data_19413 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19413 _Entry.PDB_ID 2MBS 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 19413 _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 0 0 ASN HA H 0 4.771 4.771 4.348 0.423 19413 2 1 1 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.887 -0.599 19413 3 1 1 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.607 0.314 19413 4 1 1 . 1 1 1 1 ALA N N 1 125.275 125.275 120.059 5.216 19413 5 1 1 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.846 0.473 19413 6 1 1 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.689 -1.656 19413 7 1 1 . 1 1 1 1 ALA CB C 1 19.124 19.124 18.307 0.817 19413 8 1 1 . 1 1 1 1 ALA H H 1 8.441 8.441 8.918 -0.477 19413 9 1 1 . 1 1 2 2 GLN N N 2 121.120 121.120 117.218 3.902 19413 10 1 1 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.551 -0.072 19413 11 1 1 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.750 -0.337 19413 12 1 1 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.300 -1.806 19413 13 1 1 . 1 1 2 2 GLN H H 2 8.334 8.334 8.054 0.280 19413 14 1 1 . 1 1 3 3 ILE N N 3 120.380 120.380 119.144 1.236 19413 15 1 1 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.800 -0.389 19413 16 1 1 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.163 1.630 19413 17 1 1 . 1 1 3 3 ILE CB C 3 39.691 39.691 41.026 -1.335 19413 18 1 1 . 1 1 3 3 ILE H H 3 8.197 8.197 8.350 -0.153 19413 19 1 1 . 1 1 4 4 THR N N 4 120.223 120.223 116.521 3.702 19413 20 1 1 . 1 1 4 4 THR HA H 4 4.566 4.566 4.658 -0.092 19413 21 1 1 . 1 1 4 4 THR CA C 4 61.500 61.500 61.450 0.050 19413 22 1 1 . 1 1 4 4 THR CB C 4 71.727 71.727 71.918 -0.191 19413 23 1 1 . 1 1 4 4 THR H H 4 9.119 9.119 8.967 0.152 19413 24 1 1 . 1 1 5 5 ASP N N 5 128.193 128.193 124.784 3.409 19413 25 1 1 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.107 0.039 19413 26 1 1 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.306 1.043 19413 27 1 1 . 1 1 5 5 ASP CB C 5 41.001 41.001 39.415 1.586 19413 28 1 1 . 1 1 5 5 ASP H H 5 8.510 8.510 8.628 -0.118 19413 29 1 1 . 1 1 6 6 GLY N N 6 117.400 117.400 114.896 2.504 19413 30 1 1 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.059 -0.076 19413 31 1 1 . 1 1 6 6 GLY H H 6 8.608 8.608 8.745 -0.137 19413 32 1 1 . 1 1 7 7 LYS N N 7 122.122 122.122 120.773 1.349 19413 33 1 1 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.536 0.066 19413 34 1 1 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.781 -0.117 19413 35 1 1 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.573 -1.810 19413 36 1 1 . 1 1 7 7 LYS H H 7 8.131 8.131 7.756 0.375 19413 37 1 1 . 1 1 8 8 GLN N N 8 115.920 115.920 116.127 -0.207 19413 38 1 1 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.578 -0.449 19413 39 1 1 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.688 1.379 19413 40 1 1 . 1 1 8 8 GLN CB C 8 27.086 27.086 29.920 -2.834 19413 41 1 1 . 1 1 8 8 GLN H H 8 8.548 8.548 8.141 0.407 19413 42 1 1 . 1 1 9 9 TYR N N 9 112.118 112.118 113.971 -1.853 19413 43 1 1 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.479 -0.361 19413 44 1 1 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.661 -0.923 19413 45 1 1 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.451 -0.274 19413 46 1 1 . 1 1 9 9 TYR H H 9 7.572 7.572 7.452 0.120 19413 47 1 1 . 1 1 10 10 ILE N N 10 119.488 119.488 118.575 0.913 19413 48 1 1 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.592 -0.011 19413 49 1 1 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.352 0.646 19413 50 1 1 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.650 0.353 19413 51 1 1 . 1 1 10 10 ILE H H 10 9.365 9.365 9.223 0.142 19413 52 1 1 . 1 1 11 11 THR N N 11 126.054 126.054 117.845 8.209 19413 53 1 1 . 1 1 11 11 THR HA H 11 4.837 4.837 4.745 0.091 19413 54 1 1 . 1 1 11 11 THR CA C 11 63.376 63.376 62.414 0.962 19413 55 1 1 . 1 1 11 11 THR CB C 11 68.487 68.487 69.370 -0.882 19413 56 1 1 . 1 1 11 11 THR H H 11 9.153 9.153 8.251 0.902 19413 57 1 1 . 1 1 12 12 LEU N N 12 129.370 129.370 123.407 5.963 19413 58 1 1 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.147 0.102 19413 59 1 1 . 1 1 12 12 LEU CA C 12 55.286 55.286 55.353 -0.067 19413 60 1 1 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.325 -0.819 19413 61 1 1 . 1 1 12 12 LEU H H 12 8.636 8.636 8.362 0.274 19413 62 1 1 . 1 1 13 13 ASP N N 13 122.179 122.179 121.392 0.787 19413 63 1 1 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.438 0.000 19413 64 1 1 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.976 -0.252 19413 65 1 1 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.300 -0.415 19413 66 1 1 . 1 1 13 13 ASP H H 13 8.494 8.494 8.694 -0.200 19413 67 1 1 . 1 1 14 14 LYS N N 14 119.361 119.361 119.451 -0.090 19413 68 1 1 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.741 0.021 19413 69 1 1 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.502 -1.015 19413 70 1 1 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.734 -0.831 19413 71 1 1 . 1 1 14 14 LYS H H 14 7.714 7.714 8.211 -0.497 19413 72 1 1 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.420 0.183 19413 73 1 1 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.893 -0.632 19413 74 1 1 . 1 1 15 15 PRO CB C 15 32.697 32.697 31.233 1.464 19413 75 1 1 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.321 0.041 19413 76 1 1 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.952 -2.376 19413 77 1 1 . 1 1 16 16 ILE CB C 16 38.242 38.242 40.086 -1.844 19413 78 1 1 . 1 1 17 17 ALA N N 17 130.287 130.287 125.719 4.568 19413 79 1 1 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.105 0.243 19413 80 1 1 . 1 1 17 17 ALA CA C 17 52.651 52.651 51.867 0.784 19413 81 1 1 . 1 1 17 17 ALA CB C 17 19.344 19.344 17.832 1.512 19413 82 1 1 . 1 1 17 17 ALA H H 17 8.396 8.396 8.379 0.017 19413 83 1 1 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.540 -0.322 19413 84 1 1 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.410 -0.009 19413 85 1 1 . 1 1 20 20 PRO CA C 20 63.392 63.392 63.238 0.154 19413 86 1 1 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.267 -0.589 19413 87 1 1 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.532 0.506 19413 88 1 1 . 1 1 23 23 LEU CA C 23 52.966 52.966 53.629 -0.663 19413 89 1 1 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.201 -0.088 19413 90 1 1 . 1 1 24 24 GLU N N 24 127.720 127.720 119.687 8.033 19413 91 1 1 . 1 1 24 24 GLU HA H 24 5.605 5.605 4.731 0.874 19413 92 1 1 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.151 -1.713 19413 93 1 1 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.026 1.677 19413 94 1 1 . 1 1 24 24 GLU H H 24 8.973 8.973 7.889 1.084 19413 95 1 1 . 1 1 25 25 PHE N N 25 121.108 121.108 122.198 -1.090 19413 96 1 1 . 1 1 25 25 PHE HA H 25 6.066 6.066 4.357 1.709 19413 97 1 1 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.703 -0.757 19413 98 1 1 . 1 1 25 25 PHE CB C 25 44.006 44.006 41.308 2.698 19413 99 1 1 . 1 1 25 25 PHE H H 25 9.266 9.266 8.606 0.660 19413 100 1 1 . 1 1 26 26 PHE N N 26 120.125 120.125 119.015 1.110 19413 101 1 1 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.103 -0.322 19413 102 1 1 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.491 -1.653 19413 103 1 1 . 1 1 26 26 PHE CB C 26 43.604 43.604 40.965 2.639 19413 104 1 1 . 1 1 26 26 PHE H H 26 8.957 8.957 7.995 0.962 19413 105 1 1 . 1 1 27 27 SER N N 27 109.643 109.643 114.243 -4.600 19413 106 1 1 . 1 1 27 27 SER HA H 27 3.584 3.584 4.886 -1.302 19413 107 1 1 . 1 1 27 27 SER CA C 27 54.556 54.556 55.767 -1.212 19413 108 1 1 . 1 1 27 27 SER CB C 27 64.711 64.711 66.070 -1.359 19413 109 1 1 . 1 1 27 27 SER H H 27 6.543 6.543 8.333 -1.790 19413 110 1 1 . 1 1 28 28 PHE N N 28 132.096 132.096 124.623 7.473 19413 111 1 1 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.933 0.434 19413 112 1 1 . 1 1 28 28 PHE CA C 28 62.530 62.530 57.307 5.223 19413 113 1 1 . 1 1 28 28 PHE CB C 28 38.643 38.643 37.908 0.735 19413 114 1 1 . 1 1 28 28 PHE H H 28 11.199 11.199 8.964 2.235 19413 115 1 1 . 1 1 29 29 TYR N N 29 115.582 115.582 116.786 -1.204 19413 116 1 1 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.419 -0.050 19413 117 1 1 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.142 1.703 19413 118 1 1 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.058 1.723 19413 119 1 1 . 1 1 29 29 TYR H H 29 8.619 8.619 7.659 0.960 19413 120 1 1 . 1 1 30 30 CYS N N 30 121.025 121.025 119.385 1.640 19413 121 1 1 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.718 0.288 19413 122 1 1 . 1 1 30 30 CYS CA C 30 52.459 52.459 56.427 -3.968 19413 123 1 1 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.022 19.356 19413 124 1 1 . 1 1 30 30 CYS H H 30 7.284 7.284 8.081 -0.797 19413 125 1 1 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.838 0.239 19413 126 1 1 . 1 1 31 31 PRO CA C 31 65.973 65.973 65.105 0.868 19413 127 1 1 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.489 -0.281 19413 128 1 1 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.208 0.396 19413 129 1 1 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.918 -1.471 19413 130 1 1 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.512 1.542 19413 131 1 1 . 1 1 33 33 CYS N N 33 117.365 117.365 116.003 1.362 19413 132 1 1 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.180 0.359 19413 133 1 1 . 1 1 33 33 CYS CA C 33 63.192 63.192 60.489 2.703 19413 134 1 1 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.615 8.228 19413 135 1 1 . 1 1 33 33 CYS H H 33 8.921 8.921 8.406 0.514 19413 136 1 1 . 1 1 34 34 TYR N N 34 123.491 123.491 123.057 0.434 19413 137 1 1 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.316 -1.554 19413 138 1 1 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.682 -2.249 19413 139 1 1 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.386 -0.901 19413 140 1 1 . 1 1 34 34 TYR H H 34 7.650 7.650 7.472 0.178 19413 141 1 1 . 1 1 35 35 GLN N N 35 118.639 118.639 117.711 0.928 19413 142 1 1 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.973 -0.261 19413 143 1 1 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.887 -0.477 19413 144 1 1 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.345 -0.412 19413 145 1 1 . 1 1 35 35 GLN H H 35 7.641 7.641 7.968 -0.327 19413 146 1 1 . 1 1 36 36 PHE N N 36 121.254 121.254 116.404 4.850 19413 147 1 1 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.278 -0.248 19413 148 1 1 . 1 1 36 36 PHE CA C 36 60.801 60.801 58.935 1.866 19413 149 1 1 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.329 0.590 19413 150 1 1 . 1 1 36 36 PHE H H 36 8.721 8.721 7.953 0.768 19413 151 1 1 . 1 1 37 37 GLU N N 37 116.279 116.279 115.807 0.472 19413 152 1 1 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.342 -0.015 19413 153 1 1 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.178 1.606 19413 154 1 1 . 1 1 37 37 GLU CB C 37 30.856 30.856 31.135 -0.279 19413 155 1 1 . 1 1 37 37 GLU H H 37 7.705 7.705 7.694 0.011 19413 156 1 1 . 1 1 38 38 GLU N N 38 112.285 112.285 115.093 -2.808 19413 157 1 1 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.990 0.016 19413 158 1 1 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.596 -1.018 19413 159 1 1 . 1 1 38 38 GLU CB C 38 29.783 29.783 32.300 -2.517 19413 160 1 1 . 1 1 38 38 GLU H H 38 7.870 7.870 7.547 0.323 19413 161 1 1 . 1 1 39 39 VAL N N 39 117.365 117.365 119.790 -2.425 19413 162 1 1 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.802 0.206 19413 163 1 1 . 1 1 39 39 VAL CA C 39 63.965 63.965 64.689 -0.724 19413 164 1 1 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.634 -0.274 19413 165 1 1 . 1 1 39 39 VAL H H 39 6.850 6.850 7.552 -0.702 19413 166 1 1 . 1 1 40 40 LEU N N 40 116.098 116.098 116.801 -0.703 19413 167 1 1 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.088 0.005 19413 168 1 1 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.519 -0.420 19413 169 1 1 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.152 0.961 19413 170 1 1 . 1 1 40 40 LEU H H 40 8.171 8.171 7.855 0.316 19413 171 1 1 . 1 1 41 41 HIS N N 41 111.930 111.930 114.785 -2.855 19413 172 1 1 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.211 0.295 19413 173 1 1 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.513 -1.046 19413 174 1 1 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.864 -1.261 19413 175 1 1 . 1 1 41 41 HIS H H 41 6.459 6.459 7.361 -0.902 19413 176 1 1 . 1 1 42 42 VAL N N 42 120.465 120.465 120.091 0.374 19413 177 1 1 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.547 -0.519 19413 178 1 1 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.311 1.661 19413 179 1 1 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.882 0.004 19413 180 1 1 . 1 1 42 42 VAL H H 42 8.621 8.621 8.215 0.406 19413 181 1 1 . 1 1 43 43 SER N N 43 113.968 113.968 115.316 -1.348 19413 182 1 1 . 1 1 43 43 SER HA H 43 4.002 4.002 4.123 -0.121 19413 183 1 1 . 1 1 43 43 SER CA C 43 61.242 61.242 62.484 -1.242 19413 184 1 1 . 1 1 43 43 SER CB C 43 62.565 62.565 62.948 -0.383 19413 185 1 1 . 1 1 43 43 SER H H 43 8.040 8.040 8.341 -0.301 19413 186 1 1 . 1 1 44 44 ASP N N 44 121.731 121.731 120.038 1.693 19413 187 1 1 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.394 0.020 19413 188 1 1 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.076 0.156 19413 189 1 1 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.424 0.608 19413 190 1 1 . 1 1 44 44 ASP H H 44 8.215 8.215 7.965 0.250 19413 191 1 1 . 1 1 45 45 ASN N N 45 118.906 118.906 118.249 0.657 19413 192 1 1 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.489 -0.217 19413 193 1 1 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.036 1.286 19413 194 1 1 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.815 0.812 19413 195 1 1 . 1 1 45 45 ASN H H 45 7.860 7.860 7.597 0.263 19413 196 1 1 . 1 1 46 46 VAL N N 46 119.934 119.934 119.592 0.342 19413 197 1 1 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.698 -0.233 19413 198 1 1 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.357 0.444 19413 199 1 1 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.944 -0.595 19413 200 1 1 . 1 1 46 46 VAL H H 46 8.583 8.583 8.405 0.178 19413 201 1 1 . 1 1 47 47 ARG N N 47 119.655 119.655 120.320 -0.665 19413 202 1 1 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.911 -0.090 19413 203 1 1 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.693 0.109 19413 204 1 1 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.982 0.356 19413 205 1 1 . 1 1 47 47 ARG H H 47 8.522 8.522 8.354 0.168 19413 206 1 1 . 1 1 48 48 GLN N N 48 115.072 115.072 117.443 -2.371 19413 207 1 1 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.146 -0.028 19413 208 1 1 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.210 -0.481 19413 209 1 1 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.704 0.306 19413 210 1 1 . 1 1 48 48 GLN H H 48 7.605 7.605 7.780 -0.175 19413 211 1 1 . 1 1 49 49 LYS N N 49 116.858 116.858 115.693 1.165 19413 212 1 1 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.516 -0.094 19413 213 1 1 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.530 -0.725 19413 214 1 1 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.951 -0.303 19413 215 1 1 . 1 1 49 49 LYS H H 49 7.460 7.460 8.028 -0.568 19413 216 1 1 . 1 1 50 50 LEU N N 50 119.786 119.786 123.166 -3.380 19413 217 1 1 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.274 0.125 19413 218 1 1 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.479 -0.551 19413 219 1 1 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.782 -0.828 19413 220 1 1 . 1 1 50 50 LEU H H 50 7.215 7.215 7.413 -0.198 19413 221 1 1 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.667 -0.191 19413 222 1 1 . 1 1 51 51 PRO CA C 51 62.272 62.272 61.830 0.442 19413 223 1 1 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.566 -1.112 19413 224 1 1 . 1 1 52 52 GLU N N 52 126.400 126.400 119.574 6.826 19413 225 1 1 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.327 -0.227 19413 226 1 1 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.353 1.762 19413 227 1 1 . 1 1 52 52 GLU CB C 52 29.336 29.336 27.771 1.565 19413 228 1 1 . 1 1 52 52 GLU H H 52 8.935 8.935 8.783 0.152 19413 229 1 1 . 1 1 53 53 GLY N N 53 113.671 113.671 109.346 4.325 19413 230 1 1 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.430 -0.584 19413 231 1 1 . 1 1 53 53 GLY H H 53 8.948 8.948 8.223 0.725 19413 232 1 1 . 1 1 54 54 THR N N 54 118.129 118.129 117.403 0.726 19413 233 1 1 . 1 1 54 54 THR HA H 54 4.161 4.161 3.919 0.242 19413 234 1 1 . 1 1 54 54 THR CA C 54 63.707 63.707 64.377 -0.670 19413 235 1 1 . 1 1 54 54 THR CB C 54 68.784 68.784 69.085 -0.301 19413 236 1 1 . 1 1 54 54 THR H H 54 7.696 7.696 7.580 0.116 19413 237 1 1 . 1 1 55 55 LYS N N 55 129.892 129.892 118.730 11.162 19413 238 1 1 . 1 1 55 55 LYS HA H 55 4.375 4.375 3.988 0.387 19413 239 1 1 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.999 -1.164 19413 240 1 1 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.887 0.561 19413 241 1 1 . 1 1 55 55 LYS H H 55 8.757 8.757 8.188 0.569 19413 242 1 1 . 1 1 56 56 MET N N 56 125.391 125.391 124.628 0.763 19413 243 1 1 . 1 1 56 56 MET HA H 56 5.258 5.258 4.659 0.599 19413 244 1 1 . 1 1 56 56 MET CA C 56 54.436 54.436 56.163 -1.727 19413 245 1 1 . 1 1 56 56 MET CB C 56 34.394 34.394 33.574 0.820 19413 246 1 1 . 1 1 56 56 MET H H 56 8.512 8.512 8.477 0.035 19413 247 1 1 . 1 1 57 57 THR N N 57 124.711 124.711 119.906 4.805 19413 248 1 1 . 1 1 57 57 THR HA H 57 4.390 4.390 4.588 -0.198 19413 249 1 1 . 1 1 57 57 THR CA C 57 61.942 61.942 60.971 0.971 19413 250 1 1 . 1 1 57 57 THR CB C 57 70.952 70.952 70.603 0.349 19413 251 1 1 . 1 1 57 57 THR H H 57 8.830 8.830 9.102 -0.272 19413 252 1 1 . 1 1 58 58 LYS N N 58 126.113 126.113 118.845 7.268 19413 253 1 1 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.743 0.539 19413 254 1 1 . 1 1 58 58 LYS CA C 58 54.501 54.501 56.722 -2.221 19413 255 1 1 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.562 0.855 19413 256 1 1 . 1 1 58 58 LYS H H 58 8.739 8.739 8.282 0.457 19413 257 1 1 . 1 1 59 59 TYR N N 59 127.472 127.472 123.745 3.727 19413 258 1 1 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.737 0.889 19413 259 1 1 . 1 1 59 59 TYR CA C 59 51.825 51.825 56.296 -4.471 19413 260 1 1 . 1 1 59 59 TYR CB C 59 40.685 40.685 39.808 0.877 19413 261 1 1 . 1 1 59 59 TYR H H 59 9.524 9.524 8.981 0.543 19413 262 1 1 . 1 1 60 60 HIS N N 60 123.656 123.656 115.931 7.725 19413 263 1 1 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.404 -1.020 19413 264 1 1 . 1 1 60 60 HIS CA C 60 55.467 55.467 52.992 2.474 19413 265 1 1 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.244 -1.425 19413 266 1 1 . 1 1 60 60 HIS H H 60 9.284 9.284 7.814 1.470 19413 267 1 1 . 1 1 61 61 VAL N N 61 112.397 112.397 112.904 -0.507 19413 268 1 1 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.750 -0.013 19413 269 1 1 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.743 -1.664 19413 270 1 1 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.961 -2.076 19413 271 1 1 . 1 1 61 61 VAL H H 61 6.262 6.262 8.110 -1.848 19413 272 1 1 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.559 -0.518 19413 273 1 1 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.916 -0.588 19413 274 1 1 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.387 0.365 19413 275 1 1 . 1 1 63 63 PHE N N 63 111.215 111.215 121.337 -10.122 19413 276 1 1 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.292 0.279 19413 277 1 1 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.116 -1.407 19413 278 1 1 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.059 -1.454 19413 279 1 1 . 1 1 63 63 PHE H H 63 6.419 6.419 8.135 -1.716 19413 280 1 1 . 1 1 64 64 LEU N N 64 119.701 119.701 120.369 -0.668 19413 281 1 1 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.351 0.344 19413 282 1 1 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.017 -0.204 19413 283 1 1 . 1 1 64 64 LEU CB C 64 44.338 44.338 44.800 -0.462 19413 284 1 1 . 1 1 64 64 LEU H H 64 6.396 6.396 7.277 -0.881 19413 285 1 1 . 1 1 65 65 GLY N N 65 108.957 108.957 110.583 -1.626 19413 286 1 1 . 1 1 65 65 GLY CA C 65 43.178 43.178 44.092 -0.914 19413 287 1 1 . 1 1 65 65 GLY H H 65 8.084 8.084 8.190 -0.106 19413 288 1 1 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.294 0.117 19413 289 1 1 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.892 0.103 19413 290 1 1 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.109 -0.318 19413 291 1 1 . 1 1 67 67 LEU N N 67 114.479 114.479 118.132 -3.653 19413 292 1 1 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.769 0.698 19413 293 1 1 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.688 -1.796 19413 294 1 1 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.721 -0.283 19413 295 1 1 . 1 1 67 67 LEU H H 67 7.484 7.484 7.970 -0.486 19413 296 1 1 . 1 1 68 68 GLY N N 68 108.957 108.957 109.873 -0.916 19413 297 1 1 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.395 2.112 19413 298 1 1 . 1 1 68 68 GLY H H 68 7.659 7.659 7.900 -0.241 19413 299 1 1 . 1 1 69 69 LYS N N 69 124.459 124.459 121.110 3.349 19413 300 1 1 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.107 -0.061 19413 301 1 1 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.695 2.341 19413 302 1 1 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.061 -0.469 19413 303 1 1 . 1 1 69 69 LYS H H 69 9.149 9.149 8.214 0.935 19413 304 1 1 . 1 1 70 70 ASP N N 70 122.631 122.631 121.563 1.068 19413 305 1 1 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.511 0.204 19413 306 1 1 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.100 -0.205 19413 307 1 1 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.475 1.682 19413 308 1 1 . 1 1 70 70 ASP H H 70 8.519 8.519 8.337 0.182 19413 309 1 1 . 1 1 71 71 LEU N N 71 119.276 119.276 120.351 -1.075 19413 310 1 1 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.738 0.499 19413 311 1 1 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.204 -0.927 19413 312 1 1 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.508 1.569 19413 313 1 1 . 1 1 71 71 LEU H H 71 9.421 9.421 8.441 0.980 19413 314 1 1 . 1 1 72 72 THR N N 72 119.204 119.204 111.937 7.267 19413 315 1 1 . 1 1 72 72 THR HA H 72 4.033 4.033 2.732 1.301 19413 316 1 1 . 1 1 72 72 THR CA C 72 67.403 67.403 65.316 2.087 19413 317 1 1 . 1 1 72 72 THR CB C 72 68.170 68.170 67.550 0.620 19413 318 1 1 . 1 1 72 72 THR H H 72 7.762 7.762 7.673 0.089 19413 319 1 1 . 1 1 73 73 GLN N N 73 125.845 125.845 121.252 4.593 19413 320 1 1 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.810 -0.147 19413 321 1 1 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.332 1.071 19413 322 1 1 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.078 -2.519 19413 323 1 1 . 1 1 73 73 GLN H H 73 7.822 7.822 7.413 0.409 19413 324 1 1 . 1 1 74 74 ALA N N 74 123.013 123.013 122.570 0.443 19413 325 1 1 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.191 -0.058 19413 326 1 1 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.332 -0.428 19413 327 1 1 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.502 0.648 19413 328 1 1 . 1 1 74 74 ALA H H 74 8.966 8.966 7.834 1.132 19413 329 1 1 . 1 1 75 75 TRP N N 75 120.717 120.717 119.756 0.961 19413 330 1 1 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.460 0.439 19413 331 1 1 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.297 -1.225 19413 332 1 1 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.981 -0.390 19413 333 1 1 . 1 1 75 75 TRP H H 75 8.932 8.932 8.309 0.623 19413 334 1 1 . 1 1 76 76 ALA N N 76 119.394 119.394 120.744 -1.350 19413 335 1 1 . 1 1 76 76 ALA HA H 76 3.975 3.975 4.051 -0.076 19413 336 1 1 . 1 1 76 76 ALA CA C 76 54.878 54.878 54.910 -0.032 19413 337 1 1 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.101 2.064 19413 338 1 1 . 1 1 76 76 ALA H H 76 7.650 7.650 7.941 -0.291 19413 339 1 1 . 1 1 77 77 VAL N N 77 119.658 119.658 119.742 -0.084 19413 340 1 1 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.532 -0.308 19413 341 1 1 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.293 0.615 19413 342 1 1 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.586 -1.469 19413 343 1 1 . 1 1 77 77 VAL H H 77 8.074 8.074 7.378 0.696 19413 344 1 1 . 1 1 78 78 ALA N N 78 121.951 121.951 122.509 -0.558 19413 345 1 1 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.002 0.022 19413 346 1 1 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.214 -0.373 19413 347 1 1 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.015 -0.516 19413 348 1 1 . 1 1 78 78 ALA H H 78 8.421 8.421 7.623 0.798 19413 349 1 1 . 1 1 79 79 ILE N N 79 118.384 118.384 117.785 0.599 19413 350 1 1 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.859 -0.243 19413 351 1 1 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.651 -0.667 19413 352 1 1 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.747 0.449 19413 353 1 1 . 1 1 79 79 ILE H H 79 8.122 8.122 8.222 -0.100 19413 354 1 1 . 1 1 80 80 ALA N N 80 124.708 124.708 120.548 4.160 19413 355 1 1 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.152 -0.174 19413 356 1 1 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.494 0.421 19413 357 1 1 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.821 -0.716 19413 358 1 1 . 1 1 80 80 ALA H H 80 8.694 8.694 7.418 1.276 19413 359 1 1 . 1 1 81 81 LEU N N 81 114.303 114.303 116.013 -1.710 19413 360 1 1 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.358 0.022 19413 361 1 1 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.653 -0.071 19413 362 1 1 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.824 0.388 19413 363 1 1 . 1 1 81 81 LEU H H 81 8.469 8.469 7.371 1.098 19413 364 1 1 . 1 1 82 82 GLY N N 82 112.196 112.196 108.105 4.091 19413 365 1 1 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.318 1.640 19413 366 1 1 . 1 1 82 82 GLY H H 82 7.955 7.955 8.197 -0.242 19413 367 1 1 . 1 1 83 83 VAL N N 83 109.426 109.426 112.488 -3.062 19413 368 1 1 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.378 0.543 19413 369 1 1 . 1 1 83 83 VAL CA C 83 59.182 59.182 61.225 -2.043 19413 370 1 1 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.461 -1.020 19413 371 1 1 . 1 1 83 83 VAL H H 83 8.267 8.267 7.243 1.024 19413 372 1 1 . 1 1 84 84 GLU N N 84 127.081 127.081 123.456 3.625 19413 373 1 1 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.682 -0.098 19413 374 1 1 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.831 0.525 19413 375 1 1 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.107 0.863 19413 376 1 1 . 1 1 84 84 GLU H H 84 10.566 10.566 8.430 2.136 19413 377 1 1 . 1 1 85 85 ASP N N 85 117.467 117.467 118.271 -0.804 19413 378 1 1 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.392 0.195 19413 379 1 1 . 1 1 85 85 ASP CA C 85 56.279 56.279 57.210 -0.931 19413 380 1 1 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.018 -0.286 19413 381 1 1 . 1 1 85 85 ASP H H 85 8.946 8.946 8.828 0.118 19413 382 1 1 . 1 1 86 86 LYS N N 86 119.121 119.121 116.624 2.497 19413 383 1 1 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.063 0.356 19413 384 1 1 . 1 1 86 86 LYS CA C 86 57.179 57.179 58.216 -1.037 19413 385 1 1 . 1 1 86 86 LYS CB C 86 33.426 33.426 32.730 0.696 19413 386 1 1 . 1 1 86 86 LYS H H 86 7.745 7.745 7.704 0.041 19413 387 1 1 . 1 1 87 87 ILE N N 87 108.193 108.193 110.409 -2.216 19413 388 1 1 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.450 -0.212 19413 389 1 1 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.235 -0.915 19413 390 1 1 . 1 1 87 87 ILE CB C 87 40.000 40.000 37.879 2.122 19413 391 1 1 . 1 1 87 87 ILE H H 87 7.343 7.343 7.327 0.016 19413 392 1 1 . 1 1 88 88 THR N N 88 119.455 119.455 117.273 2.182 19413 393 1 1 . 1 1 88 88 THR HA H 88 4.053 4.053 4.392 -0.339 19413 394 1 1 . 1 1 88 88 THR CA C 88 69.780 69.780 65.506 4.274 19413 395 1 1 . 1 1 88 88 THR CB C 88 68.491 68.491 69.943 -1.452 19413 396 1 1 . 1 1 88 88 THR H H 88 7.746 7.746 7.784 -0.038 19413 397 1 1 . 1 1 89 89 ALA N N 89 123.122 123.122 124.201 -1.079 19413 398 1 1 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.394 0.206 19413 399 1 1 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.738 0.553 19413 400 1 1 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.517 -1.320 19413 401 1 1 . 1 1 89 89 ALA H H 89 9.125 9.125 7.892 1.233 19413 402 1 1 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.348 0.068 19413 403 1 1 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.614 -0.393 19413 404 1 1 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.227 0.184 19413 405 1 1 . 1 1 91 91 MET N N 91 119.468 119.468 118.669 0.799 19413 406 1 1 . 1 1 91 91 MET HA H 91 4.370 4.370 4.325 0.045 19413 407 1 1 . 1 1 91 91 MET CA C 91 56.901 56.901 58.387 -1.486 19413 408 1 1 . 1 1 91 91 MET CB C 91 30.059 30.059 32.382 -2.323 19413 409 1 1 . 1 1 91 91 MET H H 91 8.176 8.176 7.784 0.392 19413 410 1 1 . 1 1 92 92 PHE N N 92 120.720 120.720 118.421 2.299 19413 411 1 1 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.267 0.251 19413 412 1 1 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.059 3.824 19413 413 1 1 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.203 1.121 19413 414 1 1 . 1 1 92 92 PHE H H 92 8.650 8.650 8.774 -0.124 19413 415 1 1 . 1 1 93 93 GLU N N 93 117.705 117.705 120.248 -2.543 19413 416 1 1 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.095 -0.029 19413 417 1 1 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.828 -0.425 19413 418 1 1 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.842 -0.200 19413 419 1 1 . 1 1 93 93 GLU H H 93 8.240 8.240 8.697 -0.457 19413 420 1 1 . 1 1 94 94 ALA N N 94 123.067 123.067 120.380 2.687 19413 421 1 1 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.648 -0.197 19413 422 1 1 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.947 0.048 19413 423 1 1 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.395 -0.392 19413 424 1 1 . 1 1 94 94 ALA H H 94 8.431 8.431 7.480 0.951 19413 425 1 1 . 1 1 95 95 VAL N N 95 115.582 115.582 117.712 -2.130 19413 426 1 1 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.685 0.037 19413 427 1 1 . 1 1 95 95 VAL CA C 95 65.804 65.804 65.154 0.650 19413 428 1 1 . 1 1 95 95 VAL CB C 95 31.739 31.739 31.559 0.180 19413 429 1 1 . 1 1 95 95 VAL H H 95 8.467 8.467 7.697 0.770 19413 430 1 1 . 1 1 96 96 GLN N N 96 113.295 113.295 118.135 -4.840 19413 431 1 1 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.183 0.368 19413 432 1 1 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.226 1.000 19413 433 1 1 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.983 0.697 19413 434 1 1 . 1 1 96 96 GLN H H 96 8.184 8.184 8.098 0.086 19413 435 1 1 . 1 1 97 97 LYS N N 97 118.621 118.621 120.332 -1.711 19413 436 1 1 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.070 0.617 19413 437 1 1 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.618 -1.459 19413 438 1 1 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.916 -0.374 19413 439 1 1 . 1 1 97 97 LYS H H 97 8.231 8.231 7.672 0.559 19413 440 1 1 . 1 1 98 98 THR N N 98 110.486 110.486 107.554 2.932 19413 441 1 1 . 1 1 98 98 THR HA H 98 4.285 4.285 4.258 0.027 19413 442 1 1 . 1 1 98 98 THR CA C 98 62.420 62.420 62.040 0.380 19413 443 1 1 . 1 1 98 98 THR CB C 98 68.343 68.343 70.098 -1.755 19413 444 1 1 . 1 1 98 98 THR H H 98 8.612 8.612 8.060 0.552 19413 445 1 1 . 1 1 99 99 GLN N N 99 115.751 115.751 118.724 -2.973 19413 446 1 1 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.177 0.008 19413 447 1 1 . 1 1 99 99 GLN CA C 99 56.986 56.986 56.850 0.136 19413 448 1 1 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.287 -0.664 19413 449 1 1 . 1 1 99 99 GLN H H 99 6.979 6.979 8.245 -1.266 19413 450 1 1 . 1 1 100 100 THR N N 100 108.660 108.660 113.432 -4.772 19413 451 1 1 . 1 1 100 100 THR HA H 100 4.350 4.350 4.341 0.009 19413 452 1 1 . 1 1 100 100 THR CA C 100 61.035 61.035 62.056 -1.021 19413 453 1 1 . 1 1 100 100 THR CB C 100 68.306 68.306 69.679 -1.373 19413 454 1 1 . 1 1 100 100 THR H H 100 8.362 8.362 8.380 -0.018 19413 455 1 1 . 1 1 101 101 VAL N N 101 121.417 121.417 123.274 -1.857 19413 456 1 1 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.758 0.435 19413 457 1 1 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.611 -2.644 19413 458 1 1 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.752 -0.403 19413 459 1 1 . 1 1 101 101 VAL H H 101 7.376 7.376 7.763 -0.387 19413 460 1 1 . 1 1 102 102 GLN N N 102 127.472 127.472 125.094 2.378 19413 461 1 1 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.594 -0.030 19413 462 1 1 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.754 -0.638 19413 463 1 1 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.268 -1.500 19413 464 1 1 . 1 1 102 102 GLN H H 102 9.583 9.583 8.490 1.093 19413 465 1 1 . 1 1 103 103 SER N N 103 116.698 116.698 114.808 1.890 19413 466 1 1 . 1 1 103 103 SER HA H 103 4.883 4.883 4.785 0.098 19413 467 1 1 . 1 1 103 103 SER CA C 103 56.423 56.423 56.332 0.091 19413 468 1 1 . 1 1 103 103 SER CB C 103 66.834 66.834 66.076 0.758 19413 469 1 1 . 1 1 103 103 SER H H 103 8.539 8.539 8.363 0.176 19413 470 1 1 . 1 1 104 104 VAL N N 104 120.375 120.375 122.597 -2.222 19413 471 1 1 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.608 0.132 19413 472 1 1 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.991 -1.235 19413 473 1 1 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.565 -0.636 19413 474 1 1 . 1 1 104 104 VAL H H 104 8.929 8.929 8.933 -0.004 19413 475 1 1 . 1 1 105 105 ALA N N 105 125.255 125.255 120.656 4.599 19413 476 1 1 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.925 0.075 19413 477 1 1 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.830 0.076 19413 478 1 1 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.543 0.510 19413 479 1 1 . 1 1 105 105 ALA H H 105 8.099 8.099 8.405 -0.306 19413 480 1 1 . 1 1 106 106 ASP N N 106 118.317 118.317 118.145 0.172 19413 481 1 1 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.499 -0.124 19413 482 1 1 . 1 1 106 106 ASP CA C 106 56.664 56.664 57.124 -0.460 19413 483 1 1 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.360 1.407 19413 484 1 1 . 1 1 106 106 ASP H H 106 7.603 7.603 8.081 -0.478 19413 485 1 1 . 1 1 107 107 ILE N N 107 120.210 120.210 119.658 0.552 19413 486 1 1 . 1 1 107 107 ILE HA H 107 3.331 3.331 4.005 -0.674 19413 487 1 1 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.539 1.070 19413 488 1 1 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.114 -0.224 19413 489 1 1 . 1 1 107 107 ILE H H 107 7.342 7.342 7.496 -0.154 19413 490 1 1 . 1 1 108 108 ARG N N 108 119.234 119.234 118.794 0.440 19413 491 1 1 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.427 -0.630 19413 492 1 1 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.035 0.621 19413 493 1 1 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.180 1.662 19413 494 1 1 . 1 1 108 108 ARG H H 108 6.677 6.677 8.234 -1.557 19413 495 1 1 . 1 1 109 109 LYS N N 109 117.662 117.662 120.815 -3.153 19413 496 1 1 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.000 -0.154 19413 497 1 1 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.785 -0.566 19413 498 1 1 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.055 -0.081 19413 499 1 1 . 1 1 109 109 LYS H H 109 7.164 7.164 7.494 -0.330 19413 500 1 1 . 1 1 110 110 VAL N N 110 118.257 118.257 119.632 -1.375 19413 501 1 1 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.907 -0.266 19413 502 1 1 . 1 1 110 110 VAL CA C 110 66.062 66.062 65.787 0.275 19413 503 1 1 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.644 -0.420 19413 504 1 1 . 1 1 110 110 VAL H H 110 7.269 7.269 7.676 -0.407 19413 505 1 1 . 1 1 111 111 PHE N N 111 118.699 118.699 118.255 0.444 19413 506 1 1 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.172 -0.262 19413 507 1 1 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.561 -1.081 19413 508 1 1 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.026 0.397 19413 509 1 1 . 1 1 111 111 PHE H H 111 7.411 7.411 7.894 -0.483 19413 510 1 1 . 1 1 112 112 VAL N N 112 121.527 121.527 120.084 1.443 19413 511 1 1 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.917 0.694 19413 512 1 1 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.801 -1.082 19413 513 1 1 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.577 -0.206 19413 514 1 1 . 1 1 112 112 VAL H H 112 8.424 8.424 7.635 0.789 19413 515 1 1 . 1 1 113 113 ASP N N 113 124.032 124.032 121.613 2.419 19413 516 1 1 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.380 0.067 19413 517 1 1 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.014 -0.335 19413 518 1 1 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.271 -0.991 19413 519 1 1 . 1 1 113 113 ASP H H 113 9.048 9.048 8.670 0.378 19413 520 1 1 . 1 1 114 114 ALA N N 114 121.399 121.399 119.602 1.797 19413 521 1 1 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.240 0.227 19413 522 1 1 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.546 -0.668 19413 523 1 1 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.703 -1.089 19413 524 1 1 . 1 1 114 114 ALA H H 114 7.505 7.505 8.125 -0.620 19413 525 1 1 . 1 1 115 115 GLY N N 115 105.755 105.755 106.200 -0.445 19413 526 1 1 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.509 0.594 19413 527 1 1 . 1 1 115 115 GLY H H 115 7.895 7.895 7.670 0.225 19413 528 1 1 . 1 1 116 116 VAL N N 116 124.542 124.542 119.870 4.672 19413 529 1 1 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.316 -0.296 19413 530 1 1 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.386 1.215 19413 531 1 1 . 1 1 116 116 VAL CB C 116 31.739 31.739 33.988 -2.249 19413 532 1 1 . 1 1 116 116 VAL H H 116 8.095 8.095 7.755 0.340 19413 533 1 1 . 1 1 117 117 LYS N N 117 128.363 128.363 127.159 1.204 19413 534 1 1 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.269 -0.086 19413 535 1 1 . 1 1 117 117 LYS CA C 117 57.085 57.085 56.700 0.385 19413 536 1 1 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.082 -1.270 19413 537 1 1 . 1 1 117 117 LYS H H 117 9.102 9.102 9.024 0.078 19413 538 1 1 . 1 1 118 118 GLY N N 118 116.049 116.049 110.297 5.752 19413 539 1 1 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.855 0.813 19413 540 1 1 . 1 1 118 118 GLY H H 118 9.300 9.300 8.686 0.614 19413 541 1 1 . 1 1 119 119 GLU N N 119 118.512 118.512 119.151 -0.639 19413 542 1 1 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.330 -0.104 19413 543 1 1 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.669 0.855 19413 544 1 1 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.461 -0.648 19413 545 1 1 . 1 1 119 119 GLU H H 119 9.501 9.501 8.503 0.998 19413 546 1 1 . 1 1 120 120 ASP N N 120 121.262 121.262 120.744 0.518 19413 547 1 1 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.447 0.132 19413 548 1 1 . 1 1 120 120 ASP CA C 120 56.559 56.559 57.440 -0.881 19413 549 1 1 . 1 1 120 120 ASP CB C 120 39.632 39.632 40.709 -1.077 19413 550 1 1 . 1 1 120 120 ASP H H 120 7.088 7.088 7.671 -0.583 19413 551 1 1 . 1 1 121 121 TYR N N 121 123.619 123.619 120.336 3.283 19413 552 1 1 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.141 -0.419 19413 553 1 1 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.215 -0.064 19413 554 1 1 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.662 -0.660 19413 555 1 1 . 1 1 121 121 TYR H H 121 7.986 7.986 7.837 0.149 19413 556 1 1 . 1 1 122 122 ASP N N 122 119.702 119.702 118.865 0.837 19413 557 1 1 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.489 -0.235 19413 558 1 1 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.157 0.965 19413 559 1 1 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.815 -1.204 19413 560 1 1 . 1 1 122 122 ASP H H 122 8.812 8.812 7.966 0.846 19413 561 1 1 . 1 1 123 123 ALA N N 123 121.138 121.138 122.268 -1.130 19413 562 1 1 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.218 0.008 19413 563 1 1 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.333 -0.103 19413 564 1 1 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.118 -0.992 19413 565 1 1 . 1 1 123 123 ALA H H 123 7.696 7.696 7.948 -0.252 19413 566 1 1 . 1 1 124 124 ALA N N 124 120.299 120.299 122.487 -2.188 19413 567 1 1 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.079 0.027 19413 568 1 1 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.795 -0.470 19413 569 1 1 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.161 0.404 19413 570 1 1 . 1 1 124 124 ALA H H 124 7.935 7.935 8.309 -0.374 19413 571 1 1 . 1 1 125 125 TRP N N 125 121.357 121.357 119.321 2.036 19413 572 1 1 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.213 -0.737 19413 573 1 1 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.369 1.094 19413 574 1 1 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.346 -0.969 19413 575 1 1 . 1 1 125 125 TRP H H 125 8.948 8.948 8.031 0.917 19413 576 1 1 . 1 1 126 126 ASN N N 126 110.817 110.817 113.252 -2.435 19413 577 1 1 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.708 0.135 19413 578 1 1 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.836 -0.314 19413 579 1 1 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.077 0.993 19413 580 1 1 . 1 1 126 126 ASN H H 126 7.024 7.024 7.777 -0.753 19413 581 1 1 . 1 1 127 127 SER N N 127 116.650 116.650 116.046 0.604 19413 582 1 1 . 1 1 127 127 SER HA H 127 4.472 4.472 4.516 -0.044 19413 583 1 1 . 1 1 127 127 SER CA C 127 58.535 58.535 57.330 1.205 19413 584 1 1 . 1 1 127 127 SER CB C 127 65.513 65.513 65.057 0.456 19413 585 1 1 . 1 1 127 127 SER H H 127 7.831 7.831 7.793 0.038 19413 586 1 1 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.339 -0.061 19413 587 1 1 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.121 -0.066 19413 588 1 1 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.206 -0.838 19413 589 1 1 . 1 1 129 129 VAL N N 129 120.058 120.058 119.543 0.515 19413 590 1 1 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.697 0.017 19413 591 1 1 . 1 1 129 129 VAL CA C 129 65.672 65.672 67.559 -1.887 19413 592 1 1 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.476 0.302 19413 593 1 1 . 1 1 129 129 VAL H H 129 8.340 8.340 7.700 0.640 19413 594 1 1 . 1 1 130 130 VAL N N 130 122.552 122.552 118.610 3.942 19413 595 1 1 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.462 0.049 19413 596 1 1 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.762 0.072 19413 597 1 1 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.285 -0.061 19413 598 1 1 . 1 1 130 130 VAL H H 130 7.163 7.163 7.530 -0.367 19413 599 1 1 . 1 1 131 131 LYS N N 131 122.079 122.079 119.396 2.683 19413 600 1 1 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.695 0.061 19413 601 1 1 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.397 0.337 19413 602 1 1 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.270 0.248 19413 603 1 1 . 1 1 131 131 LYS H H 131 7.852 7.852 7.386 0.466 19413 604 1 1 . 1 1 132 132 SER N N 132 115.836 115.836 114.747 1.089 19413 605 1 1 . 1 1 132 132 SER HA H 132 4.155 4.155 4.166 -0.011 19413 606 1 1 . 1 1 132 132 SER CA C 132 61.022 61.022 61.381 -0.359 19413 607 1 1 . 1 1 132 132 SER CB C 132 62.309 62.309 63.143 -0.834 19413 608 1 1 . 1 1 132 132 SER H H 132 8.258 8.258 8.050 0.208 19413 609 1 1 . 1 1 133 133 LEU N N 133 124.754 124.754 122.897 1.857 19413 610 1 1 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.980 0.217 19413 611 1 1 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.935 -0.371 19413 612 1 1 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.226 1.935 19413 613 1 1 . 1 1 133 133 LEU H H 133 8.140 8.140 8.007 0.133 19413 614 1 1 . 1 1 134 134 VAL N N 134 123.461 123.461 119.686 3.775 19413 615 1 1 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.830 -0.549 19413 616 1 1 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.471 2.386 19413 617 1 1 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.570 -0.714 19413 618 1 1 . 1 1 134 134 VAL H H 134 8.718 8.718 8.601 0.117 19413 619 1 1 . 1 1 135 135 ALA N N 135 121.739 121.739 120.119 1.620 19413 620 1 1 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.999 0.165 19413 621 1 1 . 1 1 135 135 ALA CA C 135 54.929 54.929 54.576 0.353 19413 622 1 1 . 1 1 135 135 ALA CB C 135 17.426 17.426 17.987 -0.561 19413 623 1 1 . 1 1 135 135 ALA H H 135 7.513 7.513 7.669 -0.156 19413 624 1 1 . 1 1 136 136 GLN N N 136 119.033 119.033 116.825 2.208 19413 625 1 1 . 1 1 136 136 GLN HA H 136 4.076 4.076 4.012 0.064 19413 626 1 1 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.770 0.339 19413 627 1 1 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.663 0.422 19413 628 1 1 . 1 1 136 136 GLN H H 136 8.473 8.473 7.822 0.651 19413 629 1 1 . 1 1 137 137 GLN N N 137 119.734 119.734 118.497 1.237 19413 630 1 1 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.239 -0.727 19413 631 1 1 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.154 1.728 19413 632 1 1 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.446 2.397 19413 633 1 1 . 1 1 137 137 GLN H H 137 7.995 7.995 7.684 0.311 19413 634 1 1 . 1 1 138 138 GLU N N 138 121.309 121.309 117.334 3.975 19413 635 1 1 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.127 -0.192 19413 636 1 1 . 1 1 138 138 GLU CA C 138 58.977 58.977 57.768 1.209 19413 637 1 1 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.374 -0.409 19413 638 1 1 . 1 1 138 138 GLU H H 138 8.291 8.291 8.185 0.106 19413 639 1 1 . 1 1 139 139 LYS N N 139 122.121 122.121 117.427 4.694 19413 640 1 1 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.417 -0.300 19413 641 1 1 . 1 1 139 139 LYS CA C 139 58.924 58.924 56.894 2.030 19413 642 1 1 . 1 1 139 139 LYS CB C 139 32.592 32.592 33.805 -1.213 19413 643 1 1 . 1 1 139 139 LYS H H 139 8.603 8.603 7.838 0.765 19413 644 1 1 . 1 1 140 140 ALA N N 140 120.286 120.286 120.536 -0.250 19413 645 1 1 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.853 -0.443 19413 646 1 1 . 1 1 140 140 ALA CA C 140 55.063 55.063 52.951 2.112 19413 647 1 1 . 1 1 140 140 ALA CB C 140 18.446 18.446 20.159 -1.713 19413 648 1 1 . 1 1 140 140 ALA H H 140 8.140 8.140 7.919 0.221 19413 649 1 1 . 1 1 141 141 ALA N N 141 116.994 116.994 120.670 -3.676 19413 650 1 1 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.194 -0.546 19413 651 1 1 . 1 1 141 141 ALA CA C 141 54.515 54.515 53.284 1.231 19413 652 1 1 . 1 1 141 141 ALA CB C 141 18.001 18.001 19.636 -1.635 19413 653 1 1 . 1 1 141 141 ALA H H 141 7.251 7.251 8.161 -0.910 19413 654 1 1 . 1 1 142 142 ALA N N 142 121.272 121.272 120.761 0.511 19413 655 1 1 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.054 0.130 19413 656 1 1 . 1 1 142 142 ALA CA C 142 54.657 54.657 54.508 0.149 19413 657 1 1 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.453 -0.237 19413 658 1 1 . 1 1 142 142 ALA H H 142 7.940 7.940 7.589 0.351 19413 659 1 1 . 1 1 143 143 ASP N N 143 121.599 121.599 118.572 3.027 19413 660 1 1 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.575 -0.239 19413 661 1 1 . 1 1 143 143 ASP CA C 143 56.975 56.975 53.803 3.172 19413 662 1 1 . 1 1 143 143 ASP CB C 143 40.035 40.035 39.975 0.060 19413 663 1 1 . 1 1 143 143 ASP H H 143 9.272 9.272 8.271 1.001 19413 664 1 1 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.950 0.161 19413 665 1 1 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.682 -1.135 19413 666 1 1 . 1 1 144 144 LEU CB C 144 41.055 41.055 39.289 1.766 19413 667 1 1 . 1 1 145 145 GLN N N 145 116.940 116.940 116.253 0.687 19413 668 1 1 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.372 -0.620 19413 669 1 1 . 1 1 145 145 GLN CA C 145 55.823 55.823 55.698 0.125 19413 670 1 1 . 1 1 145 145 GLN CB C 145 26.132 26.132 30.372 -4.240 19413 671 1 1 . 1 1 145 145 GLN H H 145 7.750 7.750 8.237 -0.487 19413 672 1 1 . 1 1 146 146 LEU N N 146 119.399 119.399 118.175 1.224 19413 673 1 1 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.427 -0.541 19413 674 1 1 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.664 0.648 19413 675 1 1 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.752 -0.610 19413 676 1 1 . 1 1 146 146 LEU H H 146 7.516 7.516 7.669 -0.153 19413 677 1 1 . 1 1 147 147 GLN N N 147 123.118 123.118 121.010 2.108 19413 678 1 1 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.329 -0.182 19413 679 1 1 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.115 -0.248 19413 680 1 1 . 1 1 147 147 GLN CB C 147 30.525 30.525 30.445 0.080 19413 681 1 1 . 1 1 147 147 GLN H H 147 8.895 8.895 8.447 0.448 19413 682 1 1 . 1 1 148 148 GLY N N 148 106.555 106.555 108.780 -2.225 19413 683 1 1 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.379 0.725 19413 684 1 1 . 1 1 148 148 GLY H H 148 7.275 7.275 7.882 -0.607 19413 685 1 1 . 1 1 149 149 VAL N N 149 110.030 110.030 118.133 -8.103 19413 686 1 1 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.543 -0.072 19413 687 1 1 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.857 -1.220 19413 688 1 1 . 1 1 149 149 VAL CB C 149 34.682 34.682 31.796 2.886 19413 689 1 1 . 1 1 149 149 VAL H H 149 8.267 8.267 8.187 0.080 19413 690 1 1 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.926 -0.116 19413 691 1 1 . 1 1 150 150 PRO CA C 150 62.144 62.144 63.071 -0.926 19413 692 1 1 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.625 2.301 19413 693 1 1 . 1 1 151 151 ALA N N 151 123.567 123.567 123.239 0.328 19413 694 1 1 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.875 0.010 19413 695 1 1 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.951 -0.326 19413 696 1 1 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.696 2.151 19413 697 1 1 . 1 1 151 151 ALA H H 151 8.249 8.249 8.862 -0.613 19413 698 1 1 . 1 1 152 152 MET N N 152 121.866 121.866 119.346 2.520 19413 699 1 1 . 1 1 152 152 MET HA H 152 5.724 5.724 5.274 0.450 19413 700 1 1 . 1 1 152 152 MET CA C 152 55.487 55.487 54.500 0.987 19413 701 1 1 . 1 1 152 152 MET CB C 152 36.830 36.830 36.172 0.659 19413 702 1 1 . 1 1 152 152 MET H H 152 8.610 8.610 8.871 -0.261 19413 703 1 1 . 1 1 153 153 TYR N N 153 124.782 124.782 122.483 2.299 19413 704 1 1 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.472 0.282 19413 705 1 1 . 1 1 153 153 TYR CA C 153 56.208 56.208 54.960 1.248 19413 706 1 1 . 1 1 153 153 TYR CB C 153 42.990 42.990 40.438 2.552 19413 707 1 1 . 1 1 153 153 TYR H H 153 9.685 9.685 9.092 0.593 19413 708 1 1 . 1 1 154 154 VAL N N 154 121.914 121.914 118.894 3.020 19413 709 1 1 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.431 -0.771 19413 710 1 1 . 1 1 154 154 VAL H H 154 9.441 9.441 8.795 0.646 19413 711 1 1 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.314 0.425 19413 712 1 1 . 1 1 155 155 ASN CA C 155 54.473 54.473 53.821 0.652 19413 713 1 1 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.120 -0.966 19413 714 1 1 . 1 1 156 156 GLY N N 156 106.059 106.059 104.009 2.050 19413 715 1 1 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.035 0.152 19413 716 1 1 . 1 1 156 156 GLY H H 156 9.354 9.354 8.351 1.003 19413 717 1 1 . 1 1 157 157 LYS N N 157 114.357 114.357 113.523 0.834 19413 718 1 1 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.300 0.252 19413 719 1 1 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.695 1.060 19413 720 1 1 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.644 2.144 19413 721 1 1 . 1 1 157 157 LYS H H 157 7.877 7.877 7.987 -0.110 19413 722 1 1 . 1 1 158 158 TYR N N 158 117.900 117.900 119.968 -2.068 19413 723 1 1 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.352 0.512 19413 724 1 1 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.416 -1.560 19413 725 1 1 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.557 0.322 19413 726 1 1 . 1 1 158 158 TYR H H 158 7.876 7.876 8.414 -0.538 19413 727 1 1 . 1 1 159 159 GLN N N 159 125.094 125.094 118.473 6.621 19413 728 1 1 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.380 -0.627 19413 729 1 1 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.248 -0.842 19413 730 1 1 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.261 -1.412 19413 731 1 1 . 1 1 159 159 GLN H H 159 9.701 9.701 9.346 0.355 19413 732 1 1 . 1 1 160 160 LEU N N 160 131.941 131.941 122.224 9.717 19413 733 1 1 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.391 -0.380 19413 734 1 1 . 1 1 160 160 LEU CA C 160 53.995 53.995 54.956 -0.961 19413 735 1 1 . 1 1 160 160 LEU CB C 160 40.075 40.075 42.524 -2.449 19413 736 1 1 . 1 1 160 160 LEU H H 160 8.551 8.551 8.490 0.061 19413 737 1 1 . 1 1 161 161 ASN N N 161 118.639 118.639 120.140 -1.501 19413 738 1 1 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.314 0.182 19413 739 1 1 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.270 -0.500 19413 740 1 1 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.275 -0.364 19413 741 1 1 . 1 1 161 161 ASN H H 161 8.285 8.285 8.663 -0.378 19413 742 1 1 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.891 -0.102 19413 743 1 1 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.743 0.031 19413 744 1 1 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.221 -0.043 19413 745 1 1 . 1 1 163 163 GLN N N 163 116.006 116.006 117.098 -1.092 19413 746 1 1 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.466 -0.240 19413 747 1 1 . 1 1 163 163 GLN CA C 163 57.966 57.966 56.539 1.427 19413 748 1 1 . 1 1 163 163 GLN CB C 163 27.976 27.976 29.195 -1.219 19413 749 1 1 . 1 1 163 163 GLN H H 163 8.086 8.086 7.919 0.167 19413 750 1 1 . 1 1 164 164 GLY N N 164 107.393 107.393 108.447 -1.054 19413 751 1 1 . 1 1 164 164 GLY CA C 164 44.603 44.603 45.132 -0.529 19413 752 1 1 . 1 1 164 164 GLY H H 164 8.030 8.030 8.161 -0.131 19413 753 1 1 . 1 1 165 165 MET N N 165 119.802 119.802 118.097 1.705 19413 754 1 1 . 1 1 165 165 MET HA H 165 4.636 4.636 4.836 -0.200 19413 755 1 1 . 1 1 165 165 MET CA C 165 54.567 54.567 54.542 0.025 19413 756 1 1 . 1 1 165 165 MET CB C 165 34.464 34.464 36.772 -2.308 19413 757 1 1 . 1 1 165 165 MET H H 165 7.451 7.451 7.897 -0.446 19413 758 1 1 . 1 1 166 166 ASP N N 166 121.681 121.681 121.811 -0.130 19413 759 1 1 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.727 -0.094 19413 760 1 1 . 1 1 166 166 ASP CA C 166 54.181 54.181 55.091 -0.910 19413 761 1 1 . 1 1 166 166 ASP CB C 166 40.653 40.653 40.539 0.114 19413 762 1 1 . 1 1 166 166 ASP H H 166 8.694 8.694 8.749 -0.055 19413 763 1 1 . 1 1 167 167 THR N N 167 112.609 112.609 119.182 -6.573 19413 764 1 1 . 1 1 167 167 THR HA H 167 4.224 4.224 4.741 -0.517 19413 765 1 1 . 1 1 167 167 THR CA C 167 60.340 60.340 60.859 -0.519 19413 766 1 1 . 1 1 167 167 THR CB C 167 68.416 68.416 68.432 -0.016 19413 767 1 1 . 1 1 167 167 THR H H 167 7.860 7.860 8.124 -0.264 19413 768 1 1 . 1 1 168 168 SER N N 168 118.936 118.936 118.850 0.086 19413 769 1 1 . 1 1 168 168 SER HA H 168 4.158 4.158 4.462 -0.304 19413 770 1 1 . 1 1 168 168 SER CA C 168 60.874 60.874 60.595 0.279 19413 771 1 1 . 1 1 168 168 SER CB C 168 63.123 63.123 63.938 -0.815 19413 772 1 1 . 1 1 168 168 SER H H 168 8.739 8.739 8.717 0.022 19413 773 1 1 . 1 1 169 169 ASN N N 169 117.875 117.875 116.889 0.986 19413 774 1 1 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.918 -0.145 19413 775 1 1 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.215 -0.867 19413 776 1 1 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.779 0.913 19413 777 1 1 . 1 1 169 169 ASN H H 169 7.341 7.341 8.578 -1.237 19413 778 1 1 . 1 1 170 170 MET N N 170 123.431 123.431 115.292 8.139 19413 779 1 1 . 1 1 170 170 MET HA H 170 4.600 4.600 4.099 0.501 19413 780 1 1 . 1 1 170 170 MET CA C 170 57.233 57.233 57.483 -0.250 19413 781 1 1 . 1 1 170 170 MET CB C 170 32.751 32.751 30.095 2.656 19413 782 1 1 . 1 1 170 170 MET H H 170 9.186 9.186 8.365 0.821 19413 783 1 1 . 1 1 171 171 ASP N N 171 120.825 120.825 121.363 -0.538 19413 784 1 1 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.473 0.020 19413 785 1 1 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.760 -0.254 19413 786 1 1 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.981 -1.193 19413 787 1 1 . 1 1 171 171 ASP H H 171 8.232 8.232 8.179 0.053 19413 788 1 1 . 1 1 172 172 VAL N N 172 122.666 122.666 118.397 4.269 19413 789 1 1 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.855 -0.077 19413 790 1 1 . 1 1 172 172 VAL CA C 172 65.539 65.539 64.373 1.166 19413 791 1 1 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.759 0.097 19413 792 1 1 . 1 1 172 172 VAL H H 172 7.872 7.872 7.951 -0.079 19413 793 1 1 . 1 1 173 173 PHE N N 173 121.872 121.872 122.617 -0.745 19413 794 1 1 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.403 -0.023 19413 795 1 1 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.359 0.105 19413 796 1 1 . 1 1 173 173 PHE CB C 173 39.274 39.274 39.328 -0.054 19413 797 1 1 . 1 1 173 173 PHE H H 173 8.250 8.250 7.708 0.542 19413 798 1 1 . 1 1 174 174 VAL N N 174 117.535 117.535 118.701 -1.166 19413 799 1 1 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.164 -0.121 19413 800 1 1 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.314 0.589 19413 801 1 1 . 1 1 174 174 VAL CB C 174 31.371 31.371 31.248 0.123 19413 802 1 1 . 1 1 174 174 VAL H H 174 8.138 8.138 8.085 0.053 19413 803 1 1 . 1 1 175 175 ALA N N 175 121.129 121.129 121.620 -0.491 19413 804 1 1 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.950 0.176 19413 805 1 1 . 1 1 175 175 ALA CA C 175 54.768 54.768 54.860 -0.092 19413 806 1 1 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.428 -0.413 19413 807 1 1 . 1 1 175 175 ALA H H 175 7.396 7.396 7.510 -0.114 19413 808 1 1 . 1 1 176 176 GLN N N 176 120.043 120.043 116.545 3.498 19413 809 1 1 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.116 -0.037 19413 810 1 1 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.763 1.199 19413 811 1 1 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.305 -1.256 19413 812 1 1 . 1 1 176 176 GLN H H 176 8.721 8.721 7.487 1.234 19413 813 1 1 . 1 1 177 177 TYR N N 177 127.981 127.981 123.283 4.698 19413 814 1 1 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.938 -0.347 19413 815 1 1 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.441 0.121 19413 816 1 1 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.021 -0.043 19413 817 1 1 . 1 1 177 177 TYR H H 177 9.002 9.002 8.322 0.680 19413 818 1 1 . 1 1 178 178 ALA N N 178 119.796 119.796 119.102 0.694 19413 819 1 1 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.942 0.088 19413 820 1 1 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.074 0.331 19413 821 1 1 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.739 0.230 19413 822 1 1 . 1 1 178 178 ALA H H 178 8.392 8.392 8.233 0.159 19413 823 1 1 . 1 1 179 179 ASP N N 179 117.823 117.823 118.625 -0.802 19413 824 1 1 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.334 0.085 19413 825 1 1 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.419 -0.123 19413 826 1 1 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.724 1.079 19413 827 1 1 . 1 1 179 179 ASP H H 179 8.379 8.379 7.614 0.765 19413 828 1 1 . 1 1 180 180 THR N N 180 117.846 117.846 116.066 1.780 19413 829 1 1 . 1 1 180 180 THR HA H 180 4.179 4.179 3.960 0.219 19413 830 1 1 . 1 1 180 180 THR CA C 180 67.378 67.378 65.857 1.521 19413 831 1 1 . 1 1 180 180 THR CB C 180 67.733 67.733 68.527 -0.794 19413 832 1 1 . 1 1 180 180 THR H H 180 8.255 8.255 7.621 0.634 19413 833 1 1 . 1 1 181 181 VAL N N 181 120.101 120.101 121.274 -1.173 19413 834 1 1 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.532 -0.351 19413 835 1 1 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.704 1.077 19413 836 1 1 . 1 1 181 181 VAL CB C 181 30.931 30.931 30.931 0.000 19413 837 1 1 . 1 1 181 181 VAL H H 181 7.772 7.772 7.717 0.055 19413 838 1 1 . 1 1 182 182 LYS N N 182 119.144 119.144 119.141 0.003 19413 839 1 1 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.928 -0.298 19413 840 1 1 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.148 1.213 19413 841 1 1 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.060 0.220 19413 842 1 1 . 1 1 182 182 LYS H H 182 7.758 7.758 7.502 0.256 19413 843 1 1 . 1 1 183 183 GLN N N 183 116.269 116.269 118.406 -2.137 19413 844 1 1 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.003 -0.018 19413 845 1 1 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.730 0.553 19413 846 1 1 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.576 0.747 19413 847 1 1 . 1 1 183 183 GLN H H 183 8.114 8.114 8.192 -0.078 19413 848 1 1 . 1 1 184 184 LEU N N 184 119.688 119.688 119.290 0.398 19413 849 1 1 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.771 -0.136 19413 850 1 1 . 1 1 184 184 LEU CA C 184 57.041 57.041 57.136 -0.095 19413 851 1 1 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.595 0.465 19413 852 1 1 . 1 1 184 184 LEU H H 184 8.000 8.000 7.688 0.312 19413 853 1 1 . 1 1 185 185 VAL N N 185 121.017 121.017 115.313 5.704 19413 854 1 1 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.822 -0.310 19413 855 1 1 . 1 1 185 185 VAL CA C 185 65.742 65.742 64.938 0.804 19413 856 1 1 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.876 -0.312 19413 857 1 1 . 1 1 185 185 VAL H H 185 8.494 8.494 7.501 0.993 19413 858 1 1 . 1 1 186 186 GLU N N 186 117.535 117.535 116.497 1.038 19413 859 1 1 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.330 -0.210 19413 860 1 1 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.904 0.255 19413 861 1 1 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.892 -0.103 19413 862 1 1 . 1 1 186 186 GLU H H 186 7.541 7.541 7.572 -0.031 19413 863 1 1 . 1 1 187 187 LYS N N 187 121.929 121.929 119.763 2.166 19413 864 1 1 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.285 -0.159 19413 865 1 1 . 1 1 187 187 LYS CA C 187 57.748 57.748 56.010 1.738 19413 866 1 1 . 1 1 187 187 LYS CB C 187 32.718 32.718 32.165 0.553 19413 867 1 1 . 1 1 187 187 LYS H H 187 7.358 7.358 7.230 0.128 19413 868 1 2 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.514 0.257 19413 869 1 2 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.843 -0.555 19413 870 1 2 . 1 1 0 0 ASN CB C 0 38.921 38.921 37.762 1.159 19413 871 1 2 . 1 1 1 1 ALA N N 1 125.275 125.275 122.557 2.718 19413 872 1 2 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.352 -0.033 19413 873 1 2 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.181 -0.148 19413 874 1 2 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.983 1.141 19413 875 1 2 . 1 1 1 1 ALA H H 1 8.441 8.441 7.888 0.553 19413 876 1 2 . 1 1 2 2 GLN N N 2 121.120 121.120 119.601 1.519 19413 877 1 2 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.559 -0.080 19413 878 1 2 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.389 0.024 19413 879 1 2 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.983 -2.489 19413 880 1 2 . 1 1 2 2 GLN H H 2 8.334 8.334 7.912 0.422 19413 881 1 2 . 1 1 3 3 ILE N N 3 120.380 120.380 120.779 -0.399 19413 882 1 2 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.660 -0.249 19413 883 1 2 . 1 1 3 3 ILE CA C 3 60.793 60.793 60.035 0.758 19413 884 1 2 . 1 1 3 3 ILE CB C 3 39.691 39.691 39.603 0.088 19413 885 1 2 . 1 1 3 3 ILE H H 3 8.197 8.197 8.345 -0.148 19413 886 1 2 . 1 1 4 4 THR N N 4 120.223 120.223 117.042 3.181 19413 887 1 2 . 1 1 4 4 THR HA H 4 4.566 4.566 4.536 0.030 19413 888 1 2 . 1 1 4 4 THR CA C 4 61.500 61.500 61.552 -0.052 19413 889 1 2 . 1 1 4 4 THR CB C 4 71.727 71.727 71.530 0.197 19413 890 1 2 . 1 1 4 4 THR H H 4 9.119 9.119 8.207 0.912 19413 891 1 2 . 1 1 5 5 ASP N N 5 128.193 128.193 123.504 4.689 19413 892 1 2 . 1 1 5 5 ASP HA H 5 3.146 3.146 2.963 0.183 19413 893 1 2 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.483 0.867 19413 894 1 2 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.373 0.627 19413 895 1 2 . 1 1 5 5 ASP H H 5 8.510 8.510 8.533 -0.023 19413 896 1 2 . 1 1 6 6 GLY N N 6 117.400 117.400 112.733 4.667 19413 897 1 2 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.929 -0.947 19413 898 1 2 . 1 1 6 6 GLY H H 6 8.608 8.608 8.625 -0.017 19413 899 1 2 . 1 1 7 7 LYS N N 7 122.122 122.122 121.607 0.515 19413 900 1 2 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.285 0.317 19413 901 1 2 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.537 -0.873 19413 902 1 2 . 1 1 7 7 LYS CB C 7 31.763 31.763 32.994 -1.231 19413 903 1 2 . 1 1 7 7 LYS H H 7 8.131 8.131 7.397 0.734 19413 904 1 2 . 1 1 8 8 GLN N N 8 115.920 115.920 114.927 0.993 19413 905 1 2 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.478 -0.349 19413 906 1 2 . 1 1 8 8 GLN CA C 8 59.067 59.067 56.588 2.479 19413 907 1 2 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.598 -3.512 19413 908 1 2 . 1 1 8 8 GLN H H 8 8.548 8.548 7.612 0.936 19413 909 1 2 . 1 1 9 9 TYR N N 9 112.118 112.118 114.279 -2.161 19413 910 1 2 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.411 -0.293 19413 911 1 2 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.962 -1.224 19413 912 1 2 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.295 -0.118 19413 913 1 2 . 1 1 9 9 TYR H H 9 7.572 7.572 7.395 0.177 19413 914 1 2 . 1 1 10 10 ILE N N 10 119.488 119.488 119.013 0.475 19413 915 1 2 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.519 0.062 19413 916 1 2 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.401 0.597 19413 917 1 2 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.182 0.821 19413 918 1 2 . 1 1 10 10 ILE H H 10 9.365 9.365 9.221 0.144 19413 919 1 2 . 1 1 11 11 THR N N 11 126.054 126.054 118.224 7.830 19413 920 1 2 . 1 1 11 11 THR HA H 11 4.837 4.837 4.980 -0.143 19413 921 1 2 . 1 1 11 11 THR CA C 11 63.376 63.376 61.549 1.827 19413 922 1 2 . 1 1 11 11 THR CB C 11 68.487 68.487 69.963 -1.476 19413 923 1 2 . 1 1 11 11 THR H H 11 9.153 9.153 8.282 0.871 19413 924 1 2 . 1 1 12 12 LEU N N 12 129.370 129.370 123.638 5.732 19413 925 1 2 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.555 -0.306 19413 926 1 2 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.300 0.986 19413 927 1 2 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.599 -1.093 19413 928 1 2 . 1 1 12 12 LEU H H 12 8.636 8.636 8.049 0.587 19413 929 1 2 . 1 1 13 13 ASP N N 13 122.179 122.179 122.377 -0.198 19413 930 1 2 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.494 -0.056 19413 931 1 2 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.798 -0.074 19413 932 1 2 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.401 -0.516 19413 933 1 2 . 1 1 13 13 ASP H H 13 8.494 8.494 8.458 0.036 19413 934 1 2 . 1 1 14 14 LYS N N 14 119.361 119.361 120.186 -0.825 19413 935 1 2 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.676 0.086 19413 936 1 2 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.749 -1.262 19413 937 1 2 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.639 -0.736 19413 938 1 2 . 1 1 14 14 LYS H H 14 7.714 7.714 8.131 -0.417 19413 939 1 2 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.510 0.093 19413 940 1 2 . 1 1 15 15 PRO CA C 15 62.261 62.261 63.066 -0.805 19413 941 1 2 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.353 2.344 19413 942 1 2 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.186 0.176 19413 943 1 2 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.960 -2.384 19413 944 1 2 . 1 1 16 16 ILE CB C 16 38.242 38.242 40.555 -2.313 19413 945 1 2 . 1 1 17 17 ALA N N 17 130.287 130.287 128.427 1.860 19413 946 1 2 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.172 0.176 19413 947 1 2 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.879 -0.228 19413 948 1 2 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.832 0.512 19413 949 1 2 . 1 1 17 17 ALA H H 17 8.396 8.396 8.556 -0.160 19413 950 1 2 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.402 0.816 19413 951 1 2 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.239 0.162 19413 952 1 2 . 1 1 20 20 PRO CA C 20 63.392 63.392 63.297 0.095 19413 953 1 2 . 1 1 20 20 PRO CB C 20 31.678 31.678 30.582 1.096 19413 954 1 2 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.893 0.145 19413 955 1 2 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.730 -1.764 19413 956 1 2 . 1 1 23 23 LEU CB C 23 46.113 46.113 45.882 0.231 19413 957 1 2 . 1 1 24 24 GLU N N 24 127.720 127.720 117.902 9.818 19413 958 1 2 . 1 1 24 24 GLU HA H 24 5.605 5.605 4.966 0.639 19413 959 1 2 . 1 1 24 24 GLU CA C 24 53.438 53.438 53.563 -0.126 19413 960 1 2 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.709 0.995 19413 961 1 2 . 1 1 24 24 GLU H H 24 8.973 8.973 8.072 0.901 19413 962 1 2 . 1 1 25 25 PHE N N 25 121.108 121.108 117.971 3.137 19413 963 1 2 . 1 1 25 25 PHE HA H 25 6.066 6.066 4.593 1.473 19413 964 1 2 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.117 -1.172 19413 965 1 2 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.029 0.977 19413 966 1 2 . 1 1 25 25 PHE H H 25 9.266 9.266 8.610 0.656 19413 967 1 2 . 1 1 26 26 PHE N N 26 120.125 120.125 120.281 -0.156 19413 968 1 2 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.916 -0.135 19413 969 1 2 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.237 -1.399 19413 970 1 2 . 1 1 26 26 PHE CB C 26 43.604 43.604 43.182 0.422 19413 971 1 2 . 1 1 26 26 PHE H H 26 8.957 8.957 7.990 0.967 19413 972 1 2 . 1 1 27 27 SER N N 27 109.643 109.643 114.236 -4.593 19413 973 1 2 . 1 1 27 27 SER HA H 27 3.584 3.584 4.038 -0.454 19413 974 1 2 . 1 1 27 27 SER CA C 27 54.556 54.556 55.022 -0.466 19413 975 1 2 . 1 1 27 27 SER CB C 27 64.711 64.711 65.653 -0.942 19413 976 1 2 . 1 1 27 27 SER H H 27 6.543 6.543 8.376 -1.833 19413 977 1 2 . 1 1 28 28 PHE N N 28 132.096 132.096 122.795 9.301 19413 978 1 2 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.595 0.772 19413 979 1 2 . 1 1 28 28 PHE CA C 28 62.530 62.530 56.788 5.742 19413 980 1 2 . 1 1 28 28 PHE CB C 28 38.643 38.643 37.743 0.900 19413 981 1 2 . 1 1 28 28 PHE H H 28 11.199 11.199 8.684 2.515 19413 982 1 2 . 1 1 29 29 TYR N N 29 115.582 115.582 117.583 -2.001 19413 983 1 2 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.511 -0.142 19413 984 1 2 . 1 1 29 29 TYR CA C 29 59.845 59.845 57.826 2.019 19413 985 1 2 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.224 1.556 19413 986 1 2 . 1 1 29 29 TYR H H 29 8.619 8.619 7.733 0.886 19413 987 1 2 . 1 1 30 30 CYS N N 30 121.025 121.025 118.390 2.635 19413 988 1 2 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.974 0.032 19413 989 1 2 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.106 -2.647 19413 990 1 2 . 1 1 30 30 CYS CB C 30 46.378 46.378 28.481 17.897 19413 991 1 2 . 1 1 30 30 CYS H H 30 7.284 7.284 7.731 -0.447 19413 992 1 2 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.765 0.312 19413 993 1 2 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.632 1.341 19413 994 1 2 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.385 -0.177 19413 995 1 2 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.212 0.392 19413 996 1 2 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.487 -2.040 19413 997 1 2 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.848 1.206 19413 998 1 2 . 1 1 33 33 CYS N N 33 117.365 117.365 117.521 -0.156 19413 999 1 2 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.156 0.383 19413 1000 1 2 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.439 0.753 19413 1001 1 2 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.011 7.832 19413 1002 1 2 . 1 1 33 33 CYS H H 33 8.921 8.921 8.419 0.502 19413 1003 1 2 . 1 1 34 34 TYR N N 34 123.491 123.491 120.871 2.620 19413 1004 1 2 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.272 -1.510 19413 1005 1 2 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.392 -1.959 19413 1006 1 2 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.327 -0.842 19413 1007 1 2 . 1 1 34 34 TYR H H 34 7.650 7.650 7.645 0.005 19413 1008 1 2 . 1 1 35 35 GLN N N 35 118.639 118.639 116.612 2.027 19413 1009 1 2 . 1 1 35 35 GLN HA H 35 3.712 3.712 4.028 -0.316 19413 1010 1 2 . 1 1 35 35 GLN CA C 35 58.410 58.410 59.166 -0.756 19413 1011 1 2 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.534 -0.601 19413 1012 1 2 . 1 1 35 35 GLN H H 35 7.641 7.641 7.897 -0.256 19413 1013 1 2 . 1 1 36 36 PHE N N 36 121.254 121.254 117.844 3.410 19413 1014 1 2 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.261 -0.231 19413 1015 1 2 . 1 1 36 36 PHE CA C 36 60.801 60.801 59.901 0.900 19413 1016 1 2 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.491 0.428 19413 1017 1 2 . 1 1 36 36 PHE H H 36 8.721 8.721 8.440 0.281 19413 1018 1 2 . 1 1 37 37 GLU N N 37 116.279 116.279 116.171 0.108 19413 1019 1 2 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.244 0.083 19413 1020 1 2 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.358 1.426 19413 1021 1 2 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.414 0.442 19413 1022 1 2 . 1 1 37 37 GLU H H 37 7.705 7.705 7.815 -0.110 19413 1023 1 2 . 1 1 38 38 GLU N N 38 112.285 112.285 116.788 -4.503 19413 1024 1 2 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.714 0.292 19413 1025 1 2 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.983 -1.405 19413 1026 1 2 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.861 -2.078 19413 1027 1 2 . 1 1 38 38 GLU H H 38 7.870 7.870 7.911 -0.041 19413 1028 1 2 . 1 1 39 39 VAL N N 39 117.365 117.365 118.893 -1.528 19413 1029 1 2 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.063 -0.055 19413 1030 1 2 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.027 0.938 19413 1031 1 2 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.713 -0.353 19413 1032 1 2 . 1 1 39 39 VAL H H 39 6.850 6.850 7.555 -0.705 19413 1033 1 2 . 1 1 40 40 LEU N N 40 116.098 116.098 116.913 -0.815 19413 1034 1 2 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.037 0.056 19413 1035 1 2 . 1 1 40 40 LEU CA C 40 55.099 55.099 56.252 -1.153 19413 1036 1 2 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.091 1.022 19413 1037 1 2 . 1 1 40 40 LEU H H 40 8.171 8.171 7.817 0.354 19413 1038 1 2 . 1 1 41 41 HIS N N 41 111.930 111.930 114.381 -2.451 19413 1039 1 2 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.235 0.271 19413 1040 1 2 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.918 -1.451 19413 1041 1 2 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.896 -1.293 19413 1042 1 2 . 1 1 41 41 HIS H H 41 6.459 6.459 7.395 -0.936 19413 1043 1 2 . 1 1 42 42 VAL N N 42 120.465 120.465 121.448 -0.983 19413 1044 1 2 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.418 -0.390 19413 1045 1 2 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.597 1.375 19413 1046 1 2 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.107 -0.221 19413 1047 1 2 . 1 1 42 42 VAL H H 42 8.621 8.621 8.374 0.247 19413 1048 1 2 . 1 1 43 43 SER N N 43 113.968 113.968 115.615 -1.647 19413 1049 1 2 . 1 1 43 43 SER HA H 43 4.002 4.002 3.976 0.026 19413 1050 1 2 . 1 1 43 43 SER CA C 43 61.242 61.242 62.289 -1.047 19413 1051 1 2 . 1 1 43 43 SER CB C 43 62.565 62.565 62.856 -0.291 19413 1052 1 2 . 1 1 43 43 SER H H 43 8.040 8.040 7.837 0.203 19413 1053 1 2 . 1 1 44 44 ASP N N 44 121.731 121.731 119.623 2.108 19413 1054 1 2 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.461 -0.047 19413 1055 1 2 . 1 1 44 44 ASP CA C 44 57.232 57.232 56.496 0.736 19413 1056 1 2 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.673 0.359 19413 1057 1 2 . 1 1 44 44 ASP H H 44 8.215 8.215 8.732 -0.517 19413 1058 1 2 . 1 1 45 45 ASN N N 45 118.906 118.906 118.027 0.879 19413 1059 1 2 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.506 -0.234 19413 1060 1 2 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.225 1.097 19413 1061 1 2 . 1 1 45 45 ASN CB C 45 39.627 39.627 39.053 0.574 19413 1062 1 2 . 1 1 45 45 ASN H H 45 7.860 7.860 7.699 0.161 19413 1063 1 2 . 1 1 46 46 VAL N N 46 119.934 119.934 118.990 0.944 19413 1064 1 2 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.636 -0.171 19413 1065 1 2 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.672 0.129 19413 1066 1 2 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.692 -0.343 19413 1067 1 2 . 1 1 46 46 VAL H H 46 8.583 8.583 8.421 0.162 19413 1068 1 2 . 1 1 47 47 ARG N N 47 119.655 119.655 120.300 -0.645 19413 1069 1 2 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.943 -0.122 19413 1070 1 2 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.419 0.383 19413 1071 1 2 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.886 0.452 19413 1072 1 2 . 1 1 47 47 ARG H H 47 8.522 8.522 7.818 0.704 19413 1073 1 2 . 1 1 48 48 GLN N N 48 115.072 115.072 116.977 -1.905 19413 1074 1 2 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.200 -0.082 19413 1075 1 2 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.005 -0.276 19413 1076 1 2 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.641 0.369 19413 1077 1 2 . 1 1 48 48 GLN H H 48 7.605 7.605 7.771 -0.166 19413 1078 1 2 . 1 1 49 49 LYS N N 49 116.858 116.858 116.143 0.715 19413 1079 1 2 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.544 -0.122 19413 1080 1 2 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.639 -0.834 19413 1081 1 2 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.265 -0.617 19413 1082 1 2 . 1 1 49 49 LYS H H 49 7.460 7.460 8.028 -0.568 19413 1083 1 2 . 1 1 50 50 LEU N N 50 119.786 119.786 122.715 -2.929 19413 1084 1 2 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.324 0.075 19413 1085 1 2 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.539 -0.611 19413 1086 1 2 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.879 -0.925 19413 1087 1 2 . 1 1 50 50 LEU H H 50 7.215 7.215 7.334 -0.119 19413 1088 1 2 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.566 -0.090 19413 1089 1 2 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.243 0.029 19413 1090 1 2 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.201 -0.747 19413 1091 1 2 . 1 1 52 52 GLU N N 52 126.400 126.400 121.681 4.719 19413 1092 1 2 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.213 -0.113 19413 1093 1 2 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.948 1.167 19413 1094 1 2 . 1 1 52 52 GLU CB C 52 29.336 29.336 27.100 2.236 19413 1095 1 2 . 1 1 52 52 GLU H H 52 8.935 8.935 8.717 0.218 19413 1096 1 2 . 1 1 53 53 GLY N N 53 113.671 113.671 108.805 4.866 19413 1097 1 2 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.594 -0.748 19413 1098 1 2 . 1 1 53 53 GLY H H 53 8.948 8.948 8.015 0.933 19413 1099 1 2 . 1 1 54 54 THR N N 54 118.129 118.129 117.246 0.883 19413 1100 1 2 . 1 1 54 54 THR HA H 54 4.161 4.161 4.134 0.027 19413 1101 1 2 . 1 1 54 54 THR CA C 54 63.707 63.707 64.149 -0.442 19413 1102 1 2 . 1 1 54 54 THR CB C 54 68.784 68.784 69.235 -0.451 19413 1103 1 2 . 1 1 54 54 THR H H 54 7.696 7.696 7.717 -0.021 19413 1104 1 2 . 1 1 55 55 LYS N N 55 129.892 129.892 120.489 9.403 19413 1105 1 2 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.010 0.365 19413 1106 1 2 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.888 -1.053 19413 1107 1 2 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.041 1.407 19413 1108 1 2 . 1 1 55 55 LYS H H 55 8.757 8.757 8.405 0.352 19413 1109 1 2 . 1 1 56 56 MET N N 56 125.391 125.391 125.238 0.153 19413 1110 1 2 . 1 1 56 56 MET HA H 56 5.258 5.258 4.297 0.961 19413 1111 1 2 . 1 1 56 56 MET CA C 56 54.436 54.436 57.323 -2.887 19413 1112 1 2 . 1 1 56 56 MET CB C 56 34.394 34.394 32.624 1.770 19413 1113 1 2 . 1 1 56 56 MET H H 56 8.512 8.512 8.648 -0.136 19413 1114 1 2 . 1 1 57 57 THR N N 57 124.711 124.711 120.964 3.747 19413 1115 1 2 . 1 1 57 57 THR HA H 57 4.390 4.390 4.642 -0.252 19413 1116 1 2 . 1 1 57 57 THR CA C 57 61.942 61.942 61.320 0.622 19413 1117 1 2 . 1 1 57 57 THR CB C 57 70.952 70.952 70.384 0.568 19413 1118 1 2 . 1 1 57 57 THR H H 57 8.830 8.830 8.222 0.608 19413 1119 1 2 . 1 1 58 58 LYS N N 58 126.113 126.113 126.260 -0.147 19413 1120 1 2 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.002 0.280 19413 1121 1 2 . 1 1 58 58 LYS CA C 58 54.501 54.501 54.887 -0.386 19413 1122 1 2 . 1 1 58 58 LYS CB C 58 35.417 35.417 35.554 -0.137 19413 1123 1 2 . 1 1 58 58 LYS H H 58 8.739 8.739 8.390 0.349 19413 1124 1 2 . 1 1 59 59 TYR N N 59 127.472 127.472 122.823 4.649 19413 1125 1 2 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.922 0.704 19413 1126 1 2 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.633 -3.808 19413 1127 1 2 . 1 1 59 59 TYR CB C 59 40.685 40.685 41.275 -0.590 19413 1128 1 2 . 1 1 59 59 TYR H H 59 9.524 9.524 8.577 0.947 19413 1129 1 2 . 1 1 60 60 HIS N N 60 123.656 123.656 117.929 5.727 19413 1130 1 2 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.156 -0.772 19413 1131 1 2 . 1 1 60 60 HIS CA C 60 55.467 55.467 54.649 0.818 19413 1132 1 2 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.818 -1.999 19413 1133 1 2 . 1 1 60 60 HIS H H 60 9.284 9.284 8.282 1.002 19413 1134 1 2 . 1 1 61 61 VAL N N 61 112.397 112.397 123.175 -10.778 19413 1135 1 2 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.538 0.199 19413 1136 1 2 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.880 -1.801 19413 1137 1 2 . 1 1 61 61 VAL CB C 61 33.885 33.885 33.419 0.466 19413 1138 1 2 . 1 1 61 61 VAL H H 61 6.262 6.262 8.439 -2.177 19413 1139 1 2 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.572 -0.531 19413 1140 1 2 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.636 -0.309 19413 1141 1 2 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.534 0.218 19413 1142 1 2 . 1 1 63 63 PHE N N 63 111.215 111.215 122.486 -11.271 19413 1143 1 2 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.316 0.255 19413 1144 1 2 . 1 1 63 63 PHE CA C 63 57.709 57.709 60.180 -2.471 19413 1145 1 2 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.440 -1.835 19413 1146 1 2 . 1 1 63 63 PHE H H 63 6.419 6.419 8.014 -1.595 19413 1147 1 2 . 1 1 64 64 LEU N N 64 119.701 119.701 120.233 -0.532 19413 1148 1 2 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.471 0.224 19413 1149 1 2 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.951 -1.139 19413 1150 1 2 . 1 1 64 64 LEU CB C 64 44.338 44.338 42.576 1.762 19413 1151 1 2 . 1 1 64 64 LEU H H 64 6.396 6.396 7.689 -1.293 19413 1152 1 2 . 1 1 65 65 GLY N N 65 108.957 108.957 110.078 -1.121 19413 1153 1 2 . 1 1 65 65 GLY CA C 65 43.178 43.178 44.147 -0.968 19413 1154 1 2 . 1 1 65 65 GLY H H 65 8.084 8.084 8.080 0.004 19413 1155 1 2 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.302 0.109 19413 1156 1 2 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.958 0.037 19413 1157 1 2 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.090 -0.299 19413 1158 1 2 . 1 1 67 67 LEU N N 67 114.479 114.479 118.003 -3.524 19413 1159 1 2 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.813 0.654 19413 1160 1 2 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.687 -1.794 19413 1161 1 2 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.923 -0.485 19413 1162 1 2 . 1 1 67 67 LEU H H 67 7.484 7.484 8.426 -0.942 19413 1163 1 2 . 1 1 68 68 GLY N N 68 108.957 108.957 109.520 -0.563 19413 1164 1 2 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.456 2.051 19413 1165 1 2 . 1 1 68 68 GLY H H 68 7.659 7.659 7.917 -0.258 19413 1166 1 2 . 1 1 69 69 LYS N N 69 124.459 124.459 120.850 3.609 19413 1167 1 2 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.170 -0.124 19413 1168 1 2 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.241 2.795 19413 1169 1 2 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.118 -0.526 19413 1170 1 2 . 1 1 69 69 LYS H H 69 9.149 9.149 7.995 1.154 19413 1171 1 2 . 1 1 70 70 ASP N N 70 122.631 122.631 120.290 2.341 19413 1172 1 2 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.511 0.204 19413 1173 1 2 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.821 0.074 19413 1174 1 2 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.586 1.571 19413 1175 1 2 . 1 1 70 70 ASP H H 70 8.519 8.519 8.293 0.226 19413 1176 1 2 . 1 1 71 71 LEU N N 71 119.276 119.276 120.639 -1.363 19413 1177 1 2 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.816 0.421 19413 1178 1 2 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.209 -0.932 19413 1179 1 2 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.712 1.365 19413 1180 1 2 . 1 1 71 71 LEU H H 71 9.421 9.421 8.624 0.797 19413 1181 1 2 . 1 1 72 72 THR N N 72 119.204 119.204 115.435 3.769 19413 1182 1 2 . 1 1 72 72 THR HA H 72 4.033 4.033 3.921 0.112 19413 1183 1 2 . 1 1 72 72 THR CA C 72 67.403 67.403 67.062 0.341 19413 1184 1 2 . 1 1 72 72 THR CB C 72 68.170 68.170 68.585 -0.415 19413 1185 1 2 . 1 1 72 72 THR H H 72 7.762 7.762 7.767 -0.005 19413 1186 1 2 . 1 1 73 73 GLN N N 73 125.845 125.845 121.534 4.311 19413 1187 1 2 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.657 0.006 19413 1188 1 2 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.744 0.659 19413 1189 1 2 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.248 -2.689 19413 1190 1 2 . 1 1 73 73 GLN H H 73 7.822 7.822 7.803 0.019 19413 1191 1 2 . 1 1 74 74 ALA N N 74 123.013 123.013 121.981 1.032 19413 1192 1 2 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.187 -0.054 19413 1193 1 2 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.034 -0.130 19413 1194 1 2 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.199 0.951 19413 1195 1 2 . 1 1 74 74 ALA H H 74 8.966 8.966 8.211 0.755 19413 1196 1 2 . 1 1 75 75 TRP N N 75 120.717 120.717 120.351 0.366 19413 1197 1 2 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.234 0.665 19413 1198 1 2 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.274 -1.202 19413 1199 1 2 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.849 -0.258 19413 1200 1 2 . 1 1 75 75 TRP H H 75 8.932 8.932 8.244 0.688 19413 1201 1 2 . 1 1 76 76 ALA N N 76 119.394 119.394 120.821 -1.427 19413 1202 1 2 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.855 0.120 19413 1203 1 2 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.289 -0.411 19413 1204 1 2 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.998 2.167 19413 1205 1 2 . 1 1 76 76 ALA H H 76 7.650 7.650 7.969 -0.319 19413 1206 1 2 . 1 1 77 77 VAL N N 77 119.658 119.658 119.434 0.224 19413 1207 1 2 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.554 -0.330 19413 1208 1 2 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.830 0.078 19413 1209 1 2 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.464 -1.347 19413 1210 1 2 . 1 1 77 77 VAL H H 77 8.074 8.074 7.510 0.564 19413 1211 1 2 . 1 1 78 78 ALA N N 78 121.951 121.951 122.136 -0.185 19413 1212 1 2 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.134 -0.110 19413 1213 1 2 . 1 1 78 78 ALA CA C 78 54.841 54.841 54.996 -0.155 19413 1214 1 2 . 1 1 78 78 ALA CB C 78 17.499 17.499 17.926 -0.427 19413 1215 1 2 . 1 1 78 78 ALA H H 78 8.421 8.421 7.307 1.114 19413 1216 1 2 . 1 1 79 79 ILE N N 79 118.384 118.384 119.429 -1.045 19413 1217 1 2 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.813 -0.197 19413 1218 1 2 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.625 -0.641 19413 1219 1 2 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.880 0.316 19413 1220 1 2 . 1 1 79 79 ILE H H 79 8.122 8.122 8.117 0.005 19413 1221 1 2 . 1 1 80 80 ALA N N 80 124.708 124.708 121.468 3.240 19413 1222 1 2 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.108 -0.130 19413 1223 1 2 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.707 0.208 19413 1224 1 2 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.845 -0.740 19413 1225 1 2 . 1 1 80 80 ALA H H 80 8.694 8.694 8.059 0.635 19413 1226 1 2 . 1 1 81 81 LEU N N 81 114.303 114.303 114.464 -0.161 19413 1227 1 2 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.510 -0.130 19413 1228 1 2 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.384 0.198 19413 1229 1 2 . 1 1 81 81 LEU CB C 81 43.212 43.212 43.053 0.159 19413 1230 1 2 . 1 1 81 81 LEU H H 81 8.469 8.469 7.403 1.066 19413 1231 1 2 . 1 1 82 82 GLY N N 82 112.196 112.196 108.339 3.857 19413 1232 1 2 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.593 1.365 19413 1233 1 2 . 1 1 82 82 GLY H H 82 7.955 7.955 7.916 0.039 19413 1234 1 2 . 1 1 83 83 VAL N N 83 109.426 109.426 113.483 -4.057 19413 1235 1 2 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.446 0.475 19413 1236 1 2 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.841 -1.659 19413 1237 1 2 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.016 -0.575 19413 1238 1 2 . 1 1 83 83 VAL H H 83 8.267 8.267 7.923 0.344 19413 1239 1 2 . 1 1 84 84 GLU N N 84 127.081 127.081 123.340 3.741 19413 1240 1 2 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.653 -0.069 19413 1241 1 2 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.791 0.565 19413 1242 1 2 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.404 0.567 19413 1243 1 2 . 1 1 84 84 GLU H H 84 10.566 10.566 8.417 2.149 19413 1244 1 2 . 1 1 85 85 ASP N N 85 117.467 117.467 117.813 -0.346 19413 1245 1 2 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.451 0.136 19413 1246 1 2 . 1 1 85 85 ASP CA C 85 56.279 56.279 57.697 -1.418 19413 1247 1 2 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.586 -0.854 19413 1248 1 2 . 1 1 85 85 ASP H H 85 8.946 8.946 8.790 0.156 19413 1249 1 2 . 1 1 86 86 LYS N N 86 119.121 119.121 119.638 -0.517 19413 1250 1 2 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.065 0.354 19413 1251 1 2 . 1 1 86 86 LYS CA C 86 57.179 57.179 58.903 -1.724 19413 1252 1 2 . 1 1 86 86 LYS CB C 86 33.426 33.426 32.743 0.682 19413 1253 1 2 . 1 1 86 86 LYS H H 86 7.745 7.745 7.641 0.104 19413 1254 1 2 . 1 1 87 87 ILE N N 87 108.193 108.193 110.791 -2.598 19413 1255 1 2 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.353 -0.115 19413 1256 1 2 . 1 1 87 87 ILE CA C 87 59.320 59.320 61.423 -2.103 19413 1257 1 2 . 1 1 87 87 ILE CB C 87 40.000 40.000 36.846 3.154 19413 1258 1 2 . 1 1 87 87 ILE H H 87 7.343 7.343 7.996 -0.653 19413 1259 1 2 . 1 1 88 88 THR N N 88 119.455 119.455 118.043 1.412 19413 1260 1 2 . 1 1 88 88 THR HA H 88 4.053 4.053 4.385 -0.332 19413 1261 1 2 . 1 1 88 88 THR CA C 88 69.780 69.780 65.889 3.891 19413 1262 1 2 . 1 1 88 88 THR CB C 88 68.491 68.491 69.315 -0.824 19413 1263 1 2 . 1 1 88 88 THR H H 88 7.746 7.746 7.533 0.213 19413 1264 1 2 . 1 1 89 89 ALA N N 89 123.122 123.122 124.211 -1.089 19413 1265 1 2 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.582 0.018 19413 1266 1 2 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.405 0.886 19413 1267 1 2 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.687 -1.490 19413 1268 1 2 . 1 1 89 89 ALA H H 89 9.125 9.125 8.005 1.120 19413 1269 1 2 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.372 0.044 19413 1270 1 2 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.261 -0.040 19413 1271 1 2 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.381 0.030 19413 1272 1 2 . 1 1 91 91 MET N N 91 119.468 119.468 118.707 0.761 19413 1273 1 2 . 1 1 91 91 MET HA H 91 4.370 4.370 4.336 0.034 19413 1274 1 2 . 1 1 91 91 MET CA C 91 56.901 56.901 58.743 -1.842 19413 1275 1 2 . 1 1 91 91 MET CB C 91 30.059 30.059 32.674 -2.615 19413 1276 1 2 . 1 1 91 91 MET H H 91 8.176 8.176 7.519 0.657 19413 1277 1 2 . 1 1 92 92 PHE N N 92 120.720 120.720 117.696 3.024 19413 1278 1 2 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.287 0.231 19413 1279 1 2 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.086 3.797 19413 1280 1 2 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.161 1.163 19413 1281 1 2 . 1 1 92 92 PHE H H 92 8.650 8.650 8.695 -0.045 19413 1282 1 2 . 1 1 93 93 GLU N N 93 117.705 117.705 120.890 -3.185 19413 1283 1 2 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.020 0.046 19413 1284 1 2 . 1 1 93 93 GLU CA C 93 59.403 59.403 60.137 -0.734 19413 1285 1 2 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.697 -0.055 19413 1286 1 2 . 1 1 93 93 GLU H H 93 8.240 8.240 8.160 0.080 19413 1287 1 2 . 1 1 94 94 ALA N N 94 123.067 123.067 118.778 4.289 19413 1288 1 2 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.475 -0.024 19413 1289 1 2 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.483 0.512 19413 1290 1 2 . 1 1 94 94 ALA CB C 94 19.003 19.003 18.935 0.068 19413 1291 1 2 . 1 1 94 94 ALA H H 94 8.431 8.431 8.117 0.314 19413 1292 1 2 . 1 1 95 95 VAL N N 95 115.582 115.582 116.332 -0.750 19413 1293 1 2 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.896 -0.174 19413 1294 1 2 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.492 1.312 19413 1295 1 2 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.887 -1.148 19413 1296 1 2 . 1 1 95 95 VAL H H 95 8.467 8.467 7.280 1.187 19413 1297 1 2 . 1 1 96 96 GLN N N 96 113.295 113.295 118.337 -5.042 19413 1298 1 2 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.303 0.248 19413 1299 1 2 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.721 0.505 19413 1300 1 2 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.137 0.542 19413 1301 1 2 . 1 1 96 96 GLN H H 96 8.184 8.184 8.291 -0.107 19413 1302 1 2 . 1 1 97 97 LYS N N 97 118.621 118.621 119.757 -1.136 19413 1303 1 2 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.168 0.519 19413 1304 1 2 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.532 -1.373 19413 1305 1 2 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.147 -0.605 19413 1306 1 2 . 1 1 97 97 LYS H H 97 8.231 8.231 7.712 0.519 19413 1307 1 2 . 1 1 98 98 THR N N 98 110.486 110.486 108.278 2.208 19413 1308 1 2 . 1 1 98 98 THR HA H 98 4.285 4.285 4.348 -0.063 19413 1309 1 2 . 1 1 98 98 THR CA C 98 62.420 62.420 62.104 0.316 19413 1310 1 2 . 1 1 98 98 THR CB C 98 68.343 68.343 70.431 -2.088 19413 1311 1 2 . 1 1 98 98 THR H H 98 8.612 8.612 8.017 0.595 19413 1312 1 2 . 1 1 99 99 GLN N N 99 115.751 115.751 117.223 -1.472 19413 1313 1 2 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.053 0.132 19413 1314 1 2 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.223 -0.237 19413 1315 1 2 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.702 -1.079 19413 1316 1 2 . 1 1 99 99 GLN H H 99 6.979 6.979 8.079 -1.100 19413 1317 1 2 . 1 1 100 100 THR N N 100 108.660 108.660 114.028 -5.368 19413 1318 1 2 . 1 1 100 100 THR HA H 100 4.350 4.350 4.118 0.232 19413 1319 1 2 . 1 1 100 100 THR CA C 100 61.035 61.035 64.349 -3.313 19413 1320 1 2 . 1 1 100 100 THR CB C 100 68.306 68.306 69.276 -0.970 19413 1321 1 2 . 1 1 100 100 THR H H 100 8.362 8.362 7.795 0.567 19413 1322 1 2 . 1 1 101 101 VAL N N 101 121.417 121.417 121.951 -0.534 19413 1323 1 2 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.796 0.397 19413 1324 1 2 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.411 -2.444 19413 1325 1 2 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.858 0.491 19413 1326 1 2 . 1 1 101 101 VAL H H 101 7.376 7.376 7.940 -0.564 19413 1327 1 2 . 1 1 102 102 GLN N N 102 127.472 127.472 125.138 2.334 19413 1328 1 2 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.679 -0.115 19413 1329 1 2 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.825 -0.709 19413 1330 1 2 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.248 -1.480 19413 1331 1 2 . 1 1 102 102 GLN H H 102 9.583 9.583 8.868 0.715 19413 1332 1 2 . 1 1 103 103 SER N N 103 116.698 116.698 114.863 1.835 19413 1333 1 2 . 1 1 103 103 SER HA H 103 4.883 4.883 4.845 0.038 19413 1334 1 2 . 1 1 103 103 SER CA C 103 56.423 56.423 56.584 -0.161 19413 1335 1 2 . 1 1 103 103 SER CB C 103 66.834 66.834 66.097 0.736 19413 1336 1 2 . 1 1 103 103 SER H H 103 8.539 8.539 8.483 0.056 19413 1337 1 2 . 1 1 104 104 VAL N N 104 120.375 120.375 122.351 -1.976 19413 1338 1 2 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.627 0.113 19413 1339 1 2 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.347 -0.591 19413 1340 1 2 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.413 -0.484 19413 1341 1 2 . 1 1 104 104 VAL H H 104 8.929 8.929 8.654 0.275 19413 1342 1 2 . 1 1 105 105 ALA N N 105 125.255 125.255 118.338 6.917 19413 1343 1 2 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.993 0.007 19413 1344 1 2 . 1 1 105 105 ALA CA C 105 54.906 54.906 53.734 1.172 19413 1345 1 2 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.767 0.286 19413 1346 1 2 . 1 1 105 105 ALA H H 105 8.099 8.099 8.511 -0.412 19413 1347 1 2 . 1 1 106 106 ASP N N 106 118.317 118.317 119.071 -0.754 19413 1348 1 2 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.748 -0.373 19413 1349 1 2 . 1 1 106 106 ASP CA C 106 56.664 56.664 55.847 0.817 19413 1350 1 2 . 1 1 106 106 ASP CB C 106 42.767 42.767 42.618 0.149 19413 1351 1 2 . 1 1 106 106 ASP H H 106 7.603 7.603 7.852 -0.249 19413 1352 1 2 . 1 1 107 107 ILE N N 107 120.210 120.210 120.452 -0.242 19413 1353 1 2 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.900 -0.569 19413 1354 1 2 . 1 1 107 107 ILE CA C 107 65.609 65.609 65.066 0.543 19413 1355 1 2 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.803 0.087 19413 1356 1 2 . 1 1 107 107 ILE H H 107 7.342 7.342 7.497 -0.155 19413 1357 1 2 . 1 1 108 108 ARG N N 108 119.234 119.234 117.879 1.355 19413 1358 1 2 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.410 -0.613 19413 1359 1 2 . 1 1 108 108 ARG CA C 108 58.656 58.656 57.917 0.739 19413 1360 1 2 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.607 1.235 19413 1361 1 2 . 1 1 108 108 ARG H H 108 6.677 6.677 8.213 -1.536 19413 1362 1 2 . 1 1 109 109 LYS N N 109 117.662 117.662 121.072 -3.410 19413 1363 1 2 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.965 -0.119 19413 1364 1 2 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.651 -0.432 19413 1365 1 2 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.208 -0.234 19413 1366 1 2 . 1 1 109 109 LYS H H 109 7.164 7.164 7.576 -0.412 19413 1367 1 2 . 1 1 110 110 VAL N N 110 118.257 118.257 119.054 -0.797 19413 1368 1 2 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.716 -0.075 19413 1369 1 2 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.059 0.003 19413 1370 1 2 . 1 1 110 110 VAL CB C 110 31.224 31.224 30.944 0.280 19413 1371 1 2 . 1 1 110 110 VAL H H 110 7.269 7.269 7.476 -0.207 19413 1372 1 2 . 1 1 111 111 PHE N N 111 118.699 118.699 118.711 -0.012 19413 1373 1 2 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.122 -0.212 19413 1374 1 2 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.239 -0.759 19413 1375 1 2 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.096 0.327 19413 1376 1 2 . 1 1 111 111 PHE H H 111 7.411 7.411 7.845 -0.434 19413 1377 1 2 . 1 1 112 112 VAL N N 112 121.527 121.527 118.867 2.660 19413 1378 1 2 . 1 1 112 112 VAL HA H 112 4.611 4.611 4.049 0.562 19413 1379 1 2 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.455 -0.736 19413 1380 1 2 . 1 1 112 112 VAL CB C 112 31.371 31.371 30.852 0.519 19413 1381 1 2 . 1 1 112 112 VAL H H 112 8.424 8.424 7.746 0.678 19413 1382 1 2 . 1 1 113 113 ASP N N 113 124.032 124.032 123.033 0.999 19413 1383 1 2 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.447 -0.000 19413 1384 1 2 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.137 -0.459 19413 1385 1 2 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.442 -1.162 19413 1386 1 2 . 1 1 113 113 ASP H H 113 9.048 9.048 8.468 0.580 19413 1387 1 2 . 1 1 114 114 ALA N N 114 121.399 121.399 119.745 1.654 19413 1388 1 2 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.248 0.219 19413 1389 1 2 . 1 1 114 114 ALA CA C 114 51.878 51.878 51.831 0.046 19413 1390 1 2 . 1 1 114 114 ALA CB C 114 18.613 18.613 18.922 -0.309 19413 1391 1 2 . 1 1 114 114 ALA H H 114 7.505 7.505 7.859 -0.354 19413 1392 1 2 . 1 1 115 115 GLY N N 115 105.755 105.755 107.109 -1.354 19413 1393 1 2 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.910 0.193 19413 1394 1 2 . 1 1 115 115 GLY H H 115 7.895 7.895 7.777 0.118 19413 1395 1 2 . 1 1 116 116 VAL N N 116 124.542 124.542 119.660 4.882 19413 1396 1 2 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.349 -0.329 19413 1397 1 2 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.310 1.291 19413 1398 1 2 . 1 1 116 116 VAL CB C 116 31.739 31.739 35.228 -3.489 19413 1399 1 2 . 1 1 116 116 VAL H H 116 8.095 8.095 7.559 0.536 19413 1400 1 2 . 1 1 117 117 LYS N N 117 128.363 128.363 126.299 2.064 19413 1401 1 2 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.250 -0.067 19413 1402 1 2 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.201 -0.116 19413 1403 1 2 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.780 -0.968 19413 1404 1 2 . 1 1 117 117 LYS H H 117 9.102 9.102 8.895 0.207 19413 1405 1 2 . 1 1 118 118 GLY N N 118 116.049 116.049 114.383 1.666 19413 1406 1 2 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.233 0.436 19413 1407 1 2 . 1 1 118 118 GLY H H 118 9.300 9.300 9.088 0.212 19413 1408 1 2 . 1 1 119 119 GLU N N 119 118.512 118.512 119.073 -0.561 19413 1409 1 2 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.154 0.072 19413 1410 1 2 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.720 0.803 19413 1411 1 2 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.233 -0.420 19413 1412 1 2 . 1 1 119 119 GLU H H 119 9.501 9.501 8.841 0.660 19413 1413 1 2 . 1 1 120 120 ASP N N 120 121.262 121.262 120.577 0.685 19413 1414 1 2 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.539 0.040 19413 1415 1 2 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.648 -0.089 19413 1416 1 2 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.187 -1.555 19413 1417 1 2 . 1 1 120 120 ASP H H 120 7.088 7.088 7.517 -0.429 19413 1418 1 2 . 1 1 121 121 TYR N N 121 123.619 123.619 122.180 1.439 19413 1419 1 2 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.069 -0.347 19413 1420 1 2 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.054 0.097 19413 1421 1 2 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.563 -0.561 19413 1422 1 2 . 1 1 121 121 TYR H H 121 7.986 7.986 8.014 -0.028 19413 1423 1 2 . 1 1 122 122 ASP N N 122 119.702 119.702 118.206 1.496 19413 1424 1 2 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.441 -0.187 19413 1425 1 2 . 1 1 122 122 ASP CA C 122 57.122 57.122 57.079 0.043 19413 1426 1 2 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.331 -0.720 19413 1427 1 2 . 1 1 122 122 ASP H H 122 8.812 8.812 8.685 0.127 19413 1428 1 2 . 1 1 123 123 ALA N N 123 121.138 121.138 121.390 -0.252 19413 1429 1 2 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.320 -0.094 19413 1430 1 2 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.368 -0.138 19413 1431 1 2 . 1 1 123 123 ALA CB C 123 18.126 18.126 18.822 -0.696 19413 1432 1 2 . 1 1 123 123 ALA H H 123 7.696 7.696 7.360 0.336 19413 1433 1 2 . 1 1 124 124 ALA N N 124 120.299 120.299 122.541 -2.242 19413 1434 1 2 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.045 0.061 19413 1435 1 2 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.775 -0.449 19413 1436 1 2 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.136 0.429 19413 1437 1 2 . 1 1 124 124 ALA H H 124 7.935 7.935 8.172 -0.237 19413 1438 1 2 . 1 1 125 125 TRP N N 125 121.357 121.357 118.328 3.029 19413 1439 1 2 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.175 -0.699 19413 1440 1 2 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.595 0.868 19413 1441 1 2 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.000 -0.623 19413 1442 1 2 . 1 1 125 125 TRP H H 125 8.948 8.948 8.311 0.637 19413 1443 1 2 . 1 1 126 126 ASN N N 126 110.817 110.817 113.514 -2.697 19413 1444 1 2 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.812 0.031 19413 1445 1 2 . 1 1 126 126 ASN CA C 126 52.522 52.522 53.374 -0.852 19413 1446 1 2 . 1 1 126 126 ASN CB C 126 40.070 40.070 40.295 -0.225 19413 1447 1 2 . 1 1 126 126 ASN H H 126 7.024 7.024 7.735 -0.711 19413 1448 1 2 . 1 1 127 127 SER N N 127 116.650 116.650 116.308 0.342 19413 1449 1 2 . 1 1 127 127 SER HA H 127 4.472 4.472 4.599 -0.127 19413 1450 1 2 . 1 1 127 127 SER CA C 127 58.535 58.535 56.900 1.635 19413 1451 1 2 . 1 1 127 127 SER CB C 127 65.513 65.513 64.585 0.928 19413 1452 1 2 . 1 1 127 127 SER H H 127 7.831 7.831 7.693 0.138 19413 1453 1 2 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.216 0.062 19413 1454 1 2 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.934 0.121 19413 1455 1 2 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.077 -0.709 19413 1456 1 2 . 1 1 129 129 VAL N N 129 120.058 120.058 118.506 1.552 19413 1457 1 2 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.627 0.087 19413 1458 1 2 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.661 -0.989 19413 1459 1 2 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.032 0.746 19413 1460 1 2 . 1 1 129 129 VAL H H 129 8.340 8.340 7.782 0.558 19413 1461 1 2 . 1 1 130 130 VAL N N 130 122.552 122.552 119.190 3.362 19413 1462 1 2 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.481 0.030 19413 1463 1 2 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.962 -0.128 19413 1464 1 2 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.155 0.069 19413 1465 1 2 . 1 1 130 130 VAL H H 130 7.163 7.163 7.792 -0.629 19413 1466 1 2 . 1 1 131 131 LYS N N 131 122.079 122.079 119.529 2.550 19413 1467 1 2 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.707 0.049 19413 1468 1 2 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.029 0.705 19413 1469 1 2 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.181 0.337 19413 1470 1 2 . 1 1 131 131 LYS H H 131 7.852 7.852 7.484 0.368 19413 1471 1 2 . 1 1 132 132 SER N N 132 115.836 115.836 114.588 1.248 19413 1472 1 2 . 1 1 132 132 SER HA H 132 4.155 4.155 4.143 0.012 19413 1473 1 2 . 1 1 132 132 SER CA C 132 61.022 61.022 60.763 0.259 19413 1474 1 2 . 1 1 132 132 SER CB C 132 62.309 62.309 62.914 -0.605 19413 1475 1 2 . 1 1 132 132 SER H H 132 8.258 8.258 8.261 -0.003 19413 1476 1 2 . 1 1 133 133 LEU N N 133 124.754 124.754 122.185 2.569 19413 1477 1 2 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.919 0.278 19413 1478 1 2 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.881 -0.317 19413 1479 1 2 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.837 2.324 19413 1480 1 2 . 1 1 133 133 LEU H H 133 8.140 8.140 7.841 0.299 19413 1481 1 2 . 1 1 134 134 VAL N N 134 123.461 123.461 119.289 4.172 19413 1482 1 2 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.499 -0.218 19413 1483 1 2 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.793 2.064 19413 1484 1 2 . 1 1 134 134 VAL CB C 134 30.856 30.856 30.827 0.029 19413 1485 1 2 . 1 1 134 134 VAL H H 134 8.718 8.718 8.361 0.357 19413 1486 1 2 . 1 1 135 135 ALA N N 135 121.739 121.739 121.904 -0.165 19413 1487 1 2 . 1 1 135 135 ALA HA H 135 4.164 4.164 4.223 -0.059 19413 1488 1 2 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.018 -0.089 19413 1489 1 2 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.314 -0.888 19413 1490 1 2 . 1 1 135 135 ALA H H 135 7.513 7.513 7.535 -0.022 19413 1491 1 2 . 1 1 136 136 GLN N N 136 119.033 119.033 117.301 1.732 19413 1492 1 2 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.940 0.136 19413 1493 1 2 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.457 0.652 19413 1494 1 2 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.289 0.796 19413 1495 1 2 . 1 1 136 136 GLN H H 136 8.473 8.473 7.863 0.610 19413 1496 1 2 . 1 1 137 137 GLN N N 137 119.734 119.734 118.567 1.167 19413 1497 1 2 . 1 1 137 137 GLN HA H 137 3.512 3.512 3.768 -0.256 19413 1498 1 2 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.114 1.768 19413 1499 1 2 . 1 1 137 137 GLN CB C 137 30.843 30.843 29.229 1.614 19413 1500 1 2 . 1 1 137 137 GLN H H 137 7.995 7.995 7.524 0.471 19413 1501 1 2 . 1 1 138 138 GLU N N 138 121.309 121.309 119.962 1.347 19413 1502 1 2 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.047 -0.112 19413 1503 1 2 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.200 -0.223 19413 1504 1 2 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.239 -0.274 19413 1505 1 2 . 1 1 138 138 GLU H H 138 8.291 8.291 8.597 -0.306 19413 1506 1 2 . 1 1 139 139 LYS N N 139 122.121 122.121 120.442 1.679 19413 1507 1 2 . 1 1 139 139 LYS HA H 139 4.117 4.117 3.979 0.138 19413 1508 1 2 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.552 -0.628 19413 1509 1 2 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.445 0.147 19413 1510 1 2 . 1 1 139 139 LYS H H 139 8.603 8.603 8.091 0.512 19413 1511 1 2 . 1 1 140 140 ALA N N 140 120.286 120.286 117.233 3.053 19413 1512 1 2 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.327 0.083 19413 1513 1 2 . 1 1 140 140 ALA CA C 140 55.063 55.063 53.988 1.075 19413 1514 1 2 . 1 1 140 140 ALA CB C 140 18.446 18.446 19.031 -0.585 19413 1515 1 2 . 1 1 140 140 ALA H H 140 8.140 8.140 7.915 0.225 19413 1516 1 2 . 1 1 141 141 ALA N N 141 116.994 116.994 115.695 1.299 19413 1517 1 2 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.206 -0.558 19413 1518 1 2 . 1 1 141 141 ALA CA C 141 54.515 54.515 51.596 2.919 19413 1519 1 2 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.060 -2.059 19413 1520 1 2 . 1 1 141 141 ALA H H 141 7.251 7.251 7.407 -0.156 19413 1521 1 2 . 1 1 142 142 ALA N N 142 121.272 121.272 120.096 1.176 19413 1522 1 2 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.485 -0.301 19413 1523 1 2 . 1 1 142 142 ALA CA C 142 54.657 54.657 51.932 2.725 19413 1524 1 2 . 1 1 142 142 ALA CB C 142 18.217 18.217 20.015 -1.798 19413 1525 1 2 . 1 1 142 142 ALA H H 142 7.940 7.940 7.693 0.247 19413 1526 1 2 . 1 1 143 143 ASP N N 143 121.599 121.599 120.511 1.088 19413 1527 1 2 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.413 -0.077 19413 1528 1 2 . 1 1 143 143 ASP CA C 143 56.975 56.975 57.026 -0.051 19413 1529 1 2 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.475 -1.440 19413 1530 1 2 . 1 1 143 143 ASP H H 143 9.272 9.272 8.398 0.874 19413 1531 1 2 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.597 -0.486 19413 1532 1 2 . 1 1 144 144 LEU CA C 144 54.547 54.547 56.111 -1.564 19413 1533 1 2 . 1 1 144 144 LEU CB C 144 41.055 41.055 40.708 0.347 19413 1534 1 2 . 1 1 145 145 GLN N N 145 116.940 116.940 116.931 0.009 19413 1535 1 2 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.332 -0.580 19413 1536 1 2 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.391 -0.568 19413 1537 1 2 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.262 -2.130 19413 1538 1 2 . 1 1 145 145 GLN H H 145 7.750 7.750 7.800 -0.050 19413 1539 1 2 . 1 1 146 146 LEU N N 146 119.399 119.399 122.804 -3.405 19413 1540 1 2 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.473 -0.587 19413 1541 1 2 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.021 1.292 19413 1542 1 2 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.930 0.212 19413 1543 1 2 . 1 1 146 146 LEU H H 146 7.516 7.516 7.766 -0.250 19413 1544 1 2 . 1 1 147 147 GLN N N 147 123.118 123.118 116.277 6.841 19413 1545 1 2 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.787 0.360 19413 1546 1 2 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.128 -1.261 19413 1547 1 2 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.337 3.188 19413 1548 1 2 . 1 1 147 147 GLN H H 147 8.895 8.895 8.307 0.588 19413 1549 1 2 . 1 1 148 148 GLY N N 148 106.555 106.555 106.111 0.444 19413 1550 1 2 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.801 0.303 19413 1551 1 2 . 1 1 148 148 GLY H H 148 7.275 7.275 7.644 -0.369 19413 1552 1 2 . 1 1 149 149 VAL N N 149 110.030 110.030 116.651 -6.621 19413 1553 1 2 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.569 -0.098 19413 1554 1 2 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.815 -1.178 19413 1555 1 2 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.452 2.230 19413 1556 1 2 . 1 1 149 149 VAL H H 149 8.267 8.267 8.151 0.116 19413 1557 1 2 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.860 -0.050 19413 1558 1 2 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.903 -0.759 19413 1559 1 2 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.278 2.648 19413 1560 1 2 . 1 1 151 151 ALA N N 151 123.567 123.567 126.313 -2.746 19413 1561 1 2 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.806 0.079 19413 1562 1 2 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.200 0.425 19413 1563 1 2 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.830 2.017 19413 1564 1 2 . 1 1 151 151 ALA H H 151 8.249 8.249 8.737 -0.488 19413 1565 1 2 . 1 1 152 152 MET N N 152 121.866 121.866 121.298 0.568 19413 1566 1 2 . 1 1 152 152 MET HA H 152 5.724 5.724 5.110 0.614 19413 1567 1 2 . 1 1 152 152 MET CA C 152 55.487 55.487 55.383 0.104 19413 1568 1 2 . 1 1 152 152 MET CB C 152 36.830 36.830 36.044 0.786 19413 1569 1 2 . 1 1 152 152 MET H H 152 8.610 8.610 8.510 0.100 19413 1570 1 2 . 1 1 153 153 TYR N N 153 124.782 124.782 122.687 2.095 19413 1571 1 2 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.156 0.598 19413 1572 1 2 . 1 1 153 153 TYR CA C 153 56.208 56.208 57.027 -0.819 19413 1573 1 2 . 1 1 153 153 TYR CB C 153 42.990 42.990 41.419 1.571 19413 1574 1 2 . 1 1 153 153 TYR H H 153 9.685 9.685 8.614 1.071 19413 1575 1 2 . 1 1 154 154 VAL N N 154 121.914 121.914 118.488 3.426 19413 1576 1 2 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.404 -0.744 19413 1577 1 2 . 1 1 154 154 VAL H H 154 9.441 9.441 9.022 0.419 19413 1578 1 2 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.344 0.395 19413 1579 1 2 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.084 0.389 19413 1580 1 2 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.147 -0.993 19413 1581 1 2 . 1 1 156 156 GLY N N 156 106.059 106.059 103.877 2.182 19413 1582 1 2 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.694 0.492 19413 1583 1 2 . 1 1 156 156 GLY H H 156 9.354 9.354 8.381 0.973 19413 1584 1 2 . 1 1 157 157 LYS N N 157 114.357 114.357 112.027 2.330 19413 1585 1 2 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.302 0.250 19413 1586 1 2 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.097 0.658 19413 1587 1 2 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.356 2.432 19413 1588 1 2 . 1 1 157 157 LYS H H 157 7.877 7.877 7.994 -0.117 19413 1589 1 2 . 1 1 158 158 TYR N N 158 117.900 117.900 119.385 -1.485 19413 1590 1 2 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.501 0.363 19413 1591 1 2 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.308 -1.452 19413 1592 1 2 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.600 0.279 19413 1593 1 2 . 1 1 158 158 TYR H H 158 7.876 7.876 8.162 -0.286 19413 1594 1 2 . 1 1 159 159 GLN N N 159 125.094 125.094 120.294 4.800 19413 1595 1 2 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.983 -0.230 19413 1596 1 2 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.516 -1.109 19413 1597 1 2 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.260 -1.411 19413 1598 1 2 . 1 1 159 159 GLN H H 159 9.701 9.701 8.987 0.714 19413 1599 1 2 . 1 1 160 160 LEU N N 160 131.941 131.941 125.955 5.986 19413 1600 1 2 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.207 -0.196 19413 1601 1 2 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.654 -1.659 19413 1602 1 2 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.669 -1.594 19413 1603 1 2 . 1 1 160 160 LEU H H 160 8.551 8.551 8.477 0.074 19413 1604 1 2 . 1 1 161 161 ASN N N 161 118.639 118.639 122.142 -3.503 19413 1605 1 2 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.142 0.354 19413 1606 1 2 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.237 -0.468 19413 1607 1 2 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.180 -0.269 19413 1608 1 2 . 1 1 161 161 ASN H H 161 8.285 8.285 8.457 -0.172 19413 1609 1 2 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.856 -0.067 19413 1610 1 2 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.102 -0.328 19413 1611 1 2 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.774 -0.596 19413 1612 1 2 . 1 1 163 163 GLN N N 163 116.006 116.006 116.655 -0.649 19413 1613 1 2 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.352 -0.126 19413 1614 1 2 . 1 1 163 163 GLN CA C 163 57.966 57.966 56.940 1.026 19413 1615 1 2 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.596 -0.620 19413 1616 1 2 . 1 1 163 163 GLN H H 163 8.086 8.086 8.177 -0.091 19413 1617 1 2 . 1 1 164 164 GLY N N 164 107.393 107.393 106.909 0.484 19413 1618 1 2 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.909 -0.306 19413 1619 1 2 . 1 1 164 164 GLY H H 164 8.030 8.030 7.756 0.274 19413 1620 1 2 . 1 1 165 165 MET N N 165 119.802 119.802 118.572 1.230 19413 1621 1 2 . 1 1 165 165 MET HA H 165 4.636 4.636 4.794 -0.158 19413 1622 1 2 . 1 1 165 165 MET CA C 165 54.567 54.567 54.599 -0.032 19413 1623 1 2 . 1 1 165 165 MET CB C 165 34.464 34.464 35.972 -1.508 19413 1624 1 2 . 1 1 165 165 MET H H 165 7.451 7.451 7.556 -0.105 19413 1625 1 2 . 1 1 166 166 ASP N N 166 121.681 121.681 121.261 0.420 19413 1626 1 2 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.740 -0.107 19413 1627 1 2 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.357 -0.176 19413 1628 1 2 . 1 1 166 166 ASP CB C 166 40.653 40.653 39.530 1.123 19413 1629 1 2 . 1 1 166 166 ASP H H 166 8.694 8.694 9.022 -0.328 19413 1630 1 2 . 1 1 167 167 THR N N 167 112.609 112.609 113.821 -1.212 19413 1631 1 2 . 1 1 167 167 THR HA H 167 4.224 4.224 4.356 -0.132 19413 1632 1 2 . 1 1 167 167 THR CA C 167 60.340 60.340 63.026 -2.686 19413 1633 1 2 . 1 1 167 167 THR CB C 167 68.416 68.416 68.150 0.266 19413 1634 1 2 . 1 1 167 167 THR H H 167 7.860 7.860 8.203 -0.343 19413 1635 1 2 . 1 1 168 168 SER N N 168 118.936 118.936 116.723 2.213 19413 1636 1 2 . 1 1 168 168 SER HA H 168 4.158 4.158 4.717 -0.559 19413 1637 1 2 . 1 1 168 168 SER CA C 168 60.874 60.874 58.820 2.054 19413 1638 1 2 . 1 1 168 168 SER CB C 168 63.123 63.123 64.477 -1.354 19413 1639 1 2 . 1 1 168 168 SER H H 168 8.739 8.739 7.992 0.747 19413 1640 1 2 . 1 1 169 169 ASN N N 169 117.875 117.875 118.790 -0.915 19413 1641 1 2 . 1 1 169 169 ASN HA H 169 4.773 4.773 5.019 -0.246 19413 1642 1 2 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.141 -0.793 19413 1643 1 2 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.997 -0.305 19413 1644 1 2 . 1 1 169 169 ASN H H 169 7.341 7.341 7.792 -0.451 19413 1645 1 2 . 1 1 170 170 MET N N 170 123.431 123.431 116.972 6.459 19413 1646 1 2 . 1 1 170 170 MET HA H 170 4.600 4.600 4.017 0.583 19413 1647 1 2 . 1 1 170 170 MET CA C 170 57.233 57.233 58.782 -1.548 19413 1648 1 2 . 1 1 170 170 MET CB C 170 32.751 32.751 30.339 2.412 19413 1649 1 2 . 1 1 170 170 MET H H 170 9.186 9.186 8.462 0.724 19413 1650 1 2 . 1 1 171 171 ASP N N 171 120.825 120.825 120.201 0.624 19413 1651 1 2 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.514 -0.021 19413 1652 1 2 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.855 -0.348 19413 1653 1 2 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.975 -1.187 19413 1654 1 2 . 1 1 171 171 ASP H H 171 8.232 8.232 8.402 -0.170 19413 1655 1 2 . 1 1 172 172 VAL N N 172 122.666 122.666 119.879 2.787 19413 1656 1 2 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.675 0.103 19413 1657 1 2 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.919 -0.380 19413 1658 1 2 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.747 0.108 19413 1659 1 2 . 1 1 172 172 VAL H H 172 7.872 7.872 7.615 0.257 19413 1660 1 2 . 1 1 173 173 PHE N N 173 121.872 121.872 120.847 1.025 19413 1661 1 2 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.148 0.232 19413 1662 1 2 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.586 -0.122 19413 1663 1 2 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.719 0.555 19413 1664 1 2 . 1 1 173 173 PHE H H 173 8.250 8.250 7.915 0.335 19413 1665 1 2 . 1 1 174 174 VAL N N 174 117.535 117.535 119.640 -2.105 19413 1666 1 2 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.102 -0.059 19413 1667 1 2 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.352 0.551 19413 1668 1 2 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.938 0.433 19413 1669 1 2 . 1 1 174 174 VAL H H 174 8.138 8.138 7.842 0.296 19413 1670 1 2 . 1 1 175 175 ALA N N 175 121.129 121.129 122.095 -0.966 19413 1671 1 2 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.900 0.226 19413 1672 1 2 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.145 -0.377 19413 1673 1 2 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.317 -0.302 19413 1674 1 2 . 1 1 175 175 ALA H H 175 7.396 7.396 8.162 -0.766 19413 1675 1 2 . 1 1 176 176 GLN N N 176 120.043 120.043 116.720 3.323 19413 1676 1 2 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.151 -0.072 19413 1677 1 2 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.936 1.026 19413 1678 1 2 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.287 -1.238 19413 1679 1 2 . 1 1 176 176 GLN H H 176 8.721 8.721 7.644 1.077 19413 1680 1 2 . 1 1 177 177 TYR N N 177 127.981 127.981 123.124 4.857 19413 1681 1 2 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.903 -0.312 19413 1682 1 2 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.727 -0.165 19413 1683 1 2 . 1 1 177 177 TYR CB C 177 37.978 37.978 37.915 0.063 19413 1684 1 2 . 1 1 177 177 TYR H H 177 9.002 9.002 8.333 0.669 19413 1685 1 2 . 1 1 178 178 ALA N N 178 119.796 119.796 119.178 0.618 19413 1686 1 2 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.891 0.139 19413 1687 1 2 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.748 -0.343 19413 1688 1 2 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.926 0.043 19413 1689 1 2 . 1 1 178 178 ALA H H 178 8.392 8.392 8.436 -0.044 19413 1690 1 2 . 1 1 179 179 ASP N N 179 117.823 117.823 117.585 0.238 19413 1691 1 2 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.346 0.073 19413 1692 1 2 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.423 -0.127 19413 1693 1 2 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.674 1.129 19413 1694 1 2 . 1 1 179 179 ASP H H 179 8.379 8.379 7.911 0.468 19413 1695 1 2 . 1 1 180 180 THR N N 180 117.846 117.846 116.322 1.524 19413 1696 1 2 . 1 1 180 180 THR HA H 180 4.179 4.179 3.888 0.291 19413 1697 1 2 . 1 1 180 180 THR CA C 180 67.378 67.378 66.027 1.351 19413 1698 1 2 . 1 1 180 180 THR CB C 180 67.733 67.733 68.674 -0.941 19413 1699 1 2 . 1 1 180 180 THR H H 180 8.255 8.255 8.067 0.188 19413 1700 1 2 . 1 1 181 181 VAL N N 181 120.101 120.101 121.411 -1.310 19413 1701 1 2 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.434 -0.253 19413 1702 1 2 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.580 1.200 19413 1703 1 2 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.761 -0.830 19413 1704 1 2 . 1 1 181 181 VAL H H 181 7.772 7.772 7.760 0.012 19413 1705 1 2 . 1 1 182 182 LYS N N 182 119.144 119.144 117.541 1.603 19413 1706 1 2 . 1 1 182 182 LYS HA H 182 3.630 3.630 4.075 -0.445 19413 1707 1 2 . 1 1 182 182 LYS CA C 182 60.361 60.361 58.618 1.742 19413 1708 1 2 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.893 0.387 19413 1709 1 2 . 1 1 182 182 LYS H H 182 7.758 7.758 7.667 0.091 19413 1710 1 2 . 1 1 183 183 GLN N N 183 116.269 116.269 117.845 -1.576 19413 1711 1 2 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.219 -0.234 19413 1712 1 2 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.172 1.111 19413 1713 1 2 . 1 1 183 183 GLN CB C 183 29.323 29.323 29.528 -0.205 19413 1714 1 2 . 1 1 183 183 GLN H H 183 8.114 8.114 7.913 0.201 19413 1715 1 2 . 1 1 184 184 LEU N N 184 119.688 119.688 121.569 -1.881 19413 1716 1 2 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.849 -0.214 19413 1717 1 2 . 1 1 184 184 LEU CA C 184 57.041 57.041 57.440 -0.399 19413 1718 1 2 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.831 0.229 19413 1719 1 2 . 1 1 184 184 LEU H H 184 8.000 8.000 8.102 -0.102 19413 1720 1 2 . 1 1 185 185 VAL N N 185 121.017 121.017 116.582 4.435 19413 1721 1 2 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.770 -0.258 19413 1722 1 2 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.186 0.556 19413 1723 1 2 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.926 -0.362 19413 1724 1 2 . 1 1 185 185 VAL H H 185 8.494 8.494 7.551 0.943 19413 1725 1 2 . 1 1 186 186 GLU N N 186 117.535 117.535 115.226 2.309 19413 1726 1 2 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.323 -0.203 19413 1727 1 2 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.427 0.732 19413 1728 1 2 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.057 -0.268 19413 1729 1 2 . 1 1 186 186 GLU H H 186 7.541 7.541 7.579 -0.038 19413 1730 1 2 . 1 1 187 187 LYS N N 187 121.929 121.929 121.565 0.364 19413 1731 1 2 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.448 -0.322 19413 1732 1 2 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.225 2.523 19413 1733 1 2 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.799 0.918 19413 1734 1 2 . 1 1 187 187 LYS H H 187 7.358 7.358 7.409 -0.051 19413 1735 1 3 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.811 -0.040 19413 1736 1 3 . 1 1 0 0 ASN CA C 0 53.288 53.288 52.434 0.854 19413 1737 1 3 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.637 -0.716 19413 1738 1 3 . 1 1 1 1 ALA N N 1 125.275 125.275 121.384 3.891 19413 1739 1 3 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.898 0.421 19413 1740 1 3 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.680 -1.647 19413 1741 1 3 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.995 1.129 19413 1742 1 3 . 1 1 1 1 ALA H H 1 8.441 8.441 8.725 -0.284 19413 1743 1 3 . 1 1 2 2 GLN N N 2 121.120 121.120 117.124 3.996 19413 1744 1 3 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.627 -0.148 19413 1745 1 3 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.481 -0.068 19413 1746 1 3 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.281 -1.787 19413 1747 1 3 . 1 1 2 2 GLN H H 2 8.334 8.334 8.277 0.057 19413 1748 1 3 . 1 1 3 3 ILE N N 3 120.380 120.380 119.887 0.493 19413 1749 1 3 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.557 -0.146 19413 1750 1 3 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.892 0.901 19413 1751 1 3 . 1 1 3 3 ILE CB C 3 39.691 39.691 39.396 0.295 19413 1752 1 3 . 1 1 3 3 ILE H H 3 8.197 8.197 8.195 0.002 19413 1753 1 3 . 1 1 4 4 THR N N 4 120.223 120.223 114.831 5.392 19413 1754 1 3 . 1 1 4 4 THR HA H 4 4.566 4.566 4.584 -0.018 19413 1755 1 3 . 1 1 4 4 THR CA C 4 61.500 61.500 60.756 0.744 19413 1756 1 3 . 1 1 4 4 THR CB C 4 71.727 71.727 71.437 0.290 19413 1757 1 3 . 1 1 4 4 THR H H 4 9.119 9.119 8.092 1.027 19413 1758 1 3 . 1 1 5 5 ASP N N 5 128.193 128.193 122.684 5.509 19413 1759 1 3 . 1 1 5 5 ASP HA H 5 3.146 3.146 2.945 0.201 19413 1760 1 3 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.448 0.901 19413 1761 1 3 . 1 1 5 5 ASP CB C 5 41.001 41.001 39.580 1.421 19413 1762 1 3 . 1 1 5 5 ASP H H 5 8.510 8.510 8.487 0.023 19413 1763 1 3 . 1 1 6 6 GLY N N 6 117.400 117.400 115.203 2.197 19413 1764 1 3 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.056 -0.074 19413 1765 1 3 . 1 1 6 6 GLY H H 6 8.608 8.608 8.540 0.068 19413 1766 1 3 . 1 1 7 7 LYS N N 7 122.122 122.122 120.730 1.392 19413 1767 1 3 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.334 0.268 19413 1768 1 3 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.493 -0.829 19413 1769 1 3 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.233 -1.470 19413 1770 1 3 . 1 1 7 7 LYS H H 7 8.131 8.131 7.506 0.625 19413 1771 1 3 . 1 1 8 8 GLN N N 8 115.920 115.920 115.554 0.366 19413 1772 1 3 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.644 -0.515 19413 1773 1 3 . 1 1 8 8 GLN CA C 8 59.067 59.067 56.925 2.143 19413 1774 1 3 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.248 -3.162 19413 1775 1 3 . 1 1 8 8 GLN H H 8 8.548 8.548 7.826 0.722 19413 1776 1 3 . 1 1 9 9 TYR N N 9 112.118 112.118 114.104 -1.986 19413 1777 1 3 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.511 -0.393 19413 1778 1 3 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.723 -0.985 19413 1779 1 3 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.360 -0.183 19413 1780 1 3 . 1 1 9 9 TYR H H 9 7.572 7.572 7.395 0.177 19413 1781 1 3 . 1 1 10 10 ILE N N 10 119.488 119.488 118.650 0.838 19413 1782 1 3 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.575 0.006 19413 1783 1 3 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.703 0.295 19413 1784 1 3 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.496 0.507 19413 1785 1 3 . 1 1 10 10 ILE H H 10 9.365 9.365 9.240 0.125 19413 1786 1 3 . 1 1 11 11 THR N N 11 126.054 126.054 117.066 8.988 19413 1787 1 3 . 1 1 11 11 THR HA H 11 4.837 4.837 5.281 -0.444 19413 1788 1 3 . 1 1 11 11 THR CA C 11 63.376 63.376 61.520 1.855 19413 1789 1 3 . 1 1 11 11 THR CB C 11 68.487 68.487 70.108 -1.621 19413 1790 1 3 . 1 1 11 11 THR H H 11 9.153 9.153 8.211 0.942 19413 1791 1 3 . 1 1 12 12 LEU N N 12 129.370 129.370 121.750 7.620 19413 1792 1 3 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.623 -0.374 19413 1793 1 3 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.215 1.071 19413 1794 1 3 . 1 1 12 12 LEU CB C 12 41.506 41.506 43.818 -2.312 19413 1795 1 3 . 1 1 12 12 LEU H H 12 8.636 8.636 8.332 0.304 19413 1796 1 3 . 1 1 13 13 ASP N N 13 122.179 122.179 122.720 -0.541 19413 1797 1 3 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.492 -0.054 19413 1798 1 3 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.762 -0.038 19413 1799 1 3 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.411 -0.526 19413 1800 1 3 . 1 1 13 13 ASP H H 13 8.494 8.494 8.393 0.101 19413 1801 1 3 . 1 1 14 14 LYS N N 14 119.361 119.361 119.660 -0.299 19413 1802 1 3 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.634 0.128 19413 1803 1 3 . 1 1 14 14 LYS CA C 14 52.487 52.487 54.236 -1.749 19413 1804 1 3 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.156 -0.253 19413 1805 1 3 . 1 1 14 14 LYS H H 14 7.714 7.714 8.005 -0.291 19413 1806 1 3 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.512 0.091 19413 1807 1 3 . 1 1 15 15 PRO CA C 15 62.261 62.261 63.433 -1.172 19413 1808 1 3 . 1 1 15 15 PRO CB C 15 32.697 32.697 32.466 0.231 19413 1809 1 3 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.326 0.036 19413 1810 1 3 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.934 -2.357 19413 1811 1 3 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.300 -1.058 19413 1812 1 3 . 1 1 17 17 ALA N N 17 130.287 130.287 129.989 0.298 19413 1813 1 3 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.474 -0.126 19413 1814 1 3 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.096 -0.445 19413 1815 1 3 . 1 1 17 17 ALA CB C 17 19.344 19.344 19.531 -0.187 19413 1816 1 3 . 1 1 17 17 ALA H H 17 8.396 8.396 8.387 0.009 19413 1817 1 3 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.136 0.082 19413 1818 1 3 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.462 -0.061 19413 1819 1 3 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.601 0.791 19413 1820 1 3 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.331 -0.653 19413 1821 1 3 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.679 0.359 19413 1822 1 3 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.415 -1.449 19413 1823 1 3 . 1 1 23 23 LEU CB C 23 46.113 46.113 45.573 0.540 19413 1824 1 3 . 1 1 24 24 GLU N N 24 127.720 127.720 122.286 5.434 19413 1825 1 3 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.024 0.581 19413 1826 1 3 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.650 -1.212 19413 1827 1 3 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.395 0.309 19413 1828 1 3 . 1 1 24 24 GLU H H 24 8.973 8.973 8.465 0.508 19413 1829 1 3 . 1 1 25 25 PHE N N 25 121.108 121.108 120.170 0.938 19413 1830 1 3 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.082 0.984 19413 1831 1 3 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.356 -1.411 19413 1832 1 3 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.215 1.792 19413 1833 1 3 . 1 1 25 25 PHE H H 25 9.266 9.266 7.373 1.893 19413 1834 1 3 . 1 1 26 26 PHE N N 26 120.125 120.125 122.712 -2.587 19413 1835 1 3 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.331 0.450 19413 1836 1 3 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.254 -1.416 19413 1837 1 3 . 1 1 26 26 PHE CB C 26 43.604 43.604 43.211 0.394 19413 1838 1 3 . 1 1 26 26 PHE H H 26 8.957 8.957 7.607 1.350 19413 1839 1 3 . 1 1 27 27 SER N N 27 109.643 109.643 113.514 -3.871 19413 1840 1 3 . 1 1 27 27 SER HA H 27 3.584 3.584 4.955 -1.371 19413 1841 1 3 . 1 1 27 27 SER CA C 27 54.556 54.556 55.326 -0.770 19413 1842 1 3 . 1 1 27 27 SER CB C 27 64.711 64.711 65.823 -1.112 19413 1843 1 3 . 1 1 27 27 SER H H 27 6.543 6.543 8.153 -1.610 19413 1844 1 3 . 1 1 28 28 PHE N N 28 132.096 132.096 122.633 9.463 19413 1845 1 3 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.622 0.745 19413 1846 1 3 . 1 1 28 28 PHE CA C 28 62.530 62.530 60.097 2.433 19413 1847 1 3 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.856 -0.213 19413 1848 1 3 . 1 1 28 28 PHE H H 28 11.199 11.199 9.280 1.919 19413 1849 1 3 . 1 1 29 29 TYR N N 29 115.582 115.582 114.593 0.989 19413 1850 1 3 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.571 -0.202 19413 1851 1 3 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.146 1.699 19413 1852 1 3 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.925 0.856 19413 1853 1 3 . 1 1 29 29 TYR H H 29 8.619 8.619 7.730 0.889 19413 1854 1 3 . 1 1 30 30 CYS N N 30 121.025 121.025 119.159 1.866 19413 1855 1 3 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.982 0.024 19413 1856 1 3 . 1 1 30 30 CYS CA C 30 52.459 52.459 54.395 -1.936 19413 1857 1 3 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.518 18.860 19413 1858 1 3 . 1 1 30 30 CYS H H 30 7.284 7.284 7.556 -0.272 19413 1859 1 3 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.811 0.266 19413 1860 1 3 . 1 1 31 31 PRO CA C 31 65.973 65.973 63.795 2.178 19413 1861 1 3 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.713 -0.505 19413 1862 1 3 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.200 0.404 19413 1863 1 3 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.574 -1.127 19413 1864 1 3 . 1 1 32 32 HIS CB C 32 30.054 30.054 27.673 2.381 19413 1865 1 3 . 1 1 33 33 CYS N N 33 117.365 117.365 120.859 -3.494 19413 1866 1 3 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.094 0.445 19413 1867 1 3 . 1 1 33 33 CYS CA C 33 63.192 63.192 63.447 -0.255 19413 1868 1 3 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.368 7.475 19413 1869 1 3 . 1 1 33 33 CYS H H 33 8.921 8.921 8.049 0.872 19413 1870 1 3 . 1 1 34 34 TYR N N 34 123.491 123.491 120.107 3.384 19413 1871 1 3 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.224 -1.462 19413 1872 1 3 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.044 -1.611 19413 1873 1 3 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.202 -0.717 19413 1874 1 3 . 1 1 34 34 TYR H H 34 7.650 7.650 7.963 -0.313 19413 1875 1 3 . 1 1 35 35 GLN N N 35 118.639 118.639 116.623 2.016 19413 1876 1 3 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.745 -0.033 19413 1877 1 3 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.750 -0.340 19413 1878 1 3 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.290 -0.357 19413 1879 1 3 . 1 1 35 35 GLN H H 35 7.641 7.641 7.940 -0.299 19413 1880 1 3 . 1 1 36 36 PHE N N 36 121.254 121.254 117.290 3.964 19413 1881 1 3 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.140 -0.110 19413 1882 1 3 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.980 -0.180 19413 1883 1 3 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.759 0.160 19413 1884 1 3 . 1 1 36 36 PHE H H 36 8.721 8.721 8.337 0.384 19413 1885 1 3 . 1 1 37 37 GLU N N 37 116.279 116.279 114.239 2.040 19413 1886 1 3 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.093 0.234 19413 1887 1 3 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.475 1.309 19413 1888 1 3 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.657 0.199 19413 1889 1 3 . 1 1 37 37 GLU H H 37 7.705 7.705 7.522 0.183 19413 1890 1 3 . 1 1 38 38 GLU N N 38 112.285 112.285 116.079 -3.794 19413 1891 1 3 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.652 0.354 19413 1892 1 3 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.790 -1.212 19413 1893 1 3 . 1 1 38 38 GLU CB C 38 29.783 29.783 32.246 -2.463 19413 1894 1 3 . 1 1 38 38 GLU H H 38 7.870 7.870 7.545 0.325 19413 1895 1 3 . 1 1 39 39 VAL N N 39 117.365 117.365 119.534 -2.169 19413 1896 1 3 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.899 0.109 19413 1897 1 3 . 1 1 39 39 VAL CA C 39 63.965 63.965 64.429 -0.464 19413 1898 1 3 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.905 -0.545 19413 1899 1 3 . 1 1 39 39 VAL H H 39 6.850 6.850 7.560 -0.710 19413 1900 1 3 . 1 1 40 40 LEU N N 40 116.098 116.098 117.611 -1.513 19413 1901 1 3 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.017 0.076 19413 1902 1 3 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.710 -0.611 19413 1903 1 3 . 1 1 40 40 LEU CB C 40 43.113 43.113 41.965 1.148 19413 1904 1 3 . 1 1 40 40 LEU H H 40 8.171 8.171 7.709 0.462 19413 1905 1 3 . 1 1 41 41 HIS N N 41 111.930 111.930 114.966 -3.036 19413 1906 1 3 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.078 0.428 19413 1907 1 3 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.527 -1.060 19413 1908 1 3 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.810 -1.207 19413 1909 1 3 . 1 1 41 41 HIS H H 41 6.459 6.459 7.365 -0.906 19413 1910 1 3 . 1 1 42 42 VAL N N 42 120.465 120.465 119.778 0.687 19413 1911 1 3 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.415 -0.387 19413 1912 1 3 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.567 1.405 19413 1913 1 3 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.440 -0.554 19413 1914 1 3 . 1 1 42 42 VAL H H 42 8.621 8.621 8.043 0.578 19413 1915 1 3 . 1 1 43 43 SER N N 43 113.968 113.968 114.491 -0.523 19413 1916 1 3 . 1 1 43 43 SER HA H 43 4.002 4.002 4.120 -0.118 19413 1917 1 3 . 1 1 43 43 SER CA C 43 61.242 61.242 62.307 -1.065 19413 1918 1 3 . 1 1 43 43 SER CB C 43 62.565 62.565 62.706 -0.141 19413 1919 1 3 . 1 1 43 43 SER H H 43 8.040 8.040 8.547 -0.507 19413 1920 1 3 . 1 1 44 44 ASP N N 44 121.731 121.731 122.552 -0.821 19413 1921 1 3 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.451 -0.037 19413 1922 1 3 . 1 1 44 44 ASP CA C 44 57.232 57.232 56.714 0.518 19413 1923 1 3 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.688 0.344 19413 1924 1 3 . 1 1 44 44 ASP H H 44 8.215 8.215 7.724 0.491 19413 1925 1 3 . 1 1 45 45 ASN N N 45 118.906 118.906 118.180 0.726 19413 1926 1 3 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.382 -0.110 19413 1927 1 3 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.450 0.872 19413 1928 1 3 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.872 0.755 19413 1929 1 3 . 1 1 45 45 ASN H H 45 7.860 7.860 7.584 0.276 19413 1930 1 3 . 1 1 46 46 VAL N N 46 119.934 119.934 119.180 0.754 19413 1931 1 3 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.630 -0.165 19413 1932 1 3 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.656 0.145 19413 1933 1 3 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.719 -0.370 19413 1934 1 3 . 1 1 46 46 VAL H H 46 8.583 8.583 8.231 0.352 19413 1935 1 3 . 1 1 47 47 ARG N N 47 119.655 119.655 119.935 -0.280 19413 1936 1 3 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.938 -0.117 19413 1937 1 3 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.487 0.315 19413 1938 1 3 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.884 0.453 19413 1939 1 3 . 1 1 47 47 ARG H H 47 8.522 8.522 8.521 0.001 19413 1940 1 3 . 1 1 48 48 GLN N N 48 115.072 115.072 117.669 -2.597 19413 1941 1 3 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.156 -0.038 19413 1942 1 3 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.260 -0.531 19413 1943 1 3 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.840 0.170 19413 1944 1 3 . 1 1 48 48 GLN H H 48 7.605 7.605 8.072 -0.467 19413 1945 1 3 . 1 1 49 49 LYS N N 49 116.858 116.858 115.788 1.070 19413 1946 1 3 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.432 -0.010 19413 1947 1 3 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.347 -0.542 19413 1948 1 3 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.885 -0.237 19413 1949 1 3 . 1 1 49 49 LYS H H 49 7.460 7.460 8.039 -0.579 19413 1950 1 3 . 1 1 50 50 LEU N N 50 119.786 119.786 123.583 -3.797 19413 1951 1 3 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.389 0.010 19413 1952 1 3 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.020 -0.091 19413 1953 1 3 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.800 -0.846 19413 1954 1 3 . 1 1 50 50 LEU H H 50 7.215 7.215 7.459 -0.244 19413 1955 1 3 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.660 -0.184 19413 1956 1 3 . 1 1 51 51 PRO CA C 51 62.272 62.272 61.964 0.308 19413 1957 1 3 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.497 -1.043 19413 1958 1 3 . 1 1 52 52 GLU N N 52 126.400 126.400 120.177 6.223 19413 1959 1 3 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.259 -0.159 19413 1960 1 3 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.241 1.874 19413 1961 1 3 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.054 1.282 19413 1962 1 3 . 1 1 52 52 GLU H H 52 8.935 8.935 8.666 0.269 19413 1963 1 3 . 1 1 53 53 GLY N N 53 113.671 113.671 114.415 -0.744 19413 1964 1 3 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.112 -0.266 19413 1965 1 3 . 1 1 53 53 GLY H H 53 8.948 8.948 8.303 0.645 19413 1966 1 3 . 1 1 54 54 THR N N 54 118.129 118.129 117.171 0.958 19413 1967 1 3 . 1 1 54 54 THR HA H 54 4.161 4.161 4.080 0.081 19413 1968 1 3 . 1 1 54 54 THR CA C 54 63.707 63.707 64.019 -0.312 19413 1969 1 3 . 1 1 54 54 THR CB C 54 68.784 68.784 69.153 -0.369 19413 1970 1 3 . 1 1 54 54 THR H H 54 7.696 7.696 7.716 -0.020 19413 1971 1 3 . 1 1 55 55 LYS N N 55 129.892 129.892 121.463 8.429 19413 1972 1 3 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.139 0.236 19413 1973 1 3 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.926 -1.091 19413 1974 1 3 . 1 1 55 55 LYS CB C 55 33.448 33.448 31.921 1.528 19413 1975 1 3 . 1 1 55 55 LYS H H 55 8.757 8.757 8.352 0.405 19413 1976 1 3 . 1 1 56 56 MET N N 56 125.391 125.391 118.486 6.905 19413 1977 1 3 . 1 1 56 56 MET HA H 56 5.258 5.258 4.448 0.810 19413 1978 1 3 . 1 1 56 56 MET CA C 56 54.436 54.436 56.787 -2.351 19413 1979 1 3 . 1 1 56 56 MET CB C 56 34.394 34.394 33.350 1.044 19413 1980 1 3 . 1 1 56 56 MET H H 56 8.512 8.512 8.233 0.279 19413 1981 1 3 . 1 1 57 57 THR N N 57 124.711 124.711 113.608 11.103 19413 1982 1 3 . 1 1 57 57 THR HA H 57 4.390 4.390 4.690 -0.300 19413 1983 1 3 . 1 1 57 57 THR CA C 57 61.942 61.942 60.988 0.954 19413 1984 1 3 . 1 1 57 57 THR CB C 57 70.952 70.952 71.083 -0.131 19413 1985 1 3 . 1 1 57 57 THR H H 57 8.830 8.830 8.442 0.388 19413 1986 1 3 . 1 1 58 58 LYS N N 58 126.113 126.113 122.253 3.860 19413 1987 1 3 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.723 0.559 19413 1988 1 3 . 1 1 58 58 LYS CA C 58 54.501 54.501 57.233 -2.732 19413 1989 1 3 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.593 0.824 19413 1990 1 3 . 1 1 58 58 LYS H H 58 8.739 8.739 8.695 0.044 19413 1991 1 3 . 1 1 59 59 TYR N N 59 127.472 127.472 124.671 2.801 19413 1992 1 3 . 1 1 59 59 TYR HA H 59 5.626 5.626 5.064 0.562 19413 1993 1 3 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.333 -3.508 19413 1994 1 3 . 1 1 59 59 TYR CB C 59 40.685 40.685 39.770 0.915 19413 1995 1 3 . 1 1 59 59 TYR H H 59 9.524 9.524 8.348 1.176 19413 1996 1 3 . 1 1 60 60 HIS N N 60 123.656 123.656 124.232 -0.576 19413 1997 1 3 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.037 -0.653 19413 1998 1 3 . 1 1 60 60 HIS CA C 60 55.467 55.467 56.462 -0.995 19413 1999 1 3 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.151 -0.332 19413 2000 1 3 . 1 1 60 60 HIS H H 60 9.284 9.284 8.445 0.839 19413 2001 1 3 . 1 1 61 61 VAL N N 61 112.397 112.397 116.845 -4.448 19413 2002 1 3 . 1 1 61 61 VAL HA H 61 4.737 4.737 5.041 -0.304 19413 2003 1 3 . 1 1 61 61 VAL CA C 61 58.079 58.079 58.846 -0.767 19413 2004 1 3 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.566 -1.681 19413 2005 1 3 . 1 1 61 61 VAL H H 61 6.262 6.262 7.959 -1.697 19413 2006 1 3 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.613 -0.572 19413 2007 1 3 . 1 1 62 62 GLU CA C 62 56.328 56.328 57.197 -0.869 19413 2008 1 3 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.315 0.437 19413 2009 1 3 . 1 1 63 63 PHE N N 63 111.215 111.215 120.492 -9.277 19413 2010 1 3 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.415 0.156 19413 2011 1 3 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.843 -2.134 19413 2012 1 3 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.236 -1.631 19413 2013 1 3 . 1 1 63 63 PHE H H 63 6.419 6.419 8.512 -2.093 19413 2014 1 3 . 1 1 64 64 LEU N N 64 119.701 119.701 116.640 3.061 19413 2015 1 3 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.513 0.182 19413 2016 1 3 . 1 1 64 64 LEU CA C 64 53.812 53.812 53.752 0.060 19413 2017 1 3 . 1 1 64 64 LEU CB C 64 44.338 44.338 44.737 -0.399 19413 2018 1 3 . 1 1 64 64 LEU H H 64 6.396 6.396 7.433 -1.037 19413 2019 1 3 . 1 1 65 65 GLY N N 65 108.957 108.957 106.568 2.389 19413 2020 1 3 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.694 -0.516 19413 2021 1 3 . 1 1 65 65 GLY H H 65 8.084 8.084 7.819 0.265 19413 2022 1 3 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.186 0.225 19413 2023 1 3 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.927 0.068 19413 2024 1 3 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.051 -0.260 19413 2025 1 3 . 1 1 67 67 LEU N N 67 114.479 114.479 119.255 -4.776 19413 2026 1 3 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.750 0.717 19413 2027 1 3 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.403 -1.510 19413 2028 1 3 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.674 -0.236 19413 2029 1 3 . 1 1 67 67 LEU H H 67 7.484 7.484 8.189 -0.705 19413 2030 1 3 . 1 1 68 68 GLY N N 68 108.957 108.957 109.449 -0.492 19413 2031 1 3 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.439 2.068 19413 2032 1 3 . 1 1 68 68 GLY H H 68 7.659 7.659 8.104 -0.445 19413 2033 1 3 . 1 1 69 69 LYS N N 69 124.459 124.459 121.516 2.943 19413 2034 1 3 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.121 -0.075 19413 2035 1 3 . 1 1 69 69 LYS CA C 69 61.036 61.036 59.254 1.782 19413 2036 1 3 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.296 -0.704 19413 2037 1 3 . 1 1 69 69 LYS H H 69 9.149 9.149 8.456 0.693 19413 2038 1 3 . 1 1 70 70 ASP N N 70 122.631 122.631 119.713 2.918 19413 2039 1 3 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.509 0.206 19413 2040 1 3 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.228 -0.333 19413 2041 1 3 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.600 1.557 19413 2042 1 3 . 1 1 70 70 ASP H H 70 8.519 8.519 8.389 0.130 19413 2043 1 3 . 1 1 71 71 LEU N N 71 119.276 119.276 121.020 -1.744 19413 2044 1 3 . 1 1 71 71 LEU HA H 71 4.237 4.237 4.052 0.185 19413 2045 1 3 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.591 -1.314 19413 2046 1 3 . 1 1 71 71 LEU CB C 71 43.077 43.077 42.043 1.034 19413 2047 1 3 . 1 1 71 71 LEU H H 71 9.421 9.421 8.738 0.683 19413 2048 1 3 . 1 1 72 72 THR N N 72 119.204 119.204 115.234 3.970 19413 2049 1 3 . 1 1 72 72 THR HA H 72 4.033 4.033 4.148 -0.115 19413 2050 1 3 . 1 1 72 72 THR CA C 72 67.403 67.403 67.866 -0.463 19413 2051 1 3 . 1 1 72 72 THR CB C 72 68.170 68.170 68.643 -0.473 19413 2052 1 3 . 1 1 72 72 THR H H 72 7.762 7.762 8.329 -0.567 19413 2053 1 3 . 1 1 73 73 GLN N N 73 125.845 125.845 121.382 4.463 19413 2054 1 3 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.780 -0.117 19413 2055 1 3 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.618 0.785 19413 2056 1 3 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.305 -2.746 19413 2057 1 3 . 1 1 73 73 GLN H H 73 7.822 7.822 8.051 -0.229 19413 2058 1 3 . 1 1 74 74 ALA N N 74 123.013 123.013 122.135 0.878 19413 2059 1 3 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.099 0.034 19413 2060 1 3 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.862 0.042 19413 2061 1 3 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.109 1.041 19413 2062 1 3 . 1 1 74 74 ALA H H 74 8.966 8.966 8.240 0.726 19413 2063 1 3 . 1 1 75 75 TRP N N 75 120.717 120.717 120.472 0.245 19413 2064 1 3 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.497 0.402 19413 2065 1 3 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.453 -1.381 19413 2066 1 3 . 1 1 75 75 TRP CB C 75 29.591 29.591 30.039 -0.448 19413 2067 1 3 . 1 1 75 75 TRP H H 75 8.932 8.932 8.236 0.696 19413 2068 1 3 . 1 1 76 76 ALA N N 76 119.394 119.394 120.391 -0.997 19413 2069 1 3 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.937 0.038 19413 2070 1 3 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.011 -0.133 19413 2071 1 3 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.061 2.104 19413 2072 1 3 . 1 1 76 76 ALA H H 76 7.650 7.650 7.843 -0.193 19413 2073 1 3 . 1 1 77 77 VAL N N 77 119.658 119.658 119.359 0.299 19413 2074 1 3 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.544 -0.320 19413 2075 1 3 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.792 0.116 19413 2076 1 3 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.383 -1.266 19413 2077 1 3 . 1 1 77 77 VAL H H 77 8.074 8.074 7.422 0.652 19413 2078 1 3 . 1 1 78 78 ALA N N 78 121.951 121.951 122.359 -0.408 19413 2079 1 3 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.085 -0.061 19413 2080 1 3 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.052 -0.211 19413 2081 1 3 . 1 1 78 78 ALA CB C 78 17.499 17.499 17.700 -0.201 19413 2082 1 3 . 1 1 78 78 ALA H H 78 8.421 8.421 7.589 0.832 19413 2083 1 3 . 1 1 79 79 ILE N N 79 118.384 118.384 118.997 -0.613 19413 2084 1 3 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.917 -0.301 19413 2085 1 3 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.366 -0.382 19413 2086 1 3 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.721 0.475 19413 2087 1 3 . 1 1 79 79 ILE H H 79 8.122 8.122 7.636 0.486 19413 2088 1 3 . 1 1 80 80 ALA N N 80 124.708 124.708 122.904 1.804 19413 2089 1 3 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.115 -0.137 19413 2090 1 3 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.914 0.001 19413 2091 1 3 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.793 -0.688 19413 2092 1 3 . 1 1 80 80 ALA H H 80 8.694 8.694 7.871 0.823 19413 2093 1 3 . 1 1 81 81 LEU N N 81 114.303 114.303 116.256 -1.953 19413 2094 1 3 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.537 -0.157 19413 2095 1 3 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.150 0.432 19413 2096 1 3 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.623 0.589 19413 2097 1 3 . 1 1 81 81 LEU H H 81 8.469 8.469 7.626 0.843 19413 2098 1 3 . 1 1 82 82 GLY N N 82 112.196 112.196 109.007 3.189 19413 2099 1 3 . 1 1 82 82 GLY CA C 82 46.958 46.958 46.140 0.818 19413 2100 1 3 . 1 1 82 82 GLY H H 82 7.955 7.955 7.605 0.350 19413 2101 1 3 . 1 1 83 83 VAL N N 83 109.426 109.426 110.627 -1.201 19413 2102 1 3 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.448 0.473 19413 2103 1 3 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.619 -1.437 19413 2104 1 3 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.498 -1.057 19413 2105 1 3 . 1 1 83 83 VAL H H 83 8.267 8.267 7.987 0.280 19413 2106 1 3 . 1 1 84 84 GLU N N 84 127.081 127.081 122.603 4.478 19413 2107 1 3 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.609 -0.025 19413 2108 1 3 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.969 0.387 19413 2109 1 3 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.929 0.041 19413 2110 1 3 . 1 1 84 84 GLU H H 84 10.566 10.566 8.207 2.359 19413 2111 1 3 . 1 1 85 85 ASP N N 85 117.467 117.467 116.501 0.966 19413 2112 1 3 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.510 0.077 19413 2113 1 3 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.577 -0.298 19413 2114 1 3 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.490 -0.758 19413 2115 1 3 . 1 1 85 85 ASP H H 85 8.946 8.946 8.895 0.051 19413 2116 1 3 . 1 1 86 86 LYS N N 86 119.121 119.121 116.999 2.122 19413 2117 1 3 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.174 0.245 19413 2118 1 3 . 1 1 86 86 LYS CA C 86 57.179 57.179 58.210 -1.031 19413 2119 1 3 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.130 0.295 19413 2120 1 3 . 1 1 86 86 LYS H H 86 7.745 7.745 7.755 -0.010 19413 2121 1 3 . 1 1 87 87 ILE N N 87 108.193 108.193 111.485 -3.292 19413 2122 1 3 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.419 -0.181 19413 2123 1 3 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.714 -1.394 19413 2124 1 3 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.453 1.546 19413 2125 1 3 . 1 1 87 87 ILE H H 87 7.343 7.343 7.476 -0.133 19413 2126 1 3 . 1 1 88 88 THR N N 88 119.455 119.455 118.805 0.650 19413 2127 1 3 . 1 1 88 88 THR HA H 88 4.053 4.053 4.331 -0.278 19413 2128 1 3 . 1 1 88 88 THR CA C 88 69.780 69.780 67.496 2.284 19413 2129 1 3 . 1 1 88 88 THR CB C 88 68.491 68.491 68.877 -0.386 19413 2130 1 3 . 1 1 88 88 THR H H 88 7.746 7.746 7.688 0.058 19413 2131 1 3 . 1 1 89 89 ALA N N 89 123.122 123.122 123.224 -0.102 19413 2132 1 3 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.255 0.345 19413 2133 1 3 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.803 0.488 19413 2134 1 3 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.539 -1.342 19413 2135 1 3 . 1 1 89 89 ALA H H 89 9.125 9.125 8.753 0.372 19413 2136 1 3 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.378 0.038 19413 2137 1 3 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.355 -0.134 19413 2138 1 3 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.258 0.153 19413 2139 1 3 . 1 1 91 91 MET N N 91 119.468 119.468 118.001 1.467 19413 2140 1 3 . 1 1 91 91 MET HA H 91 4.370 4.370 4.187 0.183 19413 2141 1 3 . 1 1 91 91 MET CA C 91 56.901 56.901 58.418 -1.517 19413 2142 1 3 . 1 1 91 91 MET CB C 91 30.059 30.059 32.087 -2.028 19413 2143 1 3 . 1 1 91 91 MET H H 91 8.176 8.176 7.627 0.549 19413 2144 1 3 . 1 1 92 92 PHE N N 92 120.720 120.720 119.393 1.327 19413 2145 1 3 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.346 0.172 19413 2146 1 3 . 1 1 92 92 PHE CA C 92 63.883 63.883 61.384 2.499 19413 2147 1 3 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.427 0.897 19413 2148 1 3 . 1 1 92 92 PHE H H 92 8.650 8.650 8.144 0.506 19413 2149 1 3 . 1 1 93 93 GLU N N 93 117.705 117.705 120.391 -2.686 19413 2150 1 3 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.052 0.014 19413 2151 1 3 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.853 -0.450 19413 2152 1 3 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.706 -0.064 19413 2153 1 3 . 1 1 93 93 GLU H H 93 8.240 8.240 8.559 -0.319 19413 2154 1 3 . 1 1 94 94 ALA N N 94 123.067 123.067 120.964 2.103 19413 2155 1 3 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.526 -0.075 19413 2156 1 3 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.436 -0.441 19413 2157 1 3 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.231 -0.228 19413 2158 1 3 . 1 1 94 94 ALA H H 94 8.431 8.431 7.829 0.602 19413 2159 1 3 . 1 1 95 95 VAL N N 95 115.582 115.582 115.567 0.015 19413 2160 1 3 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.892 -0.170 19413 2161 1 3 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.315 1.489 19413 2162 1 3 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.229 -0.490 19413 2163 1 3 . 1 1 95 95 VAL H H 95 8.467 8.467 7.826 0.641 19413 2164 1 3 . 1 1 96 96 GLN N N 96 113.295 113.295 117.447 -4.152 19413 2165 1 3 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.295 0.256 19413 2166 1 3 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.133 1.093 19413 2167 1 3 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.470 0.209 19413 2168 1 3 . 1 1 96 96 GLN H H 96 8.184 8.184 8.078 0.106 19413 2169 1 3 . 1 1 97 97 LYS N N 97 118.621 118.621 119.996 -1.375 19413 2170 1 3 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.123 0.564 19413 2171 1 3 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.717 -1.558 19413 2172 1 3 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.073 -0.531 19413 2173 1 3 . 1 1 97 97 LYS H H 97 8.231 8.231 7.735 0.496 19413 2174 1 3 . 1 1 98 98 THR N N 98 110.486 110.486 106.879 3.607 19413 2175 1 3 . 1 1 98 98 THR HA H 98 4.285 4.285 4.393 -0.108 19413 2176 1 3 . 1 1 98 98 THR CA C 98 62.420 62.420 61.812 0.607 19413 2177 1 3 . 1 1 98 98 THR CB C 98 68.343 68.343 70.750 -2.407 19413 2178 1 3 . 1 1 98 98 THR H H 98 8.612 8.612 8.103 0.509 19413 2179 1 3 . 1 1 99 99 GLN N N 99 115.751 115.751 116.648 -0.897 19413 2180 1 3 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.217 -0.032 19413 2181 1 3 . 1 1 99 99 GLN CA C 99 56.986 56.986 56.897 0.089 19413 2182 1 3 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.356 -0.733 19413 2183 1 3 . 1 1 99 99 GLN H H 99 6.979 6.979 7.976 -0.997 19413 2184 1 3 . 1 1 100 100 THR N N 100 108.660 108.660 112.850 -4.190 19413 2185 1 3 . 1 1 100 100 THR HA H 100 4.350 4.350 4.110 0.240 19413 2186 1 3 . 1 1 100 100 THR CA C 100 61.035 61.035 64.330 -3.295 19413 2187 1 3 . 1 1 100 100 THR CB C 100 68.306 68.306 69.467 -1.161 19413 2188 1 3 . 1 1 100 100 THR H H 100 8.362 8.362 7.786 0.576 19413 2189 1 3 . 1 1 101 101 VAL N N 101 121.417 121.417 123.047 -1.630 19413 2190 1 3 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.728 0.465 19413 2191 1 3 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.640 -2.673 19413 2192 1 3 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.191 0.158 19413 2193 1 3 . 1 1 101 101 VAL H H 101 7.376 7.376 7.767 -0.391 19413 2194 1 3 . 1 1 102 102 GLN N N 102 127.472 127.472 124.912 2.560 19413 2195 1 3 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.529 0.035 19413 2196 1 3 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.866 -0.750 19413 2197 1 3 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.894 -1.126 19413 2198 1 3 . 1 1 102 102 GLN H H 102 9.583 9.583 8.434 1.149 19413 2199 1 3 . 1 1 103 103 SER N N 103 116.698 116.698 114.907 1.791 19413 2200 1 3 . 1 1 103 103 SER HA H 103 4.883 4.883 4.785 0.098 19413 2201 1 3 . 1 1 103 103 SER CA C 103 56.423 56.423 57.152 -0.729 19413 2202 1 3 . 1 1 103 103 SER CB C 103 66.834 66.834 65.353 1.481 19413 2203 1 3 . 1 1 103 103 SER H H 103 8.539 8.539 7.657 0.882 19413 2204 1 3 . 1 1 104 104 VAL N N 104 120.375 120.375 122.904 -2.529 19413 2205 1 3 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.571 0.169 19413 2206 1 3 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.335 -0.579 19413 2207 1 3 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.451 -0.522 19413 2208 1 3 . 1 1 104 104 VAL H H 104 8.929 8.929 8.668 0.261 19413 2209 1 3 . 1 1 105 105 ALA N N 105 125.255 125.255 120.158 5.097 19413 2210 1 3 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.036 -0.036 19413 2211 1 3 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.705 0.201 19413 2212 1 3 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.753 0.300 19413 2213 1 3 . 1 1 105 105 ALA H H 105 8.099 8.099 8.256 -0.157 19413 2214 1 3 . 1 1 106 106 ASP N N 106 118.317 118.317 119.493 -1.176 19413 2215 1 3 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.472 -0.097 19413 2216 1 3 . 1 1 106 106 ASP CA C 106 56.664 56.664 57.552 -0.888 19413 2217 1 3 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.419 1.349 19413 2218 1 3 . 1 1 106 106 ASP H H 106 7.603 7.603 7.862 -0.259 19413 2219 1 3 . 1 1 107 107 ILE N N 107 120.210 120.210 119.623 0.587 19413 2220 1 3 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.715 -0.384 19413 2221 1 3 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.789 0.820 19413 2222 1 3 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.698 0.192 19413 2223 1 3 . 1 1 107 107 ILE H H 107 7.342 7.342 7.371 -0.029 19413 2224 1 3 . 1 1 108 108 ARG N N 108 119.234 119.234 118.022 1.212 19413 2225 1 3 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.856 -1.059 19413 2226 1 3 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.174 0.482 19413 2227 1 3 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.705 1.137 19413 2228 1 3 . 1 1 108 108 ARG H H 108 6.677 6.677 8.312 -1.635 19413 2229 1 3 . 1 1 109 109 LYS N N 109 117.662 117.662 120.206 -2.544 19413 2230 1 3 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.986 -0.140 19413 2231 1 3 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.635 -0.416 19413 2232 1 3 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.277 -0.303 19413 2233 1 3 . 1 1 109 109 LYS H H 109 7.164 7.164 7.588 -0.424 19413 2234 1 3 . 1 1 110 110 VAL N N 110 118.257 118.257 119.393 -1.136 19413 2235 1 3 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.628 0.013 19413 2236 1 3 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.109 -0.047 19413 2237 1 3 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.555 -0.331 19413 2238 1 3 . 1 1 110 110 VAL H H 110 7.269 7.269 7.516 -0.247 19413 2239 1 3 . 1 1 111 111 PHE N N 111 118.699 118.699 118.623 0.076 19413 2240 1 3 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.160 -0.250 19413 2241 1 3 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.871 -1.391 19413 2242 1 3 . 1 1 111 111 PHE CB C 111 38.423 38.423 37.867 0.556 19413 2243 1 3 . 1 1 111 111 PHE H H 111 7.411 7.411 7.894 -0.483 19413 2244 1 3 . 1 1 112 112 VAL N N 112 121.527 121.527 120.097 1.430 19413 2245 1 3 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.988 0.623 19413 2246 1 3 . 1 1 112 112 VAL CA C 112 64.719 64.719 66.046 -1.327 19413 2247 1 3 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.560 -0.189 19413 2248 1 3 . 1 1 112 112 VAL H H 112 8.424 8.424 7.558 0.866 19413 2249 1 3 . 1 1 113 113 ASP N N 113 124.032 124.032 119.037 4.995 19413 2250 1 3 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.498 -0.051 19413 2251 1 3 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.524 0.154 19413 2252 1 3 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.634 -1.354 19413 2253 1 3 . 1 1 113 113 ASP H H 113 9.048 9.048 8.254 0.794 19413 2254 1 3 . 1 1 114 114 ALA N N 114 121.399 121.399 120.324 1.075 19413 2255 1 3 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.219 0.248 19413 2256 1 3 . 1 1 114 114 ALA CA C 114 51.878 51.878 53.636 -1.758 19413 2257 1 3 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.894 -1.281 19413 2258 1 3 . 1 1 114 114 ALA H H 114 7.505 7.505 8.266 -0.761 19413 2259 1 3 . 1 1 115 115 GLY N N 115 105.755 105.755 104.594 1.161 19413 2260 1 3 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.857 0.246 19413 2261 1 3 . 1 1 115 115 GLY H H 115 7.895 7.895 7.860 0.035 19413 2262 1 3 . 1 1 116 116 VAL N N 116 124.542 124.542 121.619 2.923 19413 2263 1 3 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.194 -0.174 19413 2264 1 3 . 1 1 116 116 VAL CA C 116 61.601 61.601 61.712 -0.111 19413 2265 1 3 . 1 1 116 116 VAL CB C 116 31.739 31.739 33.190 -1.451 19413 2266 1 3 . 1 1 116 116 VAL H H 116 8.095 8.095 8.069 0.026 19413 2267 1 3 . 1 1 117 117 LYS N N 117 128.363 128.363 129.068 -0.705 19413 2268 1 3 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.162 0.022 19413 2269 1 3 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.394 -0.309 19413 2270 1 3 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.902 -1.090 19413 2271 1 3 . 1 1 117 117 LYS H H 117 9.102 9.102 9.046 0.056 19413 2272 1 3 . 1 1 118 118 GLY N N 118 116.049 116.049 114.487 1.562 19413 2273 1 3 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.116 0.552 19413 2274 1 3 . 1 1 118 118 GLY H H 118 9.300 9.300 9.029 0.271 19413 2275 1 3 . 1 1 119 119 GLU N N 119 118.512 118.512 118.595 -0.083 19413 2276 1 3 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.267 -0.041 19413 2277 1 3 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.700 0.823 19413 2278 1 3 . 1 1 119 119 GLU CB C 119 28.813 28.813 28.931 -0.118 19413 2279 1 3 . 1 1 119 119 GLU H H 119 9.501 9.501 8.667 0.834 19413 2280 1 3 . 1 1 120 120 ASP N N 120 121.262 121.262 119.637 1.625 19413 2281 1 3 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.686 -0.107 19413 2282 1 3 . 1 1 120 120 ASP CA C 120 56.559 56.559 55.615 0.944 19413 2283 1 3 . 1 1 120 120 ASP CB C 120 39.632 39.632 42.353 -2.721 19413 2284 1 3 . 1 1 120 120 ASP H H 120 7.088 7.088 7.587 -0.499 19413 2285 1 3 . 1 1 121 121 TYR N N 121 123.619 123.619 122.275 1.344 19413 2286 1 3 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.056 -0.334 19413 2287 1 3 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.760 0.391 19413 2288 1 3 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.408 -0.406 19413 2289 1 3 . 1 1 121 121 TYR H H 121 7.986 7.986 8.826 -0.840 19413 2290 1 3 . 1 1 122 122 ASP N N 122 119.702 119.702 117.857 1.845 19413 2291 1 3 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.618 -0.364 19413 2292 1 3 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.369 0.753 19413 2293 1 3 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.285 -0.674 19413 2294 1 3 . 1 1 122 122 ASP H H 122 8.812 8.812 8.322 0.490 19413 2295 1 3 . 1 1 123 123 ALA N N 123 121.138 121.138 121.181 -0.043 19413 2296 1 3 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.279 -0.053 19413 2297 1 3 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.052 0.178 19413 2298 1 3 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.384 -1.258 19413 2299 1 3 . 1 1 123 123 ALA H H 123 7.696 7.696 7.170 0.526 19413 2300 1 3 . 1 1 124 124 ALA N N 124 120.299 120.299 122.444 -2.145 19413 2301 1 3 . 1 1 124 124 ALA HA H 124 4.106 4.106 3.970 0.136 19413 2302 1 3 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.898 -0.572 19413 2303 1 3 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.267 0.298 19413 2304 1 3 . 1 1 124 124 ALA H H 124 7.935 7.935 8.470 -0.535 19413 2305 1 3 . 1 1 125 125 TRP N N 125 121.357 121.357 119.571 1.786 19413 2306 1 3 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.215 -0.739 19413 2307 1 3 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.607 0.856 19413 2308 1 3 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.392 -1.015 19413 2309 1 3 . 1 1 125 125 TRP H H 125 8.948 8.948 8.622 0.326 19413 2310 1 3 . 1 1 126 126 ASN N N 126 110.817 110.817 112.646 -1.829 19413 2311 1 3 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.685 0.158 19413 2312 1 3 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.679 -0.157 19413 2313 1 3 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.829 0.241 19413 2314 1 3 . 1 1 126 126 ASN H H 126 7.024 7.024 7.747 -0.723 19413 2315 1 3 . 1 1 127 127 SER N N 127 116.650 116.650 115.752 0.898 19413 2316 1 3 . 1 1 127 127 SER HA H 127 4.472 4.472 4.107 0.365 19413 2317 1 3 . 1 1 127 127 SER CA C 127 58.535 58.535 56.396 2.139 19413 2318 1 3 . 1 1 127 127 SER CB C 127 65.513 65.513 64.020 1.493 19413 2319 1 3 . 1 1 127 127 SER H H 127 7.831 7.831 7.651 0.180 19413 2320 1 3 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.419 -0.141 19413 2321 1 3 . 1 1 128 128 PHE CA C 128 61.055 61.055 58.179 2.876 19413 2322 1 3 . 1 1 128 128 PHE CB C 128 38.368 38.368 37.308 1.060 19413 2323 1 3 . 1 1 129 129 VAL N N 129 120.058 120.058 121.480 -1.422 19413 2324 1 3 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.672 0.042 19413 2325 1 3 . 1 1 129 129 VAL CA C 129 65.672 65.672 67.217 -1.545 19413 2326 1 3 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.197 0.581 19413 2327 1 3 . 1 1 129 129 VAL H H 129 8.340 8.340 7.657 0.683 19413 2328 1 3 . 1 1 130 130 VAL N N 130 122.552 122.552 118.548 4.004 19413 2329 1 3 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.562 -0.051 19413 2330 1 3 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.769 0.065 19413 2331 1 3 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.325 -0.101 19413 2332 1 3 . 1 1 130 130 VAL H H 130 7.163 7.163 7.660 -0.497 19413 2333 1 3 . 1 1 131 131 LYS N N 131 122.079 122.079 120.393 1.686 19413 2334 1 3 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.805 -0.049 19413 2335 1 3 . 1 1 131 131 LYS CA C 131 59.734 59.734 60.455 -0.721 19413 2336 1 3 . 1 1 131 131 LYS CB C 131 31.518 31.518 32.010 -0.492 19413 2337 1 3 . 1 1 131 131 LYS H H 131 7.852 7.852 7.730 0.122 19413 2338 1 3 . 1 1 132 132 SER N N 132 115.836 115.836 115.721 0.115 19413 2339 1 3 . 1 1 132 132 SER HA H 132 4.155 4.155 4.240 -0.085 19413 2340 1 3 . 1 1 132 132 SER CA C 132 61.022 61.022 61.158 -0.136 19413 2341 1 3 . 1 1 132 132 SER CB C 132 62.309 62.309 63.161 -0.852 19413 2342 1 3 . 1 1 132 132 SER H H 132 8.258 8.258 8.354 -0.096 19413 2343 1 3 . 1 1 133 133 LEU N N 133 124.754 124.754 123.172 1.582 19413 2344 1 3 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.963 0.234 19413 2345 1 3 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.879 -0.315 19413 2346 1 3 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.917 2.244 19413 2347 1 3 . 1 1 133 133 LEU H H 133 8.140 8.140 7.545 0.595 19413 2348 1 3 . 1 1 134 134 VAL N N 134 123.461 123.461 119.489 3.972 19413 2349 1 3 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.534 -0.253 19413 2350 1 3 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.975 1.882 19413 2351 1 3 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.115 -0.259 19413 2352 1 3 . 1 1 134 134 VAL H H 134 8.718 8.718 8.530 0.188 19413 2353 1 3 . 1 1 135 135 ALA N N 135 121.739 121.739 119.977 1.762 19413 2354 1 3 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.951 0.213 19413 2355 1 3 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.195 -0.266 19413 2356 1 3 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.295 -0.869 19413 2357 1 3 . 1 1 135 135 ALA H H 135 7.513 7.513 7.538 -0.025 19413 2358 1 3 . 1 1 136 136 GLN N N 136 119.033 119.033 118.443 0.590 19413 2359 1 3 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.873 0.203 19413 2360 1 3 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.319 -0.210 19413 2361 1 3 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.541 0.544 19413 2362 1 3 . 1 1 136 136 GLN H H 136 8.473 8.473 7.811 0.662 19413 2363 1 3 . 1 1 137 137 GLN N N 137 119.734 119.734 119.136 0.598 19413 2364 1 3 . 1 1 137 137 GLN HA H 137 3.512 3.512 3.794 -0.282 19413 2365 1 3 . 1 1 137 137 GLN CA C 137 59.882 59.882 59.663 0.219 19413 2366 1 3 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.678 2.165 19413 2367 1 3 . 1 1 137 137 GLN H H 137 7.995 7.995 8.371 -0.376 19413 2368 1 3 . 1 1 138 138 GLU N N 138 121.309 121.309 116.659 4.650 19413 2369 1 3 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.336 -0.401 19413 2370 1 3 . 1 1 138 138 GLU CA C 138 58.977 58.977 57.551 1.426 19413 2371 1 3 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.116 -0.151 19413 2372 1 3 . 1 1 138 138 GLU H H 138 8.291 8.291 7.981 0.310 19413 2373 1 3 . 1 1 139 139 LYS N N 139 122.121 122.121 120.210 1.911 19413 2374 1 3 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.179 -0.062 19413 2375 1 3 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.482 0.442 19413 2376 1 3 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.802 -0.210 19413 2377 1 3 . 1 1 139 139 LYS H H 139 8.603 8.603 8.252 0.351 19413 2378 1 3 . 1 1 140 140 ALA N N 140 120.286 120.286 121.948 -1.662 19413 2379 1 3 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.135 0.275 19413 2380 1 3 . 1 1 140 140 ALA CA C 140 55.063 55.063 54.877 0.186 19413 2381 1 3 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.666 -0.220 19413 2382 1 3 . 1 1 140 140 ALA H H 140 8.140 8.140 7.971 0.169 19413 2383 1 3 . 1 1 141 141 ALA N N 141 116.994 116.994 118.967 -1.973 19413 2384 1 3 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.141 -0.493 19413 2385 1 3 . 1 1 141 141 ALA CA C 141 54.515 54.515 53.950 0.565 19413 2386 1 3 . 1 1 141 141 ALA CB C 141 18.001 18.001 18.707 -0.706 19413 2387 1 3 . 1 1 141 141 ALA H H 141 7.251 7.251 8.362 -1.111 19413 2388 1 3 . 1 1 142 142 ALA N N 142 121.272 121.272 118.319 2.953 19413 2389 1 3 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.379 -0.195 19413 2390 1 3 . 1 1 142 142 ALA CA C 142 54.657 54.657 51.734 2.923 19413 2391 1 3 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.719 -0.502 19413 2392 1 3 . 1 1 142 142 ALA H H 142 7.940 7.940 7.655 0.285 19413 2393 1 3 . 1 1 143 143 ASP N N 143 121.599 121.599 121.590 0.009 19413 2394 1 3 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.414 -0.078 19413 2395 1 3 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.497 0.478 19413 2396 1 3 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.432 -1.397 19413 2397 1 3 . 1 1 143 143 ASP H H 143 9.272 9.272 7.840 1.432 19413 2398 1 3 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.811 -0.700 19413 2399 1 3 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.673 -1.126 19413 2400 1 3 . 1 1 144 144 LEU CB C 144 41.055 41.055 40.840 0.215 19413 2401 1 3 . 1 1 145 145 GLN N N 145 116.940 116.940 118.152 -1.212 19413 2402 1 3 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.295 -0.543 19413 2403 1 3 . 1 1 145 145 GLN CA C 145 55.823 55.823 57.001 -1.178 19413 2404 1 3 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.301 -3.169 19413 2405 1 3 . 1 1 145 145 GLN H H 145 7.750 7.750 8.368 -0.618 19413 2406 1 3 . 1 1 146 146 LEU N N 146 119.399 119.399 119.325 0.074 19413 2407 1 3 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.543 -0.657 19413 2408 1 3 . 1 1 146 146 LEU CA C 146 56.313 56.313 54.368 1.945 19413 2409 1 3 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.483 -0.341 19413 2410 1 3 . 1 1 146 146 LEU H H 146 7.516 7.516 7.447 0.069 19413 2411 1 3 . 1 1 147 147 GLN N N 147 123.118 123.118 116.838 6.280 19413 2412 1 3 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.804 0.343 19413 2413 1 3 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.525 -1.658 19413 2414 1 3 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.050 3.475 19413 2415 1 3 . 1 1 147 147 GLN H H 147 8.895 8.895 8.039 0.856 19413 2416 1 3 . 1 1 148 148 GLY N N 148 106.555 106.555 106.111 0.444 19413 2417 1 3 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.918 0.186 19413 2418 1 3 . 1 1 148 148 GLY H H 148 7.275 7.275 7.707 -0.432 19413 2419 1 3 . 1 1 149 149 VAL N N 149 110.030 110.030 119.225 -9.195 19413 2420 1 3 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.695 -0.224 19413 2421 1 3 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.403 -0.766 19413 2422 1 3 . 1 1 149 149 VAL CB C 149 34.682 34.682 31.965 2.717 19413 2423 1 3 . 1 1 149 149 VAL H H 149 8.267 8.267 7.930 0.337 19413 2424 1 3 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.507 0.303 19413 2425 1 3 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.536 -0.392 19413 2426 1 3 . 1 1 150 150 PRO CB C 150 34.926 34.926 31.636 3.290 19413 2427 1 3 . 1 1 151 151 ALA N N 151 123.567 123.567 127.422 -3.855 19413 2428 1 3 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.610 0.275 19413 2429 1 3 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.001 0.624 19413 2430 1 3 . 1 1 151 151 ALA CB C 151 24.847 24.847 21.792 3.055 19413 2431 1 3 . 1 1 151 151 ALA H H 151 8.249 8.249 7.897 0.352 19413 2432 1 3 . 1 1 152 152 MET N N 152 121.866 121.866 122.838 -0.972 19413 2433 1 3 . 1 1 152 152 MET HA H 152 5.724 5.724 4.750 0.974 19413 2434 1 3 . 1 1 152 152 MET CA C 152 55.487 55.487 54.617 0.870 19413 2435 1 3 . 1 1 152 152 MET CB C 152 36.830 36.830 34.798 2.032 19413 2436 1 3 . 1 1 152 152 MET H H 152 8.610 8.610 8.313 0.297 19413 2437 1 3 . 1 1 153 153 TYR N N 153 124.782 124.782 125.114 -0.332 19413 2438 1 3 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.475 0.279 19413 2439 1 3 . 1 1 153 153 TYR CA C 153 56.208 56.208 56.963 -0.755 19413 2440 1 3 . 1 1 153 153 TYR CB C 153 42.990 42.990 40.761 2.229 19413 2441 1 3 . 1 1 153 153 TYR H H 153 9.685 9.685 8.694 0.991 19413 2442 1 3 . 1 1 154 154 VAL N N 154 121.914 121.914 119.184 2.730 19413 2443 1 3 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.300 -0.640 19413 2444 1 3 . 1 1 154 154 VAL H H 154 9.441 9.441 9.046 0.395 19413 2445 1 3 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.380 0.359 19413 2446 1 3 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.576 -0.103 19413 2447 1 3 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.072 -0.918 19413 2448 1 3 . 1 1 156 156 GLY N N 156 106.059 106.059 101.723 4.336 19413 2449 1 3 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.903 0.283 19413 2450 1 3 . 1 1 156 156 GLY H H 156 9.354 9.354 8.550 0.804 19413 2451 1 3 . 1 1 157 157 LYS N N 157 114.357 114.357 115.947 -1.590 19413 2452 1 3 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.409 0.143 19413 2453 1 3 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.801 0.954 19413 2454 1 3 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.471 2.317 19413 2455 1 3 . 1 1 157 157 LYS H H 157 7.877 7.877 7.775 0.102 19413 2456 1 3 . 1 1 158 158 TYR N N 158 117.900 117.900 119.484 -1.584 19413 2457 1 3 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.582 0.282 19413 2458 1 3 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.067 -1.211 19413 2459 1 3 . 1 1 158 158 TYR CB C 158 42.879 42.879 41.720 1.159 19413 2460 1 3 . 1 1 158 158 TYR H H 158 7.876 7.876 8.219 -0.343 19413 2461 1 3 . 1 1 159 159 GLN N N 159 125.094 125.094 120.855 4.239 19413 2462 1 3 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.091 -0.338 19413 2463 1 3 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.460 -0.054 19413 2464 1 3 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.059 -1.210 19413 2465 1 3 . 1 1 159 159 GLN H H 159 9.701 9.701 9.047 0.654 19413 2466 1 3 . 1 1 160 160 LEU N N 160 131.941 131.941 124.384 7.557 19413 2467 1 3 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.194 -0.183 19413 2468 1 3 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.463 -1.468 19413 2469 1 3 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.300 -1.226 19413 2470 1 3 . 1 1 160 160 LEU H H 160 8.551 8.551 8.080 0.471 19413 2471 1 3 . 1 1 161 161 ASN N N 161 118.639 118.639 122.667 -4.028 19413 2472 1 3 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.223 0.273 19413 2473 1 3 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.889 -0.120 19413 2474 1 3 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.230 -0.319 19413 2475 1 3 . 1 1 161 161 ASN H H 161 8.285 8.285 8.479 -0.194 19413 2476 1 3 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.789 0.000 19413 2477 1 3 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.075 -0.301 19413 2478 1 3 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.574 -0.396 19413 2479 1 3 . 1 1 163 163 GLN N N 163 116.006 116.006 118.890 -2.884 19413 2480 1 3 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.167 0.059 19413 2481 1 3 . 1 1 163 163 GLN CA C 163 57.966 57.966 58.262 -0.296 19413 2482 1 3 . 1 1 163 163 GLN CB C 163 27.976 27.976 27.854 0.122 19413 2483 1 3 . 1 1 163 163 GLN H H 163 8.086 8.086 8.059 0.027 19413 2484 1 3 . 1 1 164 164 GLY N N 164 107.393 107.393 107.343 0.050 19413 2485 1 3 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.593 0.010 19413 2486 1 3 . 1 1 164 164 GLY H H 164 8.030 8.030 7.811 0.219 19413 2487 1 3 . 1 1 165 165 MET N N 165 119.802 119.802 119.757 0.045 19413 2488 1 3 . 1 1 165 165 MET HA H 165 4.636 4.636 4.492 0.144 19413 2489 1 3 . 1 1 165 165 MET CA C 165 54.567 54.567 55.962 -1.395 19413 2490 1 3 . 1 1 165 165 MET CB C 165 34.464 34.464 33.901 0.563 19413 2491 1 3 . 1 1 165 165 MET H H 165 7.451 7.451 7.605 -0.154 19413 2492 1 3 . 1 1 166 166 ASP N N 166 121.681 121.681 119.898 1.783 19413 2493 1 3 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.628 0.005 19413 2494 1 3 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.748 -0.568 19413 2495 1 3 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.053 -0.400 19413 2496 1 3 . 1 1 166 166 ASP H H 166 8.694 8.694 8.734 -0.040 19413 2497 1 3 . 1 1 167 167 THR N N 167 112.609 112.609 115.667 -3.058 19413 2498 1 3 . 1 1 167 167 THR HA H 167 4.224 4.224 4.701 -0.477 19413 2499 1 3 . 1 1 167 167 THR CA C 167 60.340 60.340 61.291 -0.951 19413 2500 1 3 . 1 1 167 167 THR CB C 167 68.416 68.416 68.416 -0.000 19413 2501 1 3 . 1 1 167 167 THR H H 167 7.860 7.860 8.270 -0.410 19413 2502 1 3 . 1 1 168 168 SER N N 168 118.936 118.936 116.768 2.168 19413 2503 1 3 . 1 1 168 168 SER HA H 168 4.158 4.158 4.659 -0.501 19413 2504 1 3 . 1 1 168 168 SER CA C 168 60.874 60.874 58.364 2.510 19413 2505 1 3 . 1 1 168 168 SER CB C 168 63.123 63.123 63.563 -0.440 19413 2506 1 3 . 1 1 168 168 SER H H 168 8.739 8.739 8.292 0.447 19413 2507 1 3 . 1 1 169 169 ASN N N 169 117.875 117.875 118.716 -0.841 19413 2508 1 3 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.869 -0.096 19413 2509 1 3 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.315 -0.967 19413 2510 1 3 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.314 0.378 19413 2511 1 3 . 1 1 169 169 ASN H H 169 7.341 7.341 8.329 -0.988 19413 2512 1 3 . 1 1 170 170 MET N N 170 123.431 123.431 116.085 7.346 19413 2513 1 3 . 1 1 170 170 MET HA H 170 4.600 4.600 4.067 0.533 19413 2514 1 3 . 1 1 170 170 MET CA C 170 57.233 57.233 58.398 -1.165 19413 2515 1 3 . 1 1 170 170 MET CB C 170 32.751 32.751 30.169 2.582 19413 2516 1 3 . 1 1 170 170 MET H H 170 9.186 9.186 8.331 0.855 19413 2517 1 3 . 1 1 171 171 ASP N N 171 120.825 120.825 120.922 -0.097 19413 2518 1 3 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.382 0.111 19413 2519 1 3 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.349 0.157 19413 2520 1 3 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.549 -0.761 19413 2521 1 3 . 1 1 171 171 ASP H H 171 8.232 8.232 8.352 -0.120 19413 2522 1 3 . 1 1 172 172 VAL N N 172 122.666 122.666 117.991 4.675 19413 2523 1 3 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.873 -0.095 19413 2524 1 3 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.131 0.408 19413 2525 1 3 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.540 0.315 19413 2526 1 3 . 1 1 172 172 VAL H H 172 7.872 7.872 7.855 0.017 19413 2527 1 3 . 1 1 173 173 PHE N N 173 121.872 121.872 123.034 -1.162 19413 2528 1 3 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.365 0.015 19413 2529 1 3 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.437 0.027 19413 2530 1 3 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.985 0.289 19413 2531 1 3 . 1 1 173 173 PHE H H 173 8.250 8.250 7.764 0.486 19413 2532 1 3 . 1 1 174 174 VAL N N 174 117.535 117.535 118.561 -1.026 19413 2533 1 3 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.016 0.027 19413 2534 1 3 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.872 1.031 19413 2535 1 3 . 1 1 174 174 VAL CB C 174 31.371 31.371 31.053 0.318 19413 2536 1 3 . 1 1 174 174 VAL H H 174 8.138 8.138 7.587 0.551 19413 2537 1 3 . 1 1 175 175 ALA N N 175 121.129 121.129 121.991 -0.862 19413 2538 1 3 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.882 0.244 19413 2539 1 3 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.062 -0.294 19413 2540 1 3 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.295 -0.280 19413 2541 1 3 . 1 1 175 175 ALA H H 175 7.396 7.396 7.640 -0.244 19413 2542 1 3 . 1 1 176 176 GLN N N 176 120.043 120.043 117.171 2.872 19413 2543 1 3 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.122 -0.043 19413 2544 1 3 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.092 0.870 19413 2545 1 3 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.339 -1.290 19413 2546 1 3 . 1 1 176 176 GLN H H 176 8.721 8.721 7.524 1.197 19413 2547 1 3 . 1 1 177 177 TYR N N 177 127.981 127.981 122.670 5.311 19413 2548 1 3 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.954 -0.363 19413 2549 1 3 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.621 -0.059 19413 2550 1 3 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.028 -0.050 19413 2551 1 3 . 1 1 177 177 TYR H H 177 9.002 9.002 8.367 0.635 19413 2552 1 3 . 1 1 178 178 ALA N N 178 119.796 119.796 119.334 0.462 19413 2553 1 3 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.947 0.083 19413 2554 1 3 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.355 0.050 19413 2555 1 3 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.810 0.159 19413 2556 1 3 . 1 1 178 178 ALA H H 178 8.392 8.392 8.397 -0.005 19413 2557 1 3 . 1 1 179 179 ASP N N 179 117.823 117.823 117.806 0.017 19413 2558 1 3 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.393 0.026 19413 2559 1 3 . 1 1 179 179 ASP CA C 179 57.296 57.296 56.980 0.316 19413 2560 1 3 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.642 1.161 19413 2561 1 3 . 1 1 179 179 ASP H H 179 8.379 8.379 7.409 0.970 19413 2562 1 3 . 1 1 180 180 THR N N 180 117.846 117.846 116.344 1.502 19413 2563 1 3 . 1 1 180 180 THR HA H 180 4.179 4.179 4.133 0.046 19413 2564 1 3 . 1 1 180 180 THR CA C 180 67.378 67.378 64.702 2.676 19413 2565 1 3 . 1 1 180 180 THR CB C 180 67.733 67.733 68.399 -0.666 19413 2566 1 3 . 1 1 180 180 THR H H 180 8.255 8.255 7.730 0.525 19413 2567 1 3 . 1 1 181 181 VAL N N 181 120.101 120.101 121.312 -1.211 19413 2568 1 3 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.490 -0.309 19413 2569 1 3 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.766 1.014 19413 2570 1 3 . 1 1 181 181 VAL CB C 181 30.931 30.931 30.920 0.011 19413 2571 1 3 . 1 1 181 181 VAL H H 181 7.772 7.772 7.915 -0.143 19413 2572 1 3 . 1 1 182 182 LYS N N 182 119.144 119.144 119.107 0.037 19413 2573 1 3 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.943 -0.313 19413 2574 1 3 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.272 1.089 19413 2575 1 3 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.070 0.210 19413 2576 1 3 . 1 1 182 182 LYS H H 182 7.758 7.758 7.445 0.313 19413 2577 1 3 . 1 1 183 183 GLN N N 183 116.269 116.269 118.506 -2.237 19413 2578 1 3 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.158 -0.173 19413 2579 1 3 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.431 0.852 19413 2580 1 3 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.638 0.685 19413 2581 1 3 . 1 1 183 183 GLN H H 183 8.114 8.114 8.232 -0.118 19413 2582 1 3 . 1 1 184 184 LEU N N 184 119.688 119.688 119.163 0.525 19413 2583 1 3 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.819 -0.184 19413 2584 1 3 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.646 0.395 19413 2585 1 3 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.554 0.506 19413 2586 1 3 . 1 1 184 184 LEU H H 184 8.000 8.000 7.731 0.269 19413 2587 1 3 . 1 1 185 185 VAL N N 185 121.017 121.017 116.211 4.806 19413 2588 1 3 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.832 -0.320 19413 2589 1 3 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.103 0.639 19413 2590 1 3 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.728 -0.164 19413 2591 1 3 . 1 1 185 185 VAL H H 185 8.494 8.494 7.468 1.026 19413 2592 1 3 . 1 1 186 186 GLU N N 186 117.535 117.535 114.982 2.553 19413 2593 1 3 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.283 -0.163 19413 2594 1 3 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.556 0.603 19413 2595 1 3 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.859 -0.070 19413 2596 1 3 . 1 1 186 186 GLU H H 186 7.541 7.541 7.465 0.076 19413 2597 1 3 . 1 1 187 187 LYS N N 187 121.929 121.929 120.946 0.983 19413 2598 1 3 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.391 -0.265 19413 2599 1 3 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.025 2.723 19413 2600 1 3 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.584 1.134 19413 2601 1 3 . 1 1 187 187 LYS H H 187 7.358 7.358 7.156 0.202 19413 2602 1 4 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.821 -0.050 19413 2603 1 4 . 1 1 0 0 ASN CA C 0 53.288 53.288 52.392 0.896 19413 2604 1 4 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.698 -0.777 19413 2605 1 4 . 1 1 1 1 ALA N N 1 125.275 125.275 121.117 4.158 19413 2606 1 4 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.005 0.314 19413 2607 1 4 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.673 -1.641 19413 2608 1 4 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.978 1.146 19413 2609 1 4 . 1 1 1 1 ALA H H 1 8.441 8.441 8.787 -0.346 19413 2610 1 4 . 1 1 2 2 GLN N N 2 121.120 121.120 116.619 4.501 19413 2611 1 4 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.578 -0.099 19413 2612 1 4 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.290 0.123 19413 2613 1 4 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.438 -1.944 19413 2614 1 4 . 1 1 2 2 GLN H H 2 8.334 8.334 8.268 0.066 19413 2615 1 4 . 1 1 3 3 ILE N N 3 120.380 120.380 120.014 0.366 19413 2616 1 4 . 1 1 3 3 ILE HA H 3 4.411 4.411 5.005 -0.594 19413 2617 1 4 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.126 1.667 19413 2618 1 4 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.927 -1.236 19413 2619 1 4 . 1 1 3 3 ILE H H 3 8.197 8.197 7.953 0.244 19413 2620 1 4 . 1 1 4 4 THR N N 4 120.223 120.223 116.223 4.000 19413 2621 1 4 . 1 1 4 4 THR HA H 4 4.566 4.566 4.635 -0.069 19413 2622 1 4 . 1 1 4 4 THR CA C 4 61.500 61.500 61.708 -0.208 19413 2623 1 4 . 1 1 4 4 THR CB C 4 71.727 71.727 72.438 -0.711 19413 2624 1 4 . 1 1 4 4 THR H H 4 9.119 9.119 8.640 0.479 19413 2625 1 4 . 1 1 5 5 ASP N N 5 128.193 128.193 124.289 3.904 19413 2626 1 4 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.145 0.001 19413 2627 1 4 . 1 1 5 5 ASP CA C 5 55.349 55.349 55.280 0.069 19413 2628 1 4 . 1 1 5 5 ASP CB C 5 41.001 41.001 41.277 -0.276 19413 2629 1 4 . 1 1 5 5 ASP H H 5 8.510 8.510 8.360 0.150 19413 2630 1 4 . 1 1 6 6 GLY N N 6 117.400 117.400 113.640 3.760 19413 2631 1 4 . 1 1 6 6 GLY CA C 6 44.982 44.982 46.020 -1.038 19413 2632 1 4 . 1 1 6 6 GLY H H 6 8.608 8.608 8.360 0.248 19413 2633 1 4 . 1 1 7 7 LYS N N 7 122.122 122.122 120.594 1.528 19413 2634 1 4 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.373 0.229 19413 2635 1 4 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.388 -0.723 19413 2636 1 4 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.514 -1.751 19413 2637 1 4 . 1 1 7 7 LYS H H 7 8.131 8.131 7.439 0.692 19413 2638 1 4 . 1 1 8 8 GLN N N 8 115.920 115.920 114.426 1.494 19413 2639 1 4 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.546 -0.417 19413 2640 1 4 . 1 1 8 8 GLN CA C 8 59.067 59.067 56.671 2.396 19413 2641 1 4 . 1 1 8 8 GLN CB C 8 27.086 27.086 31.200 -4.114 19413 2642 1 4 . 1 1 8 8 GLN H H 8 8.548 8.548 7.495 1.053 19413 2643 1 4 . 1 1 9 9 TYR N N 9 112.118 112.118 114.547 -2.429 19413 2644 1 4 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.520 -0.402 19413 2645 1 4 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.626 -0.888 19413 2646 1 4 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.509 -0.332 19413 2647 1 4 . 1 1 9 9 TYR H H 9 7.572 7.572 7.287 0.285 19413 2648 1 4 . 1 1 10 10 ILE N N 10 119.488 119.488 118.165 1.323 19413 2649 1 4 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.831 -0.250 19413 2650 1 4 . 1 1 10 10 ILE CA C 10 58.998 58.998 59.162 -0.164 19413 2651 1 4 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.240 0.763 19413 2652 1 4 . 1 1 10 10 ILE H H 10 9.365 9.365 9.147 0.218 19413 2653 1 4 . 1 1 11 11 THR N N 11 126.054 126.054 120.116 5.938 19413 2654 1 4 . 1 1 11 11 THR HA H 11 4.837 4.837 5.281 -0.444 19413 2655 1 4 . 1 1 11 11 THR CA C 11 63.376 63.376 62.068 1.308 19413 2656 1 4 . 1 1 11 11 THR CB C 11 68.487 68.487 69.812 -1.325 19413 2657 1 4 . 1 1 11 11 THR H H 11 9.153 9.153 8.676 0.477 19413 2658 1 4 . 1 1 12 12 LEU N N 12 129.370 129.370 122.287 7.083 19413 2659 1 4 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.728 -0.479 19413 2660 1 4 . 1 1 12 12 LEU CA C 12 55.286 55.286 53.966 1.320 19413 2661 1 4 . 1 1 12 12 LEU CB C 12 41.506 41.506 44.120 -2.614 19413 2662 1 4 . 1 1 12 12 LEU H H 12 8.636 8.636 8.185 0.451 19413 2663 1 4 . 1 1 13 13 ASP N N 13 122.179 122.179 120.675 1.504 19413 2664 1 4 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.570 -0.132 19413 2665 1 4 . 1 1 13 13 ASP CA C 13 55.724 55.724 56.055 -0.331 19413 2666 1 4 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.530 -0.645 19413 2667 1 4 . 1 1 13 13 ASP H H 13 8.494 8.494 8.400 0.094 19413 2668 1 4 . 1 1 14 14 LYS N N 14 119.361 119.361 120.011 -0.650 19413 2669 1 4 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.674 0.088 19413 2670 1 4 . 1 1 14 14 LYS CA C 14 52.487 52.487 54.097 -1.610 19413 2671 1 4 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.333 -0.430 19413 2672 1 4 . 1 1 14 14 LYS H H 14 7.714 7.714 8.211 -0.497 19413 2673 1 4 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.494 0.109 19413 2674 1 4 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.657 -0.396 19413 2675 1 4 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.259 2.438 19413 2676 1 4 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.160 0.202 19413 2677 1 4 . 1 1 16 16 ILE CA C 16 58.576 58.576 61.224 -2.647 19413 2678 1 4 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.359 -1.117 19413 2679 1 4 . 1 1 17 17 ALA N N 17 130.287 130.287 129.106 1.181 19413 2680 1 4 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.040 0.308 19413 2681 1 4 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.921 -0.270 19413 2682 1 4 . 1 1 17 17 ALA CB C 17 19.344 19.344 17.992 1.352 19413 2683 1 4 . 1 1 17 17 ALA H H 17 8.396 8.396 8.197 0.199 19413 2684 1 4 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.205 0.013 19413 2685 1 4 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.205 0.196 19413 2686 1 4 . 1 1 20 20 PRO CA C 20 63.392 63.392 63.532 -0.140 19413 2687 1 4 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.007 -0.329 19413 2688 1 4 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.865 0.173 19413 2689 1 4 . 1 1 23 23 LEU CA C 23 52.966 52.966 53.274 -0.308 19413 2690 1 4 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.108 0.006 19413 2691 1 4 . 1 1 24 24 GLU N N 24 127.720 127.720 119.242 8.478 19413 2692 1 4 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.229 0.376 19413 2693 1 4 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.527 -1.089 19413 2694 1 4 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.418 0.286 19413 2695 1 4 . 1 1 24 24 GLU H H 24 8.973 8.973 8.482 0.491 19413 2696 1 4 . 1 1 25 25 PHE N N 25 121.108 121.108 120.561 0.547 19413 2697 1 4 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.655 0.411 19413 2698 1 4 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.090 -1.145 19413 2699 1 4 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.748 1.258 19413 2700 1 4 . 1 1 25 25 PHE H H 25 9.266 9.266 8.929 0.337 19413 2701 1 4 . 1 1 26 26 PHE N N 26 120.125 120.125 119.440 0.685 19413 2702 1 4 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.013 -0.232 19413 2703 1 4 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.715 -1.877 19413 2704 1 4 . 1 1 26 26 PHE CB C 26 43.604 43.604 40.724 2.880 19413 2705 1 4 . 1 1 26 26 PHE H H 26 8.957 8.957 8.731 0.226 19413 2706 1 4 . 1 1 27 27 SER N N 27 109.643 109.643 114.573 -4.930 19413 2707 1 4 . 1 1 27 27 SER HA H 27 3.584 3.584 4.317 -0.733 19413 2708 1 4 . 1 1 27 27 SER CA C 27 54.556 54.556 55.776 -1.220 19413 2709 1 4 . 1 1 27 27 SER CB C 27 64.711 64.711 65.320 -0.609 19413 2710 1 4 . 1 1 27 27 SER H H 27 6.543 6.543 8.367 -1.824 19413 2711 1 4 . 1 1 28 28 PHE N N 28 132.096 132.096 119.177 12.919 19413 2712 1 4 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.726 0.641 19413 2713 1 4 . 1 1 28 28 PHE CA C 28 62.530 62.530 55.661 6.869 19413 2714 1 4 . 1 1 28 28 PHE CB C 28 38.643 38.643 37.767 0.876 19413 2715 1 4 . 1 1 28 28 PHE H H 28 11.199 11.199 8.662 2.537 19413 2716 1 4 . 1 1 29 29 TYR N N 29 115.582 115.582 118.057 -2.475 19413 2717 1 4 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.468 -0.099 19413 2718 1 4 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.209 1.636 19413 2719 1 4 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.547 1.234 19413 2720 1 4 . 1 1 29 29 TYR H H 29 8.619 8.619 7.559 1.060 19413 2721 1 4 . 1 1 30 30 CYS N N 30 121.025 121.025 119.380 1.645 19413 2722 1 4 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.809 0.197 19413 2723 1 4 . 1 1 30 30 CYS CA C 30 52.459 52.459 56.060 -3.601 19413 2724 1 4 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.256 19.122 19413 2725 1 4 . 1 1 30 30 CYS H H 30 7.284 7.284 8.053 -0.769 19413 2726 1 4 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.735 0.342 19413 2727 1 4 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.560 1.413 19413 2728 1 4 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.386 -0.178 19413 2729 1 4 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.450 0.154 19413 2730 1 4 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.593 -2.146 19413 2731 1 4 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.840 1.214 19413 2732 1 4 . 1 1 33 33 CYS N N 33 117.365 117.365 117.000 0.365 19413 2733 1 4 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.447 0.092 19413 2734 1 4 . 1 1 33 33 CYS CA C 33 63.192 63.192 60.534 2.658 19413 2735 1 4 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.838 8.005 19413 2736 1 4 . 1 1 33 33 CYS H H 33 8.921 8.921 8.549 0.372 19413 2737 1 4 . 1 1 34 34 TYR N N 34 123.491 123.491 123.322 0.169 19413 2738 1 4 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.371 -1.609 19413 2739 1 4 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.794 -2.361 19413 2740 1 4 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.286 -0.801 19413 2741 1 4 . 1 1 34 34 TYR H H 34 7.650 7.650 7.715 -0.065 19413 2742 1 4 . 1 1 35 35 GLN N N 35 118.639 118.639 117.100 1.539 19413 2743 1 4 . 1 1 35 35 GLN HA H 35 3.712 3.712 4.001 -0.289 19413 2744 1 4 . 1 1 35 35 GLN CA C 35 58.410 58.410 59.162 -0.752 19413 2745 1 4 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.256 -0.323 19413 2746 1 4 . 1 1 35 35 GLN H H 35 7.641 7.641 8.187 -0.546 19413 2747 1 4 . 1 1 36 36 PHE N N 36 121.254 121.254 116.893 4.361 19413 2748 1 4 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.267 -0.237 19413 2749 1 4 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.501 0.300 19413 2750 1 4 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.604 0.315 19413 2751 1 4 . 1 1 36 36 PHE H H 36 8.721 8.721 8.454 0.267 19413 2752 1 4 . 1 1 37 37 GLU N N 37 116.279 116.279 116.141 0.138 19413 2753 1 4 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.618 -0.291 19413 2754 1 4 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.297 1.487 19413 2755 1 4 . 1 1 37 37 GLU CB C 37 30.856 30.856 31.154 -0.298 19413 2756 1 4 . 1 1 37 37 GLU H H 37 7.705 7.705 7.819 -0.114 19413 2757 1 4 . 1 1 38 38 GLU N N 38 112.285 112.285 116.918 -4.633 19413 2758 1 4 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.654 0.352 19413 2759 1 4 . 1 1 38 38 GLU CA C 38 55.578 55.578 57.019 -1.441 19413 2760 1 4 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.654 -1.871 19413 2761 1 4 . 1 1 38 38 GLU H H 38 7.870 7.870 8.038 -0.168 19413 2762 1 4 . 1 1 39 39 VAL N N 39 117.365 117.365 118.515 -1.150 19413 2763 1 4 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.967 0.041 19413 2764 1 4 . 1 1 39 39 VAL CA C 39 63.965 63.965 64.039 -0.074 19413 2765 1 4 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.011 -0.651 19413 2766 1 4 . 1 1 39 39 VAL H H 39 6.850 6.850 7.643 -0.793 19413 2767 1 4 . 1 1 40 40 LEU N N 40 116.098 116.098 117.348 -1.250 19413 2768 1 4 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.052 0.041 19413 2769 1 4 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.966 -0.867 19413 2770 1 4 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.221 0.892 19413 2771 1 4 . 1 1 40 40 LEU H H 40 8.171 8.171 7.790 0.381 19413 2772 1 4 . 1 1 41 41 HIS N N 41 111.930 111.930 114.174 -2.244 19413 2773 1 4 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.217 0.289 19413 2774 1 4 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.107 -1.640 19413 2775 1 4 . 1 1 41 41 HIS CB C 41 25.603 25.603 27.000 -1.397 19413 2776 1 4 . 1 1 41 41 HIS H H 41 6.459 6.459 7.537 -1.078 19413 2777 1 4 . 1 1 42 42 VAL N N 42 120.465 120.465 120.090 0.375 19413 2778 1 4 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.393 -0.365 19413 2779 1 4 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.507 1.465 19413 2780 1 4 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.075 -0.189 19413 2781 1 4 . 1 1 42 42 VAL H H 42 8.621 8.621 7.833 0.788 19413 2782 1 4 . 1 1 43 43 SER N N 43 113.968 113.968 114.730 -0.762 19413 2783 1 4 . 1 1 43 43 SER HA H 43 4.002 4.002 3.989 0.013 19413 2784 1 4 . 1 1 43 43 SER CA C 43 61.242 61.242 61.176 0.066 19413 2785 1 4 . 1 1 43 43 SER CB C 43 62.565 62.565 62.765 -0.200 19413 2786 1 4 . 1 1 43 43 SER H H 43 8.040 8.040 7.838 0.202 19413 2787 1 4 . 1 1 44 44 ASP N N 44 121.731 121.731 122.320 -0.589 19413 2788 1 4 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.417 -0.003 19413 2789 1 4 . 1 1 44 44 ASP CA C 44 57.232 57.232 56.112 1.120 19413 2790 1 4 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.962 0.070 19413 2791 1 4 . 1 1 44 44 ASP H H 44 8.215 8.215 7.700 0.515 19413 2792 1 4 . 1 1 45 45 ASN N N 45 118.906 118.906 118.304 0.602 19413 2793 1 4 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.406 -0.134 19413 2794 1 4 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.428 0.894 19413 2795 1 4 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.865 0.762 19413 2796 1 4 . 1 1 45 45 ASN H H 45 7.860 7.860 8.119 -0.259 19413 2797 1 4 . 1 1 46 46 VAL N N 46 119.934 119.934 119.225 0.709 19413 2798 1 4 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.696 -0.231 19413 2799 1 4 . 1 1 46 46 VAL CA C 46 66.801 66.801 65.847 0.954 19413 2800 1 4 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.221 0.128 19413 2801 1 4 . 1 1 46 46 VAL H H 46 8.583 8.583 8.560 0.023 19413 2802 1 4 . 1 1 47 47 ARG N N 47 119.655 119.655 118.679 0.976 19413 2803 1 4 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.929 -0.108 19413 2804 1 4 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.256 0.546 19413 2805 1 4 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.899 0.439 19413 2806 1 4 . 1 1 47 47 ARG H H 47 8.522 8.522 7.510 1.012 19413 2807 1 4 . 1 1 48 48 GLN N N 48 115.072 115.072 116.180 -1.108 19413 2808 1 4 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.333 -0.215 19413 2809 1 4 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.020 0.709 19413 2810 1 4 . 1 1 48 48 GLN CB C 48 29.010 29.010 29.136 -0.126 19413 2811 1 4 . 1 1 48 48 GLN H H 48 7.605 7.605 7.510 0.095 19413 2812 1 4 . 1 1 49 49 LYS N N 49 116.858 116.858 117.307 -0.449 19413 2813 1 4 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.478 -0.056 19413 2814 1 4 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.456 -0.652 19413 2815 1 4 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.785 -0.137 19413 2816 1 4 . 1 1 49 49 LYS H H 49 7.460 7.460 7.874 -0.414 19413 2817 1 4 . 1 1 50 50 LEU N N 50 119.786 119.786 123.135 -3.349 19413 2818 1 4 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.351 0.048 19413 2819 1 4 . 1 1 50 50 LEU CA C 50 52.928 52.928 54.068 -1.140 19413 2820 1 4 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.807 -0.853 19413 2821 1 4 . 1 1 50 50 LEU H H 50 7.215 7.215 7.572 -0.357 19413 2822 1 4 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.613 -0.137 19413 2823 1 4 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.835 -0.563 19413 2824 1 4 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.286 -0.832 19413 2825 1 4 . 1 1 52 52 GLU N N 52 126.400 126.400 119.088 7.312 19413 2826 1 4 . 1 1 52 52 GLU HA H 52 4.100 4.100 3.887 0.213 19413 2827 1 4 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.044 1.071 19413 2828 1 4 . 1 1 52 52 GLU CB C 52 29.336 29.336 27.633 1.703 19413 2829 1 4 . 1 1 52 52 GLU H H 52 8.935 8.935 8.901 0.034 19413 2830 1 4 . 1 1 53 53 GLY N N 53 113.671 113.671 106.475 7.196 19413 2831 1 4 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.630 -0.784 19413 2832 1 4 . 1 1 53 53 GLY H H 53 8.948 8.948 8.309 0.639 19413 2833 1 4 . 1 1 54 54 THR N N 54 118.129 118.129 117.303 0.826 19413 2834 1 4 . 1 1 54 54 THR HA H 54 4.161 4.161 4.015 0.146 19413 2835 1 4 . 1 1 54 54 THR CA C 54 63.707 63.707 63.175 0.532 19413 2836 1 4 . 1 1 54 54 THR CB C 54 68.784 68.784 67.213 1.571 19413 2837 1 4 . 1 1 54 54 THR H H 54 7.696 7.696 8.270 -0.574 19413 2838 1 4 . 1 1 55 55 LYS N N 55 129.892 129.892 125.748 4.144 19413 2839 1 4 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.214 0.161 19413 2840 1 4 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.546 -0.711 19413 2841 1 4 . 1 1 55 55 LYS CB C 55 33.448 33.448 33.094 0.354 19413 2842 1 4 . 1 1 55 55 LYS H H 55 8.757 8.757 8.153 0.604 19413 2843 1 4 . 1 1 56 56 MET N N 56 125.391 125.391 124.395 0.996 19413 2844 1 4 . 1 1 56 56 MET HA H 56 5.258 5.258 5.128 0.130 19413 2845 1 4 . 1 1 56 56 MET CA C 56 54.436 54.436 54.850 -0.414 19413 2846 1 4 . 1 1 56 56 MET CB C 56 34.394 34.394 33.238 1.156 19413 2847 1 4 . 1 1 56 56 MET H H 56 8.512 8.512 8.387 0.125 19413 2848 1 4 . 1 1 57 57 THR N N 57 124.711 124.711 115.194 9.517 19413 2849 1 4 . 1 1 57 57 THR HA H 57 4.390 4.390 4.567 -0.177 19413 2850 1 4 . 1 1 57 57 THR CA C 57 61.942 61.942 61.605 0.337 19413 2851 1 4 . 1 1 57 57 THR CB C 57 70.952 70.952 71.140 -0.188 19413 2852 1 4 . 1 1 57 57 THR H H 57 8.830 8.830 8.332 0.498 19413 2853 1 4 . 1 1 58 58 LYS N N 58 126.113 126.113 124.802 1.311 19413 2854 1 4 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.267 0.015 19413 2855 1 4 . 1 1 58 58 LYS CA C 58 54.501 54.501 55.962 -1.461 19413 2856 1 4 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.047 1.371 19413 2857 1 4 . 1 1 58 58 LYS H H 58 8.739 8.739 8.837 -0.098 19413 2858 1 4 . 1 1 59 59 TYR N N 59 127.472 127.472 124.551 2.921 19413 2859 1 4 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.925 0.701 19413 2860 1 4 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.782 -3.957 19413 2861 1 4 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.429 0.256 19413 2862 1 4 . 1 1 59 59 TYR H H 59 9.524 9.524 9.294 0.230 19413 2863 1 4 . 1 1 60 60 HIS N N 60 123.656 123.656 116.910 6.746 19413 2864 1 4 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.369 -0.985 19413 2865 1 4 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.012 2.455 19413 2866 1 4 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.931 -1.112 19413 2867 1 4 . 1 1 60 60 HIS H H 60 9.284 9.284 8.026 1.258 19413 2868 1 4 . 1 1 61 61 VAL N N 61 112.397 112.397 114.791 -2.394 19413 2869 1 4 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.817 -0.080 19413 2870 1 4 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.605 -1.526 19413 2871 1 4 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.847 -1.962 19413 2872 1 4 . 1 1 61 61 VAL H H 61 6.262 6.262 7.731 -1.469 19413 2873 1 4 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.383 -0.342 19413 2874 1 4 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.962 -0.633 19413 2875 1 4 . 1 1 62 62 GLU CB C 62 29.752 29.752 28.696 1.056 19413 2876 1 4 . 1 1 63 63 PHE N N 63 111.215 111.215 120.107 -8.892 19413 2877 1 4 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.510 0.061 19413 2878 1 4 . 1 1 63 63 PHE CA C 63 57.709 57.709 58.445 -0.736 19413 2879 1 4 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.313 -1.708 19413 2880 1 4 . 1 1 63 63 PHE H H 63 6.419 6.419 8.156 -1.737 19413 2881 1 4 . 1 1 64 64 LEU N N 64 119.701 119.701 119.608 0.093 19413 2882 1 4 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.506 0.189 19413 2883 1 4 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.157 -0.345 19413 2884 1 4 . 1 1 64 64 LEU CB C 64 44.338 44.338 45.064 -0.726 19413 2885 1 4 . 1 1 64 64 LEU H H 64 6.396 6.396 7.464 -1.068 19413 2886 1 4 . 1 1 65 65 GLY N N 65 108.957 108.957 108.649 0.308 19413 2887 1 4 . 1 1 65 65 GLY CA C 65 43.178 43.178 44.122 -0.944 19413 2888 1 4 . 1 1 65 65 GLY H H 65 8.084 8.084 8.118 -0.034 19413 2889 1 4 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.358 0.053 19413 2890 1 4 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.703 0.293 19413 2891 1 4 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.238 -0.447 19413 2892 1 4 . 1 1 67 67 LEU N N 67 114.479 114.479 120.535 -6.056 19413 2893 1 4 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.830 0.637 19413 2894 1 4 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.292 -1.399 19413 2895 1 4 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.080 0.358 19413 2896 1 4 . 1 1 67 67 LEU H H 67 7.484 7.484 8.131 -0.647 19413 2897 1 4 . 1 1 68 68 GLY N N 68 108.957 108.957 110.005 -1.048 19413 2898 1 4 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.368 2.139 19413 2899 1 4 . 1 1 68 68 GLY H H 68 7.659 7.659 8.232 -0.573 19413 2900 1 4 . 1 1 69 69 LYS N N 69 124.459 124.459 120.996 3.463 19413 2901 1 4 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.032 0.014 19413 2902 1 4 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.735 2.301 19413 2903 1 4 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.044 -0.452 19413 2904 1 4 . 1 1 69 69 LYS H H 69 9.149 9.149 8.368 0.781 19413 2905 1 4 . 1 1 70 70 ASP N N 70 122.631 122.631 119.772 2.859 19413 2906 1 4 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.465 0.250 19413 2907 1 4 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.056 -0.161 19413 2908 1 4 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.351 1.806 19413 2909 1 4 . 1 1 70 70 ASP H H 70 8.519 8.519 8.390 0.129 19413 2910 1 4 . 1 1 71 71 LEU N N 71 119.276 119.276 120.337 -1.061 19413 2911 1 4 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.771 0.466 19413 2912 1 4 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.170 -0.894 19413 2913 1 4 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.401 1.675 19413 2914 1 4 . 1 1 71 71 LEU H H 71 9.421 9.421 8.003 1.418 19413 2915 1 4 . 1 1 72 72 THR N N 72 119.204 119.204 114.610 4.594 19413 2916 1 4 . 1 1 72 72 THR HA H 72 4.033 4.033 3.084 0.949 19413 2917 1 4 . 1 1 72 72 THR CA C 72 67.403 67.403 65.804 1.599 19413 2918 1 4 . 1 1 72 72 THR CB C 72 68.170 68.170 67.609 0.561 19413 2919 1 4 . 1 1 72 72 THR H H 72 7.762 7.762 7.549 0.213 19413 2920 1 4 . 1 1 73 73 GLN N N 73 125.845 125.845 121.280 4.565 19413 2921 1 4 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.591 0.072 19413 2922 1 4 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.574 0.829 19413 2923 1 4 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.162 -2.603 19413 2924 1 4 . 1 1 73 73 GLN H H 73 7.822 7.822 7.488 0.334 19413 2925 1 4 . 1 1 74 74 ALA N N 74 123.013 123.013 121.953 1.060 19413 2926 1 4 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.177 -0.044 19413 2927 1 4 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.063 -0.159 19413 2928 1 4 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.235 0.915 19413 2929 1 4 . 1 1 74 74 ALA H H 74 8.966 8.966 8.129 0.837 19413 2930 1 4 . 1 1 75 75 TRP N N 75 120.717 120.717 119.586 1.131 19413 2931 1 4 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.361 0.538 19413 2932 1 4 . 1 1 75 75 TRP CA C 75 59.072 59.072 59.993 -0.922 19413 2933 1 4 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.956 -0.365 19413 2934 1 4 . 1 1 75 75 TRP H H 75 8.932 8.932 8.903 0.029 19413 2935 1 4 . 1 1 76 76 ALA N N 76 119.394 119.394 121.272 -1.878 19413 2936 1 4 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.918 0.057 19413 2937 1 4 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.211 -0.333 19413 2938 1 4 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.967 2.198 19413 2939 1 4 . 1 1 76 76 ALA H H 76 7.650 7.650 7.953 -0.303 19413 2940 1 4 . 1 1 77 77 VAL N N 77 119.658 119.658 119.736 -0.078 19413 2941 1 4 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.574 -0.350 19413 2942 1 4 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.938 -0.030 19413 2943 1 4 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.357 -1.240 19413 2944 1 4 . 1 1 77 77 VAL H H 77 8.074 8.074 7.578 0.496 19413 2945 1 4 . 1 1 78 78 ALA N N 78 121.951 121.951 122.129 -0.178 19413 2946 1 4 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.204 -0.180 19413 2947 1 4 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.115 -0.274 19413 2948 1 4 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.049 -0.550 19413 2949 1 4 . 1 1 78 78 ALA H H 78 8.421 8.421 7.503 0.918 19413 2950 1 4 . 1 1 79 79 ILE N N 79 118.384 118.384 118.403 -0.019 19413 2951 1 4 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.497 0.119 19413 2952 1 4 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.581 -0.597 19413 2953 1 4 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.642 0.554 19413 2954 1 4 . 1 1 79 79 ILE H H 79 8.122 8.122 8.286 -0.164 19413 2955 1 4 . 1 1 80 80 ALA N N 80 124.708 124.708 122.062 2.646 19413 2956 1 4 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.077 -0.099 19413 2957 1 4 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.717 0.198 19413 2958 1 4 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.801 -0.696 19413 2959 1 4 . 1 1 80 80 ALA H H 80 8.694 8.694 7.820 0.874 19413 2960 1 4 . 1 1 81 81 LEU N N 81 114.303 114.303 118.010 -3.707 19413 2961 1 4 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.251 0.129 19413 2962 1 4 . 1 1 81 81 LEU CA C 81 54.582 54.582 55.438 -0.855 19413 2963 1 4 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.711 0.501 19413 2964 1 4 . 1 1 81 81 LEU H H 81 8.469 8.469 7.618 0.851 19413 2965 1 4 . 1 1 82 82 GLY N N 82 112.196 112.196 107.741 4.455 19413 2966 1 4 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.521 1.437 19413 2967 1 4 . 1 1 82 82 GLY H H 82 7.955 7.955 7.860 0.095 19413 2968 1 4 . 1 1 83 83 VAL N N 83 109.426 109.426 112.159 -2.733 19413 2969 1 4 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.497 0.424 19413 2970 1 4 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.662 -1.480 19413 2971 1 4 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.716 -1.275 19413 2972 1 4 . 1 1 83 83 VAL H H 83 8.267 8.267 7.910 0.357 19413 2973 1 4 . 1 1 84 84 GLU N N 84 127.081 127.081 122.964 4.117 19413 2974 1 4 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.746 -0.162 19413 2975 1 4 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.576 0.780 19413 2976 1 4 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.106 0.864 19413 2977 1 4 . 1 1 84 84 GLU H H 84 10.566 10.566 8.560 2.006 19413 2978 1 4 . 1 1 85 85 ASP N N 85 117.467 117.467 118.503 -1.036 19413 2979 1 4 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.447 0.140 19413 2980 1 4 . 1 1 85 85 ASP CA C 85 56.279 56.279 57.243 -0.965 19413 2981 1 4 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.047 -0.315 19413 2982 1 4 . 1 1 85 85 ASP H H 85 8.946 8.946 8.800 0.146 19413 2983 1 4 . 1 1 86 86 LYS N N 86 119.121 119.121 117.058 2.063 19413 2984 1 4 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.056 0.363 19413 2985 1 4 . 1 1 86 86 LYS CA C 86 57.179 57.179 58.408 -1.229 19413 2986 1 4 . 1 1 86 86 LYS CB C 86 33.426 33.426 32.794 0.632 19413 2987 1 4 . 1 1 86 86 LYS H H 86 7.745 7.745 7.759 -0.014 19413 2988 1 4 . 1 1 87 87 ILE N N 87 108.193 108.193 110.602 -2.409 19413 2989 1 4 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.476 -0.238 19413 2990 1 4 . 1 1 87 87 ILE CA C 87 59.320 59.320 59.771 -0.451 19413 2991 1 4 . 1 1 87 87 ILE CB C 87 40.000 40.000 37.341 2.659 19413 2992 1 4 . 1 1 87 87 ILE H H 87 7.343 7.343 7.384 -0.041 19413 2993 1 4 . 1 1 88 88 THR N N 88 119.455 119.455 117.862 1.593 19413 2994 1 4 . 1 1 88 88 THR HA H 88 4.053 4.053 4.498 -0.445 19413 2995 1 4 . 1 1 88 88 THR CA C 88 69.780 69.780 65.446 4.334 19413 2996 1 4 . 1 1 88 88 THR CB C 88 68.491 68.491 70.083 -1.592 19413 2997 1 4 . 1 1 88 88 THR H H 88 7.746 7.746 7.806 -0.060 19413 2998 1 4 . 1 1 89 89 ALA N N 89 123.122 123.122 124.237 -1.115 19413 2999 1 4 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.673 -0.073 19413 3000 1 4 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.699 0.592 19413 3001 1 4 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.412 -1.215 19413 3002 1 4 . 1 1 89 89 ALA H H 89 9.125 9.125 7.861 1.264 19413 3003 1 4 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.349 0.067 19413 3004 1 4 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.393 -0.172 19413 3005 1 4 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.529 -0.118 19413 3006 1 4 . 1 1 91 91 MET N N 91 119.468 119.468 118.913 0.555 19413 3007 1 4 . 1 1 91 91 MET HA H 91 4.370 4.370 4.328 0.042 19413 3008 1 4 . 1 1 91 91 MET CA C 91 56.901 56.901 58.598 -1.697 19413 3009 1 4 . 1 1 91 91 MET CB C 91 30.059 30.059 32.517 -2.458 19413 3010 1 4 . 1 1 91 91 MET H H 91 8.176 8.176 7.533 0.643 19413 3011 1 4 . 1 1 92 92 PHE N N 92 120.720 120.720 118.222 2.498 19413 3012 1 4 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.320 0.198 19413 3013 1 4 . 1 1 92 92 PHE CA C 92 63.883 63.883 59.985 3.898 19413 3014 1 4 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.407 0.917 19413 3015 1 4 . 1 1 92 92 PHE H H 92 8.650 8.650 9.036 -0.386 19413 3016 1 4 . 1 1 93 93 GLU N N 93 117.705 117.705 118.868 -1.163 19413 3017 1 4 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.203 -0.137 19413 3018 1 4 . 1 1 93 93 GLU CA C 93 59.403 59.403 58.778 0.625 19413 3019 1 4 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.613 0.029 19413 3020 1 4 . 1 1 93 93 GLU H H 93 8.240 8.240 8.288 -0.048 19413 3021 1 4 . 1 1 94 94 ALA N N 94 123.067 123.067 119.042 4.025 19413 3022 1 4 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.804 -0.353 19413 3023 1 4 . 1 1 94 94 ALA CA C 94 53.995 53.995 52.419 1.576 19413 3024 1 4 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.857 -0.854 19413 3025 1 4 . 1 1 94 94 ALA H H 94 8.431 8.431 7.815 0.616 19413 3026 1 4 . 1 1 95 95 VAL N N 95 115.582 115.582 117.817 -2.235 19413 3027 1 4 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.842 -0.120 19413 3028 1 4 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.689 1.115 19413 3029 1 4 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.495 -0.756 19413 3030 1 4 . 1 1 95 95 VAL H H 95 8.467 8.467 7.526 0.941 19413 3031 1 4 . 1 1 96 96 GLN N N 96 113.295 113.295 118.414 -5.119 19413 3032 1 4 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.252 0.299 19413 3033 1 4 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.329 0.897 19413 3034 1 4 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.800 0.879 19413 3035 1 4 . 1 1 96 96 GLN H H 96 8.184 8.184 8.425 -0.241 19413 3036 1 4 . 1 1 97 97 LYS N N 97 118.621 118.621 120.164 -1.543 19413 3037 1 4 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.099 0.588 19413 3038 1 4 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.785 -1.626 19413 3039 1 4 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.757 -0.215 19413 3040 1 4 . 1 1 97 97 LYS H H 97 8.231 8.231 7.845 0.386 19413 3041 1 4 . 1 1 98 98 THR N N 98 110.486 110.486 109.295 1.191 19413 3042 1 4 . 1 1 98 98 THR HA H 98 4.285 4.285 4.224 0.061 19413 3043 1 4 . 1 1 98 98 THR CA C 98 62.420 62.420 62.506 -0.086 19413 3044 1 4 . 1 1 98 98 THR CB C 98 68.343 68.343 69.998 -1.655 19413 3045 1 4 . 1 1 98 98 THR H H 98 8.612 8.612 7.641 0.971 19413 3046 1 4 . 1 1 99 99 GLN N N 99 115.751 115.751 117.344 -1.593 19413 3047 1 4 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.052 0.133 19413 3048 1 4 . 1 1 99 99 GLN CA C 99 56.986 56.986 56.878 0.108 19413 3049 1 4 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.657 -1.034 19413 3050 1 4 . 1 1 99 99 GLN H H 99 6.979 6.979 8.276 -1.297 19413 3051 1 4 . 1 1 100 100 THR N N 100 108.660 108.660 114.493 -5.833 19413 3052 1 4 . 1 1 100 100 THR HA H 100 4.350 4.350 4.136 0.214 19413 3053 1 4 . 1 1 100 100 THR CA C 100 61.035 61.035 64.180 -3.145 19413 3054 1 4 . 1 1 100 100 THR CB C 100 68.306 68.306 69.469 -1.163 19413 3055 1 4 . 1 1 100 100 THR H H 100 8.362 8.362 7.880 0.482 19413 3056 1 4 . 1 1 101 101 VAL N N 101 121.417 121.417 122.136 -0.719 19413 3057 1 4 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.795 0.398 19413 3058 1 4 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.480 -2.513 19413 3059 1 4 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.470 -0.121 19413 3060 1 4 . 1 1 101 101 VAL H H 101 7.376 7.376 7.964 -0.588 19413 3061 1 4 . 1 1 102 102 GLN N N 102 127.472 127.472 125.862 1.610 19413 3062 1 4 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.601 -0.037 19413 3063 1 4 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.839 -0.723 19413 3064 1 4 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.129 -1.361 19413 3065 1 4 . 1 1 102 102 GLN H H 102 9.583 9.583 8.549 1.034 19413 3066 1 4 . 1 1 103 103 SER N N 103 116.698 116.698 114.311 2.387 19413 3067 1 4 . 1 1 103 103 SER HA H 103 4.883 4.883 4.759 0.124 19413 3068 1 4 . 1 1 103 103 SER CA C 103 56.423 56.423 56.180 0.243 19413 3069 1 4 . 1 1 103 103 SER CB C 103 66.834 66.834 65.997 0.837 19413 3070 1 4 . 1 1 103 103 SER H H 103 8.539 8.539 8.561 -0.022 19413 3071 1 4 . 1 1 104 104 VAL N N 104 120.375 120.375 122.098 -1.723 19413 3072 1 4 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.679 0.061 19413 3073 1 4 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.351 -0.595 19413 3074 1 4 . 1 1 104 104 VAL CB C 104 30.929 30.929 30.849 0.080 19413 3075 1 4 . 1 1 104 104 VAL H H 104 8.929 8.929 8.980 -0.051 19413 3076 1 4 . 1 1 105 105 ALA N N 105 125.255 125.255 120.721 4.534 19413 3077 1 4 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.952 0.048 19413 3078 1 4 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.890 0.016 19413 3079 1 4 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.837 0.216 19413 3080 1 4 . 1 1 105 105 ALA H H 105 8.099 8.099 8.486 -0.387 19413 3081 1 4 . 1 1 106 106 ASP N N 106 118.317 118.317 118.262 0.055 19413 3082 1 4 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.514 -0.139 19413 3083 1 4 . 1 1 106 106 ASP CA C 106 56.664 56.664 57.022 -0.358 19413 3084 1 4 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.135 1.632 19413 3085 1 4 . 1 1 106 106 ASP H H 106 7.603 7.603 8.072 -0.469 19413 3086 1 4 . 1 1 107 107 ILE N N 107 120.210 120.210 119.451 0.759 19413 3087 1 4 . 1 1 107 107 ILE HA H 107 3.331 3.331 4.137 -0.806 19413 3088 1 4 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.352 1.257 19413 3089 1 4 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.279 -0.389 19413 3090 1 4 . 1 1 107 107 ILE H H 107 7.342 7.342 7.561 -0.219 19413 3091 1 4 . 1 1 108 108 ARG N N 108 119.234 119.234 119.283 -0.049 19413 3092 1 4 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.546 -0.749 19413 3093 1 4 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.217 0.439 19413 3094 1 4 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.181 1.661 19413 3095 1 4 . 1 1 108 108 ARG H H 108 6.677 6.677 8.212 -1.535 19413 3096 1 4 . 1 1 109 109 LYS N N 109 117.662 117.662 120.217 -2.555 19413 3097 1 4 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.014 -0.168 19413 3098 1 4 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.659 -0.440 19413 3099 1 4 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.136 -0.163 19413 3100 1 4 . 1 1 109 109 LYS H H 109 7.164 7.164 7.502 -0.338 19413 3101 1 4 . 1 1 110 110 VAL N N 110 118.257 118.257 119.425 -1.168 19413 3102 1 4 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.743 -0.102 19413 3103 1 4 . 1 1 110 110 VAL CA C 110 66.062 66.062 65.718 0.344 19413 3104 1 4 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.401 -0.177 19413 3105 1 4 . 1 1 110 110 VAL H H 110 7.269 7.269 7.645 -0.376 19413 3106 1 4 . 1 1 111 111 PHE N N 111 118.699 118.699 119.525 -0.826 19413 3107 1 4 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.098 -0.188 19413 3108 1 4 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.613 -1.133 19413 3109 1 4 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.333 0.090 19413 3110 1 4 . 1 1 111 111 PHE H H 111 7.411 7.411 7.892 -0.481 19413 3111 1 4 . 1 1 112 112 VAL N N 112 121.527 121.527 119.468 2.059 19413 3112 1 4 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.944 0.667 19413 3113 1 4 . 1 1 112 112 VAL CA C 112 64.719 64.719 66.076 -1.357 19413 3114 1 4 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.626 -0.255 19413 3115 1 4 . 1 1 112 112 VAL H H 112 8.424 8.424 7.492 0.932 19413 3116 1 4 . 1 1 113 113 ASP N N 113 124.032 124.032 121.109 2.923 19413 3117 1 4 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.428 0.019 19413 3118 1 4 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.938 -0.260 19413 3119 1 4 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.576 -1.296 19413 3120 1 4 . 1 1 113 113 ASP H H 113 9.048 9.048 8.535 0.513 19413 3121 1 4 . 1 1 114 114 ALA N N 114 121.399 121.399 119.381 2.018 19413 3122 1 4 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.212 0.255 19413 3123 1 4 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.370 -0.492 19413 3124 1 4 . 1 1 114 114 ALA CB C 114 18.613 18.613 18.994 -0.380 19413 3125 1 4 . 1 1 114 114 ALA H H 114 7.505 7.505 7.855 -0.350 19413 3126 1 4 . 1 1 115 115 GLY N N 115 105.755 105.755 105.828 -0.073 19413 3127 1 4 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.527 0.576 19413 3128 1 4 . 1 1 115 115 GLY H H 115 7.895 7.895 7.839 0.056 19413 3129 1 4 . 1 1 116 116 VAL N N 116 124.542 124.542 119.740 4.802 19413 3130 1 4 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.245 -0.225 19413 3131 1 4 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.946 0.655 19413 3132 1 4 . 1 1 116 116 VAL CB C 116 31.739 31.739 34.224 -2.485 19413 3133 1 4 . 1 1 116 116 VAL H H 116 8.095 8.095 7.430 0.665 19413 3134 1 4 . 1 1 117 117 LYS N N 117 128.363 128.363 127.752 0.611 19413 3135 1 4 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.264 -0.081 19413 3136 1 4 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.051 0.034 19413 3137 1 4 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.306 -0.494 19413 3138 1 4 . 1 1 117 117 LYS H H 117 9.102 9.102 9.009 0.093 19413 3139 1 4 . 1 1 118 118 GLY N N 118 116.049 116.049 114.477 1.572 19413 3140 1 4 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.177 0.491 19413 3141 1 4 . 1 1 118 118 GLY H H 118 9.300 9.300 9.064 0.236 19413 3142 1 4 . 1 1 119 119 GLU N N 119 118.512 118.512 118.651 -0.139 19413 3143 1 4 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.259 -0.033 19413 3144 1 4 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.761 0.762 19413 3145 1 4 . 1 1 119 119 GLU CB C 119 28.813 28.813 28.876 -0.063 19413 3146 1 4 . 1 1 119 119 GLU H H 119 9.501 9.501 8.633 0.868 19413 3147 1 4 . 1 1 120 120 ASP N N 120 121.262 121.262 119.563 1.699 19413 3148 1 4 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.649 -0.070 19413 3149 1 4 . 1 1 120 120 ASP CA C 120 56.559 56.559 55.653 0.906 19413 3150 1 4 . 1 1 120 120 ASP CB C 120 39.632 39.632 42.202 -2.570 19413 3151 1 4 . 1 1 120 120 ASP H H 120 7.088 7.088 7.650 -0.562 19413 3152 1 4 . 1 1 121 121 TYR N N 121 123.619 123.619 121.790 1.829 19413 3153 1 4 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.069 -0.347 19413 3154 1 4 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.102 0.049 19413 3155 1 4 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.536 -0.534 19413 3156 1 4 . 1 1 121 121 TYR H H 121 7.986 7.986 8.391 -0.405 19413 3157 1 4 . 1 1 122 122 ASP N N 122 119.702 119.702 118.214 1.488 19413 3158 1 4 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.632 -0.378 19413 3159 1 4 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.882 1.240 19413 3160 1 4 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.725 -1.114 19413 3161 1 4 . 1 1 122 122 ASP H H 122 8.812 8.812 8.390 0.422 19413 3162 1 4 . 1 1 123 123 ALA N N 123 121.138 121.138 122.484 -1.346 19413 3163 1 4 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.207 0.019 19413 3164 1 4 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.087 0.143 19413 3165 1 4 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.207 -1.081 19413 3166 1 4 . 1 1 123 123 ALA H H 123 7.696 7.696 7.372 0.324 19413 3167 1 4 . 1 1 124 124 ALA N N 124 120.299 120.299 122.859 -2.560 19413 3168 1 4 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.034 0.072 19413 3169 1 4 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.940 -0.614 19413 3170 1 4 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.119 0.446 19413 3171 1 4 . 1 1 124 124 ALA H H 124 7.935 7.935 8.516 -0.581 19413 3172 1 4 . 1 1 125 125 TRP N N 125 121.357 121.357 119.363 1.994 19413 3173 1 4 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.196 -0.720 19413 3174 1 4 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.429 1.034 19413 3175 1 4 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.336 -0.959 19413 3176 1 4 . 1 1 125 125 TRP H H 125 8.948 8.948 8.456 0.492 19413 3177 1 4 . 1 1 126 126 ASN N N 126 110.817 110.817 113.321 -2.504 19413 3178 1 4 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.787 0.056 19413 3179 1 4 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.742 -0.220 19413 3180 1 4 . 1 1 126 126 ASN CB C 126 40.070 40.070 40.012 0.058 19413 3181 1 4 . 1 1 126 126 ASN H H 126 7.024 7.024 7.830 -0.806 19413 3182 1 4 . 1 1 127 127 SER N N 127 116.650 116.650 115.756 0.894 19413 3183 1 4 . 1 1 127 127 SER HA H 127 4.472 4.472 4.723 -0.251 19413 3184 1 4 . 1 1 127 127 SER CA C 127 58.535 58.535 56.353 2.182 19413 3185 1 4 . 1 1 127 127 SER CB C 127 65.513 65.513 64.456 1.057 19413 3186 1 4 . 1 1 127 127 SER H H 127 7.831 7.831 7.873 -0.042 19413 3187 1 4 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.252 0.026 19413 3188 1 4 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.876 0.179 19413 3189 1 4 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.160 -0.792 19413 3190 1 4 . 1 1 129 129 VAL N N 129 120.058 120.058 118.712 1.346 19413 3191 1 4 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.613 0.101 19413 3192 1 4 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.468 -0.796 19413 3193 1 4 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.476 0.302 19413 3194 1 4 . 1 1 129 129 VAL H H 129 8.340 8.340 7.632 0.708 19413 3195 1 4 . 1 1 130 130 VAL N N 130 122.552 122.552 119.043 3.509 19413 3196 1 4 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.526 -0.015 19413 3197 1 4 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.040 0.794 19413 3198 1 4 . 1 1 130 130 VAL CB C 130 31.224 31.224 30.770 0.455 19413 3199 1 4 . 1 1 130 130 VAL H H 130 7.163 7.163 7.469 -0.306 19413 3200 1 4 . 1 1 131 131 LYS N N 131 122.079 122.079 119.616 2.463 19413 3201 1 4 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.664 0.092 19413 3202 1 4 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.763 -0.029 19413 3203 1 4 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.395 0.123 19413 3204 1 4 . 1 1 131 131 LYS H H 131 7.852 7.852 7.503 0.349 19413 3205 1 4 . 1 1 132 132 SER N N 132 115.836 115.836 114.902 0.934 19413 3206 1 4 . 1 1 132 132 SER HA H 132 4.155 4.155 4.078 0.077 19413 3207 1 4 . 1 1 132 132 SER CA C 132 61.022 61.022 61.201 -0.179 19413 3208 1 4 . 1 1 132 132 SER CB C 132 62.309 62.309 63.096 -0.787 19413 3209 1 4 . 1 1 132 132 SER H H 132 8.258 8.258 7.946 0.312 19413 3210 1 4 . 1 1 133 133 LEU N N 133 124.754 124.754 122.707 2.047 19413 3211 1 4 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.954 0.243 19413 3212 1 4 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.866 -0.302 19413 3213 1 4 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.041 2.120 19413 3214 1 4 . 1 1 133 133 LEU H H 133 8.140 8.140 7.883 0.257 19413 3215 1 4 . 1 1 134 134 VAL N N 134 123.461 123.461 119.428 4.033 19413 3216 1 4 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.933 -0.652 19413 3217 1 4 . 1 1 134 134 VAL CA C 134 68.857 68.857 65.723 3.134 19413 3218 1 4 . 1 1 134 134 VAL CB C 134 30.856 30.856 30.647 0.209 19413 3219 1 4 . 1 1 134 134 VAL H H 134 8.718 8.718 8.656 0.062 19413 3220 1 4 . 1 1 135 135 ALA N N 135 121.739 121.739 120.990 0.749 19413 3221 1 4 . 1 1 135 135 ALA HA H 135 4.164 4.164 4.004 0.160 19413 3222 1 4 . 1 1 135 135 ALA CA C 135 54.929 54.929 54.792 0.137 19413 3223 1 4 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.201 -0.775 19413 3224 1 4 . 1 1 135 135 ALA H H 135 7.513 7.513 7.632 -0.119 19413 3225 1 4 . 1 1 136 136 GLN N N 136 119.033 119.033 116.976 2.057 19413 3226 1 4 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.979 0.097 19413 3227 1 4 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.841 0.268 19413 3228 1 4 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.687 0.398 19413 3229 1 4 . 1 1 136 136 GLN H H 136 8.473 8.473 7.736 0.737 19413 3230 1 4 . 1 1 137 137 GLN N N 137 119.734 119.734 115.130 4.604 19413 3231 1 4 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.342 -0.830 19413 3232 1 4 . 1 1 137 137 GLN CA C 137 59.882 59.882 57.305 2.577 19413 3233 1 4 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.205 2.638 19413 3234 1 4 . 1 1 137 137 GLN H H 137 7.995 7.995 7.530 0.465 19413 3235 1 4 . 1 1 138 138 GLU N N 138 121.309 121.309 122.868 -1.559 19413 3236 1 4 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.016 -0.081 19413 3237 1 4 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.744 -0.767 19413 3238 1 4 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.414 -0.449 19413 3239 1 4 . 1 1 138 138 GLU H H 138 8.291 8.291 8.644 -0.353 19413 3240 1 4 . 1 1 139 139 LYS N N 139 122.121 122.121 118.785 3.336 19413 3241 1 4 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.100 0.017 19413 3242 1 4 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.663 0.261 19413 3243 1 4 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.594 -0.002 19413 3244 1 4 . 1 1 139 139 LYS H H 139 8.603 8.603 8.132 0.471 19413 3245 1 4 . 1 1 140 140 ALA N N 140 120.286 120.286 116.792 3.494 19413 3246 1 4 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.793 -0.383 19413 3247 1 4 . 1 1 140 140 ALA CA C 140 55.063 55.063 52.553 2.510 19413 3248 1 4 . 1 1 140 140 ALA CB C 140 18.446 18.446 19.810 -1.364 19413 3249 1 4 . 1 1 140 140 ALA H H 140 8.140 8.140 7.454 0.686 19413 3250 1 4 . 1 1 141 141 ALA N N 141 116.994 116.994 119.480 -2.486 19413 3251 1 4 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.375 -0.727 19413 3252 1 4 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.802 1.713 19413 3253 1 4 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.302 -2.301 19413 3254 1 4 . 1 1 141 141 ALA H H 141 7.251 7.251 8.200 -0.949 19413 3255 1 4 . 1 1 142 142 ALA N N 142 121.272 121.272 120.266 1.006 19413 3256 1 4 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.419 -0.235 19413 3257 1 4 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.422 2.235 19413 3258 1 4 . 1 1 142 142 ALA CB C 142 18.217 18.217 19.078 -0.861 19413 3259 1 4 . 1 1 142 142 ALA H H 142 7.940 7.940 8.032 -0.092 19413 3260 1 4 . 1 1 143 143 ASP N N 143 121.599 121.599 119.636 1.963 19413 3261 1 4 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.407 -0.071 19413 3262 1 4 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.944 0.031 19413 3263 1 4 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.419 -1.384 19413 3264 1 4 . 1 1 143 143 ASP H H 143 9.272 9.272 8.098 1.174 19413 3265 1 4 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.500 -0.389 19413 3266 1 4 . 1 1 144 144 LEU CA C 144 54.547 54.547 56.075 -1.528 19413 3267 1 4 . 1 1 144 144 LEU CB C 144 41.055 41.055 41.639 -0.584 19413 3268 1 4 . 1 1 145 145 GLN N N 145 116.940 116.940 119.915 -2.975 19413 3269 1 4 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.022 -0.270 19413 3270 1 4 . 1 1 145 145 GLN CA C 145 55.823 55.823 58.340 -2.517 19413 3271 1 4 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.389 -2.257 19413 3272 1 4 . 1 1 145 145 GLN H H 145 7.750 7.750 8.458 -0.708 19413 3273 1 4 . 1 1 146 146 LEU N N 146 119.399 119.399 117.317 2.082 19413 3274 1 4 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.392 -0.506 19413 3275 1 4 . 1 1 146 146 LEU CA C 146 56.313 56.313 54.678 1.635 19413 3276 1 4 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.354 -0.212 19413 3277 1 4 . 1 1 146 146 LEU H H 146 7.516 7.516 7.532 -0.016 19413 3278 1 4 . 1 1 147 147 GLN N N 147 123.118 123.118 115.650 7.468 19413 3279 1 4 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.563 0.584 19413 3280 1 4 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.467 -1.599 19413 3281 1 4 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.302 3.223 19413 3282 1 4 . 1 1 147 147 GLN H H 147 8.895 8.895 8.288 0.607 19413 3283 1 4 . 1 1 148 148 GLY N N 148 106.555 106.555 104.634 1.921 19413 3284 1 4 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.558 0.546 19413 3285 1 4 . 1 1 148 148 GLY H H 148 7.275 7.275 7.466 -0.191 19413 3286 1 4 . 1 1 149 149 VAL N N 149 110.030 110.030 115.956 -5.926 19413 3287 1 4 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.544 -0.073 19413 3288 1 4 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.618 -0.981 19413 3289 1 4 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.835 1.847 19413 3290 1 4 . 1 1 149 149 VAL H H 149 8.267 8.267 8.127 0.140 19413 3291 1 4 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.934 -0.124 19413 3292 1 4 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.819 -0.675 19413 3293 1 4 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.573 2.353 19413 3294 1 4 . 1 1 151 151 ALA N N 151 123.567 123.567 120.969 2.598 19413 3295 1 4 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.701 0.184 19413 3296 1 4 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.649 -0.024 19413 3297 1 4 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.649 2.198 19413 3298 1 4 . 1 1 151 151 ALA H H 151 8.249 8.249 8.464 -0.215 19413 3299 1 4 . 1 1 152 152 MET N N 152 121.866 121.866 120.958 0.908 19413 3300 1 4 . 1 1 152 152 MET HA H 152 5.724 5.724 5.080 0.644 19413 3301 1 4 . 1 1 152 152 MET CA C 152 55.487 55.487 55.814 -0.327 19413 3302 1 4 . 1 1 152 152 MET CB C 152 36.830 36.830 36.459 0.371 19413 3303 1 4 . 1 1 152 152 MET H H 152 8.610 8.610 8.386 0.224 19413 3304 1 4 . 1 1 153 153 TYR N N 153 124.782 124.782 124.733 0.049 19413 3305 1 4 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.230 0.524 19413 3306 1 4 . 1 1 153 153 TYR CA C 153 56.208 56.208 57.190 -0.982 19413 3307 1 4 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.405 3.585 19413 3308 1 4 . 1 1 153 153 TYR H H 153 9.685 9.685 9.376 0.309 19413 3309 1 4 . 1 1 154 154 VAL N N 154 121.914 121.914 126.037 -4.123 19413 3310 1 4 . 1 1 154 154 VAL CB C 154 34.660 34.660 32.272 2.388 19413 3311 1 4 . 1 1 154 154 VAL H H 154 9.441 9.441 8.039 1.402 19413 3312 1 4 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.770 -0.031 19413 3313 1 4 . 1 1 155 155 ASN CA C 155 54.473 54.473 52.529 1.944 19413 3314 1 4 . 1 1 155 155 ASN CB C 155 37.154 37.154 39.416 -2.262 19413 3315 1 4 . 1 1 156 156 GLY N N 156 106.059 106.059 107.364 -1.305 19413 3316 1 4 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.243 -0.057 19413 3317 1 4 . 1 1 156 156 GLY H H 156 9.354 9.354 8.637 0.717 19413 3318 1 4 . 1 1 157 157 LYS N N 157 114.357 114.357 114.076 0.281 19413 3319 1 4 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.439 0.113 19413 3320 1 4 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.968 0.787 19413 3321 1 4 . 1 1 157 157 LYS CB C 157 36.788 36.788 33.895 2.893 19413 3322 1 4 . 1 1 157 157 LYS H H 157 7.877 7.877 7.876 0.001 19413 3323 1 4 . 1 1 158 158 TYR N N 158 117.900 117.900 118.729 -0.829 19413 3324 1 4 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.594 0.270 19413 3325 1 4 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.280 -0.424 19413 3326 1 4 . 1 1 158 158 TYR CB C 158 42.879 42.879 39.671 3.208 19413 3327 1 4 . 1 1 158 158 TYR H H 158 7.876 7.876 7.671 0.205 19413 3328 1 4 . 1 1 159 159 GLN N N 159 125.094 125.094 122.532 2.562 19413 3329 1 4 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.095 -0.342 19413 3330 1 4 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.123 -0.717 19413 3331 1 4 . 1 1 159 159 GLN CB C 159 31.849 31.849 31.034 0.815 19413 3332 1 4 . 1 1 159 159 GLN H H 159 9.701 9.701 9.160 0.541 19413 3333 1 4 . 1 1 160 160 LEU N N 160 131.941 131.941 124.950 6.991 19413 3334 1 4 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.333 -0.322 19413 3335 1 4 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.180 -1.185 19413 3336 1 4 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.383 -1.308 19413 3337 1 4 . 1 1 160 160 LEU H H 160 8.551 8.551 7.844 0.707 19413 3338 1 4 . 1 1 161 161 ASN N N 161 118.639 118.639 122.549 -3.910 19413 3339 1 4 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.114 0.382 19413 3340 1 4 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.255 -0.486 19413 3341 1 4 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.213 -0.302 19413 3342 1 4 . 1 1 161 161 ASN H H 161 8.285 8.285 8.520 -0.235 19413 3343 1 4 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.746 0.043 19413 3344 1 4 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.872 -0.098 19413 3345 1 4 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.644 -0.466 19413 3346 1 4 . 1 1 163 163 GLN N N 163 116.006 116.006 118.160 -2.154 19413 3347 1 4 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.207 0.019 19413 3348 1 4 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.886 0.080 19413 3349 1 4 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.255 -0.279 19413 3350 1 4 . 1 1 163 163 GLN H H 163 8.086 8.086 8.280 -0.194 19413 3351 1 4 . 1 1 164 164 GLY N N 164 107.393 107.393 105.368 2.025 19413 3352 1 4 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.526 0.077 19413 3353 1 4 . 1 1 164 164 GLY H H 164 8.030 8.030 7.848 0.182 19413 3354 1 4 . 1 1 165 165 MET N N 165 119.802 119.802 118.822 0.980 19413 3355 1 4 . 1 1 165 165 MET HA H 165 4.636 4.636 4.616 0.020 19413 3356 1 4 . 1 1 165 165 MET CA C 165 54.567 54.567 55.405 -0.838 19413 3357 1 4 . 1 1 165 165 MET CB C 165 34.464 34.464 34.547 -0.083 19413 3358 1 4 . 1 1 165 165 MET H H 165 7.451 7.451 7.785 -0.334 19413 3359 1 4 . 1 1 166 166 ASP N N 166 121.681 121.681 121.067 0.614 19413 3360 1 4 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.766 -0.133 19413 3361 1 4 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.558 -0.377 19413 3362 1 4 . 1 1 166 166 ASP CB C 166 40.653 40.653 39.658 0.994 19413 3363 1 4 . 1 1 166 166 ASP H H 166 8.694 8.694 9.007 -0.313 19413 3364 1 4 . 1 1 167 167 THR N N 167 112.609 112.609 111.975 0.634 19413 3365 1 4 . 1 1 167 167 THR HA H 167 4.224 4.224 4.248 -0.024 19413 3366 1 4 . 1 1 167 167 THR CA C 167 60.340 60.340 63.515 -3.175 19413 3367 1 4 . 1 1 167 167 THR CB C 167 68.416 68.416 68.647 -0.231 19413 3368 1 4 . 1 1 167 167 THR H H 167 7.860 7.860 8.134 -0.274 19413 3369 1 4 . 1 1 168 168 SER N N 168 118.936 118.936 116.206 2.730 19413 3370 1 4 . 1 1 168 168 SER HA H 168 4.158 4.158 4.489 -0.331 19413 3371 1 4 . 1 1 168 168 SER CA C 168 60.874 60.874 59.481 1.393 19413 3372 1 4 . 1 1 168 168 SER CB C 168 63.123 63.123 63.383 -0.259 19413 3373 1 4 . 1 1 168 168 SER H H 168 8.739 8.739 8.157 0.582 19413 3374 1 4 . 1 1 169 169 ASN N N 169 117.875 117.875 117.990 -0.115 19413 3375 1 4 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.981 -0.208 19413 3376 1 4 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.218 -0.870 19413 3377 1 4 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.946 -0.253 19413 3378 1 4 . 1 1 169 169 ASN H H 169 7.341 7.341 7.768 -0.427 19413 3379 1 4 . 1 1 170 170 MET N N 170 123.431 123.431 116.543 6.888 19413 3380 1 4 . 1 1 170 170 MET HA H 170 4.600 4.600 3.972 0.628 19413 3381 1 4 . 1 1 170 170 MET CA C 170 57.233 57.233 58.566 -1.333 19413 3382 1 4 . 1 1 170 170 MET CB C 170 32.751 32.751 30.194 2.557 19413 3383 1 4 . 1 1 170 170 MET H H 170 9.186 9.186 8.298 0.888 19413 3384 1 4 . 1 1 171 171 ASP N N 171 120.825 120.825 120.480 0.345 19413 3385 1 4 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.439 0.054 19413 3386 1 4 . 1 1 171 171 ASP CA C 171 57.506 57.506 58.086 -0.580 19413 3387 1 4 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.976 -1.188 19413 3388 1 4 . 1 1 171 171 ASP H H 171 8.232 8.232 8.242 -0.010 19413 3389 1 4 . 1 1 172 172 VAL N N 172 122.666 122.666 119.247 3.419 19413 3390 1 4 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.742 0.036 19413 3391 1 4 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.901 -0.362 19413 3392 1 4 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.604 0.251 19413 3393 1 4 . 1 1 172 172 VAL H H 172 7.872 7.872 7.726 0.146 19413 3394 1 4 . 1 1 173 173 PHE N N 173 121.872 121.872 121.551 0.321 19413 3395 1 4 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.108 0.272 19413 3396 1 4 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.752 -0.288 19413 3397 1 4 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.782 0.492 19413 3398 1 4 . 1 1 173 173 PHE H H 173 8.250 8.250 7.949 0.301 19413 3399 1 4 . 1 1 174 174 VAL N N 174 117.535 117.535 119.294 -1.759 19413 3400 1 4 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.196 -0.153 19413 3401 1 4 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.429 0.474 19413 3402 1 4 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.997 0.374 19413 3403 1 4 . 1 1 174 174 VAL H H 174 8.138 8.138 7.813 0.325 19413 3404 1 4 . 1 1 175 175 ALA N N 175 121.129 121.129 121.615 -0.486 19413 3405 1 4 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.988 0.138 19413 3406 1 4 . 1 1 175 175 ALA CA C 175 54.768 54.768 54.916 -0.148 19413 3407 1 4 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.486 -0.471 19413 3408 1 4 . 1 1 175 175 ALA H H 175 7.396 7.396 8.289 -0.893 19413 3409 1 4 . 1 1 176 176 GLN N N 176 120.043 120.043 116.902 3.141 19413 3410 1 4 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.168 -0.089 19413 3411 1 4 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.817 1.145 19413 3412 1 4 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.203 -1.154 19413 3413 1 4 . 1 1 176 176 GLN H H 176 8.721 8.721 7.620 1.101 19413 3414 1 4 . 1 1 177 177 TYR N N 177 127.981 127.981 123.355 4.626 19413 3415 1 4 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.959 -0.368 19413 3416 1 4 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.453 0.109 19413 3417 1 4 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.023 -0.045 19413 3418 1 4 . 1 1 177 177 TYR H H 177 9.002 9.002 8.182 0.820 19413 3419 1 4 . 1 1 178 178 ALA N N 178 119.796 119.796 119.247 0.549 19413 3420 1 4 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.969 0.061 19413 3421 1 4 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.284 0.121 19413 3422 1 4 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.846 0.123 19413 3423 1 4 . 1 1 178 178 ALA H H 178 8.392 8.392 8.245 0.147 19413 3424 1 4 . 1 1 179 179 ASP N N 179 117.823 117.823 118.170 -0.347 19413 3425 1 4 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.273 0.146 19413 3426 1 4 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.693 -0.397 19413 3427 1 4 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.620 1.183 19413 3428 1 4 . 1 1 179 179 ASP H H 179 8.379 8.379 8.084 0.295 19413 3429 1 4 . 1 1 180 180 THR N N 180 117.846 117.846 114.939 2.907 19413 3430 1 4 . 1 1 180 180 THR HA H 180 4.179 4.179 3.959 0.220 19413 3431 1 4 . 1 1 180 180 THR CA C 180 67.378 67.378 65.764 1.614 19413 3432 1 4 . 1 1 180 180 THR CB C 180 67.733 67.733 68.658 -0.925 19413 3433 1 4 . 1 1 180 180 THR H H 180 8.255 8.255 7.690 0.565 19413 3434 1 4 . 1 1 181 181 VAL N N 181 120.101 120.101 121.179 -1.078 19413 3435 1 4 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.519 -0.338 19413 3436 1 4 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.610 1.170 19413 3437 1 4 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.409 -0.478 19413 3438 1 4 . 1 1 181 181 VAL H H 181 7.772 7.772 7.739 0.033 19413 3439 1 4 . 1 1 182 182 LYS N N 182 119.144 119.144 117.925 1.219 19413 3440 1 4 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.932 -0.302 19413 3441 1 4 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.095 1.266 19413 3442 1 4 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.831 0.449 19413 3443 1 4 . 1 1 182 182 LYS H H 182 7.758 7.758 7.941 -0.183 19413 3444 1 4 . 1 1 183 183 GLN N N 183 116.269 116.269 118.223 -1.954 19413 3445 1 4 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.073 -0.088 19413 3446 1 4 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.448 0.835 19413 3447 1 4 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.853 0.470 19413 3448 1 4 . 1 1 183 183 GLN H H 183 8.114 8.114 7.792 0.322 19413 3449 1 4 . 1 1 184 184 LEU N N 184 119.688 119.688 119.911 -0.223 19413 3450 1 4 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.861 -0.226 19413 3451 1 4 . 1 1 184 184 LEU CA C 184 57.041 57.041 57.247 -0.206 19413 3452 1 4 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.662 0.398 19413 3453 1 4 . 1 1 184 184 LEU H H 184 8.000 8.000 7.750 0.250 19413 3454 1 4 . 1 1 185 185 VAL N N 185 121.017 121.017 115.575 5.442 19413 3455 1 4 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.842 -0.330 19413 3456 1 4 . 1 1 185 185 VAL CA C 185 65.742 65.742 64.934 0.808 19413 3457 1 4 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.559 0.005 19413 3458 1 4 . 1 1 185 185 VAL H H 185 8.494 8.494 7.772 0.722 19413 3459 1 4 . 1 1 186 186 GLU N N 186 117.535 117.535 115.571 1.964 19413 3460 1 4 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.300 -0.180 19413 3461 1 4 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.825 0.334 19413 3462 1 4 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.984 -0.195 19413 3463 1 4 . 1 1 186 186 GLU H H 186 7.541 7.541 7.521 0.020 19413 3464 1 4 . 1 1 187 187 LYS N N 187 121.929 121.929 121.167 0.762 19413 3465 1 4 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.332 -0.206 19413 3466 1 4 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.335 2.413 19413 3467 1 4 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.348 1.370 19413 3468 1 4 . 1 1 187 187 LYS H H 187 7.358 7.358 7.285 0.073 19413 3469 1 5 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.526 0.245 19413 3470 1 5 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.206 0.082 19413 3471 1 5 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.827 0.094 19413 3472 1 5 . 1 1 1 1 ALA N N 1 125.275 125.275 120.019 5.256 19413 3473 1 5 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.924 0.395 19413 3474 1 5 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.500 -1.467 19413 3475 1 5 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.497 1.627 19413 3476 1 5 . 1 1 1 1 ALA H H 1 8.441 8.441 9.064 -0.623 19413 3477 1 5 . 1 1 2 2 GLN N N 2 121.120 121.120 117.353 3.767 19413 3478 1 5 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.545 -0.066 19413 3479 1 5 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.435 -0.022 19413 3480 1 5 . 1 1 2 2 GLN CB C 2 29.494 29.494 30.814 -1.320 19413 3481 1 5 . 1 1 2 2 GLN H H 2 8.334 8.334 7.936 0.398 19413 3482 1 5 . 1 1 3 3 ILE N N 3 120.380 120.380 120.027 0.353 19413 3483 1 5 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.918 -0.507 19413 3484 1 5 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.638 1.155 19413 3485 1 5 . 1 1 3 3 ILE CB C 3 39.691 39.691 41.379 -1.688 19413 3486 1 5 . 1 1 3 3 ILE H H 3 8.197 8.197 8.185 0.012 19413 3487 1 5 . 1 1 4 4 THR N N 4 120.223 120.223 116.630 3.593 19413 3488 1 5 . 1 1 4 4 THR HA H 4 4.566 4.566 4.501 0.065 19413 3489 1 5 . 1 1 4 4 THR CA C 4 61.500 61.500 60.752 0.748 19413 3490 1 5 . 1 1 4 4 THR CB C 4 71.727 71.727 71.253 0.474 19413 3491 1 5 . 1 1 4 4 THR H H 4 9.119 9.119 8.108 1.011 19413 3492 1 5 . 1 1 5 5 ASP N N 5 128.193 128.193 122.615 5.578 19413 3493 1 5 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.211 -0.065 19413 3494 1 5 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.930 0.419 19413 3495 1 5 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.518 0.483 19413 3496 1 5 . 1 1 5 5 ASP H H 5 8.510 8.510 8.378 0.132 19413 3497 1 5 . 1 1 6 6 GLY N N 6 117.400 117.400 113.283 4.117 19413 3498 1 5 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.982 -1.000 19413 3499 1 5 . 1 1 6 6 GLY H H 6 8.608 8.608 8.629 -0.021 19413 3500 1 5 . 1 1 7 7 LYS N N 7 122.122 122.122 120.404 1.718 19413 3501 1 5 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.393 0.209 19413 3502 1 5 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.177 -0.513 19413 3503 1 5 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.522 -1.758 19413 3504 1 5 . 1 1 7 7 LYS H H 7 8.131 8.131 7.375 0.756 19413 3505 1 5 . 1 1 8 8 GLN N N 8 115.920 115.920 115.676 0.244 19413 3506 1 5 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.677 -0.548 19413 3507 1 5 . 1 1 8 8 GLN CA C 8 59.067 59.067 56.953 2.114 19413 3508 1 5 . 1 1 8 8 GLN CB C 8 27.086 27.086 31.213 -4.128 19413 3509 1 5 . 1 1 8 8 GLN H H 8 8.548 8.548 7.810 0.738 19413 3510 1 5 . 1 1 9 9 TYR N N 9 112.118 112.118 113.754 -1.636 19413 3511 1 5 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.471 -0.353 19413 3512 1 5 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.640 -0.902 19413 3513 1 5 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.114 0.063 19413 3514 1 5 . 1 1 9 9 TYR H H 9 7.572 7.572 7.470 0.102 19413 3515 1 5 . 1 1 10 10 ILE N N 10 119.488 119.488 119.527 -0.039 19413 3516 1 5 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.545 0.036 19413 3517 1 5 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.317 0.681 19413 3518 1 5 . 1 1 10 10 ILE CB C 10 42.003 42.003 40.550 1.453 19413 3519 1 5 . 1 1 10 10 ILE H H 10 9.365 9.365 9.148 0.217 19413 3520 1 5 . 1 1 11 11 THR N N 11 126.054 126.054 117.854 8.200 19413 3521 1 5 . 1 1 11 11 THR HA H 11 4.837 4.837 5.456 -0.619 19413 3522 1 5 . 1 1 11 11 THR CA C 11 63.376 63.376 61.082 2.294 19413 3523 1 5 . 1 1 11 11 THR CB C 11 68.487 68.487 70.441 -1.954 19413 3524 1 5 . 1 1 11 11 THR H H 11 9.153 9.153 8.237 0.916 19413 3525 1 5 . 1 1 12 12 LEU N N 12 129.370 129.370 124.376 4.994 19413 3526 1 5 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.522 -0.273 19413 3527 1 5 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.898 0.388 19413 3528 1 5 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.861 -1.355 19413 3529 1 5 . 1 1 12 12 LEU H H 12 8.636 8.636 8.220 0.416 19413 3530 1 5 . 1 1 13 13 ASP N N 13 122.179 122.179 121.774 0.405 19413 3531 1 5 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.504 -0.066 19413 3532 1 5 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.811 -0.087 19413 3533 1 5 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.397 -0.512 19413 3534 1 5 . 1 1 13 13 ASP H H 13 8.494 8.494 8.385 0.109 19413 3535 1 5 . 1 1 14 14 LYS N N 14 119.361 119.361 120.200 -0.839 19413 3536 1 5 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.679 0.083 19413 3537 1 5 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.852 -1.365 19413 3538 1 5 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.681 -0.777 19413 3539 1 5 . 1 1 14 14 LYS H H 14 7.714 7.714 8.153 -0.439 19413 3540 1 5 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.498 0.105 19413 3541 1 5 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.773 -0.512 19413 3542 1 5 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.309 2.388 19413 3543 1 5 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.395 -0.033 19413 3544 1 5 . 1 1 16 16 ILE CA C 16 58.576 58.576 62.129 -3.553 19413 3545 1 5 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.539 -1.297 19413 3546 1 5 . 1 1 17 17 ALA N N 17 130.287 130.287 129.551 0.736 19413 3547 1 5 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.335 0.013 19413 3548 1 5 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.579 0.072 19413 3549 1 5 . 1 1 17 17 ALA CB C 17 19.344 19.344 19.677 -0.333 19413 3550 1 5 . 1 1 17 17 ALA H H 17 8.396 8.396 8.504 -0.108 19413 3551 1 5 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.418 -0.200 19413 3552 1 5 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.454 -0.053 19413 3553 1 5 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.659 0.733 19413 3554 1 5 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.353 -0.675 19413 3555 1 5 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.637 0.401 19413 3556 1 5 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.576 -1.610 19413 3557 1 5 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.520 -0.407 19413 3558 1 5 . 1 1 24 24 GLU N N 24 127.720 127.720 120.538 7.182 19413 3559 1 5 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.126 0.479 19413 3560 1 5 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.782 -1.344 19413 3561 1 5 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.956 0.748 19413 3562 1 5 . 1 1 24 24 GLU H H 24 8.973 8.973 8.171 0.802 19413 3563 1 5 . 1 1 25 25 PHE N N 25 121.108 121.108 118.644 2.464 19413 3564 1 5 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.910 0.156 19413 3565 1 5 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.849 -0.904 19413 3566 1 5 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.309 0.696 19413 3567 1 5 . 1 1 25 25 PHE H H 25 9.266 9.266 8.980 0.286 19413 3568 1 5 . 1 1 26 26 PHE N N 26 120.125 120.125 119.381 0.744 19413 3569 1 5 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.205 -0.424 19413 3570 1 5 . 1 1 26 26 PHE CA C 26 54.838 54.838 55.375 -0.537 19413 3571 1 5 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.770 1.834 19413 3572 1 5 . 1 1 26 26 PHE H H 26 8.957 8.957 8.581 0.376 19413 3573 1 5 . 1 1 27 27 SER N N 27 109.643 109.643 113.775 -4.132 19413 3574 1 5 . 1 1 27 27 SER HA H 27 3.584 3.584 4.042 -0.458 19413 3575 1 5 . 1 1 27 27 SER CA C 27 54.556 54.556 56.327 -1.771 19413 3576 1 5 . 1 1 27 27 SER CB C 27 64.711 64.711 65.891 -1.180 19413 3577 1 5 . 1 1 27 27 SER H H 27 6.543 6.543 7.818 -1.275 19413 3578 1 5 . 1 1 28 28 PHE N N 28 132.096 132.096 121.493 10.603 19413 3579 1 5 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.068 1.299 19413 3580 1 5 . 1 1 28 28 PHE CA C 28 62.530 62.530 60.116 2.414 19413 3581 1 5 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.774 -0.131 19413 3582 1 5 . 1 1 28 28 PHE H H 28 11.199 11.199 8.701 2.498 19413 3583 1 5 . 1 1 29 29 TYR N N 29 115.582 115.582 114.544 1.038 19413 3584 1 5 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.431 -0.062 19413 3585 1 5 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.236 1.609 19413 3586 1 5 . 1 1 29 29 TYR CB C 29 39.781 39.781 37.603 2.178 19413 3587 1 5 . 1 1 29 29 TYR H H 29 8.619 8.619 7.843 0.776 19413 3588 1 5 . 1 1 30 30 CYS N N 30 121.025 121.025 121.099 -0.074 19413 3589 1 5 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.776 0.230 19413 3590 1 5 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.993 -3.534 19413 3591 1 5 . 1 1 30 30 CYS CB C 30 46.378 46.378 28.301 18.077 19413 3592 1 5 . 1 1 30 30 CYS H H 30 7.284 7.284 7.411 -0.127 19413 3593 1 5 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.652 0.425 19413 3594 1 5 . 1 1 31 31 PRO CA C 31 65.973 65.973 65.441 0.532 19413 3595 1 5 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.633 -0.425 19413 3596 1 5 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.522 0.082 19413 3597 1 5 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.751 -1.304 19413 3598 1 5 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.923 1.131 19413 3599 1 5 . 1 1 33 33 CYS N N 33 117.365 117.365 118.196 -0.831 19413 3600 1 5 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.268 0.271 19413 3601 1 5 . 1 1 33 33 CYS CA C 33 63.192 63.192 63.145 0.047 19413 3602 1 5 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.699 8.144 19413 3603 1 5 . 1 1 33 33 CYS H H 33 8.921 8.921 8.099 0.822 19413 3604 1 5 . 1 1 34 34 TYR N N 34 123.491 123.491 120.897 2.594 19413 3605 1 5 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.429 -1.667 19413 3606 1 5 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.456 -2.023 19413 3607 1 5 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.438 -0.953 19413 3608 1 5 . 1 1 34 34 TYR H H 34 7.650 7.650 7.699 -0.049 19413 3609 1 5 . 1 1 35 35 GLN N N 35 118.639 118.639 117.004 1.635 19413 3610 1 5 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.920 -0.208 19413 3611 1 5 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.846 -0.436 19413 3612 1 5 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.172 -0.239 19413 3613 1 5 . 1 1 35 35 GLN H H 35 7.641 7.641 8.015 -0.374 19413 3614 1 5 . 1 1 36 36 PHE N N 36 121.254 121.254 116.917 4.337 19413 3615 1 5 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.218 -0.188 19413 3616 1 5 . 1 1 36 36 PHE CA C 36 60.801 60.801 61.302 -0.501 19413 3617 1 5 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.909 0.010 19413 3618 1 5 . 1 1 36 36 PHE H H 36 8.721 8.721 8.566 0.155 19413 3619 1 5 . 1 1 37 37 GLU N N 37 116.279 116.279 114.888 1.391 19413 3620 1 5 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.368 -0.041 19413 3621 1 5 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.831 1.953 19413 3622 1 5 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.588 0.268 19413 3623 1 5 . 1 1 37 37 GLU H H 37 7.705 7.705 7.605 0.100 19413 3624 1 5 . 1 1 38 38 GLU N N 38 112.285 112.285 116.044 -3.759 19413 3625 1 5 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.731 0.275 19413 3626 1 5 . 1 1 38 38 GLU CA C 38 55.578 55.578 57.084 -1.506 19413 3627 1 5 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.964 -2.181 19413 3628 1 5 . 1 1 38 38 GLU H H 38 7.870 7.870 7.722 0.148 19413 3629 1 5 . 1 1 39 39 VAL N N 39 117.365 117.365 120.024 -2.659 19413 3630 1 5 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.881 0.127 19413 3631 1 5 . 1 1 39 39 VAL CA C 39 63.965 63.965 64.066 -0.101 19413 3632 1 5 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.112 0.248 19413 3633 1 5 . 1 1 39 39 VAL H H 39 6.850 6.850 7.547 -0.697 19413 3634 1 5 . 1 1 40 40 LEU N N 40 116.098 116.098 118.069 -1.971 19413 3635 1 5 . 1 1 40 40 LEU HA H 40 4.093 4.093 3.976 0.117 19413 3636 1 5 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.923 -0.824 19413 3637 1 5 . 1 1 40 40 LEU CB C 40 43.113 43.113 41.836 1.277 19413 3638 1 5 . 1 1 40 40 LEU H H 40 8.171 8.171 7.918 0.253 19413 3639 1 5 . 1 1 41 41 HIS N N 41 111.930 111.930 115.058 -3.128 19413 3640 1 5 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.176 0.330 19413 3641 1 5 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.455 -0.988 19413 3642 1 5 . 1 1 41 41 HIS CB C 41 25.603 25.603 27.173 -1.570 19413 3643 1 5 . 1 1 41 41 HIS H H 41 6.459 6.459 7.350 -0.891 19413 3644 1 5 . 1 1 42 42 VAL N N 42 120.465 120.465 120.367 0.098 19413 3645 1 5 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.538 -0.510 19413 3646 1 5 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.439 1.533 19413 3647 1 5 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.870 0.016 19413 3648 1 5 . 1 1 42 42 VAL H H 42 8.621 8.621 8.449 0.172 19413 3649 1 5 . 1 1 43 43 SER N N 43 113.968 113.968 115.430 -1.462 19413 3650 1 5 . 1 1 43 43 SER HA H 43 4.002 4.002 4.021 -0.019 19413 3651 1 5 . 1 1 43 43 SER CA C 43 61.242 61.242 62.381 -1.139 19413 3652 1 5 . 1 1 43 43 SER CB C 43 62.565 62.565 62.789 -0.225 19413 3653 1 5 . 1 1 43 43 SER H H 43 8.040 8.040 7.987 0.054 19413 3654 1 5 . 1 1 44 44 ASP N N 44 121.731 121.731 119.944 1.787 19413 3655 1 5 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.457 -0.043 19413 3656 1 5 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.000 0.232 19413 3657 1 5 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.755 0.277 19413 3658 1 5 . 1 1 44 44 ASP H H 44 8.215 8.215 7.911 0.304 19413 3659 1 5 . 1 1 45 45 ASN N N 45 118.906 118.906 117.292 1.614 19413 3660 1 5 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.424 -0.152 19413 3661 1 5 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.349 0.973 19413 3662 1 5 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.648 0.979 19413 3663 1 5 . 1 1 45 45 ASN H H 45 7.860 7.860 7.412 0.448 19413 3664 1 5 . 1 1 46 46 VAL N N 46 119.934 119.934 118.860 1.074 19413 3665 1 5 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.613 -0.148 19413 3666 1 5 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.328 0.473 19413 3667 1 5 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.620 -0.271 19413 3668 1 5 . 1 1 46 46 VAL H H 46 8.583 8.583 8.389 0.194 19413 3669 1 5 . 1 1 47 47 ARG N N 47 119.655 119.655 120.169 -0.514 19413 3670 1 5 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.870 -0.049 19413 3671 1 5 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.532 0.270 19413 3672 1 5 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.901 0.437 19413 3673 1 5 . 1 1 47 47 ARG H H 47 8.522 8.522 7.883 0.639 19413 3674 1 5 . 1 1 48 48 GLN N N 48 115.072 115.072 116.863 -1.791 19413 3675 1 5 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.203 -0.085 19413 3676 1 5 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.961 -0.232 19413 3677 1 5 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.735 0.275 19413 3678 1 5 . 1 1 48 48 GLN H H 48 7.605 7.605 8.071 -0.466 19413 3679 1 5 . 1 1 49 49 LYS N N 49 116.858 116.858 116.715 0.143 19413 3680 1 5 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.477 -0.055 19413 3681 1 5 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.545 -0.740 19413 3682 1 5 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.426 -0.778 19413 3683 1 5 . 1 1 49 49 LYS H H 49 7.460 7.460 7.949 -0.489 19413 3684 1 5 . 1 1 50 50 LEU N N 50 119.786 119.786 123.430 -3.644 19413 3685 1 5 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.303 0.096 19413 3686 1 5 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.821 -0.893 19413 3687 1 5 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.825 -0.871 19413 3688 1 5 . 1 1 50 50 LEU H H 50 7.215 7.215 7.547 -0.332 19413 3689 1 5 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.598 -0.122 19413 3690 1 5 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.029 0.243 19413 3691 1 5 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.584 -1.130 19413 3692 1 5 . 1 1 52 52 GLU N N 52 126.400 126.400 117.237 9.163 19413 3693 1 5 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.256 -0.156 19413 3694 1 5 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.079 1.036 19413 3695 1 5 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.258 1.078 19413 3696 1 5 . 1 1 52 52 GLU H H 52 8.935 8.935 8.505 0.430 19413 3697 1 5 . 1 1 53 53 GLY N N 53 113.671 113.671 108.323 5.348 19413 3698 1 5 . 1 1 53 53 GLY CA C 53 44.846 44.846 44.808 0.038 19413 3699 1 5 . 1 1 53 53 GLY H H 53 8.948 8.948 7.440 1.508 19413 3700 1 5 . 1 1 54 54 THR N N 54 118.129 118.129 116.115 2.014 19413 3701 1 5 . 1 1 54 54 THR HA H 54 4.161 4.161 4.492 -0.331 19413 3702 1 5 . 1 1 54 54 THR CA C 54 63.707 63.707 61.129 2.578 19413 3703 1 5 . 1 1 54 54 THR CB C 54 68.784 68.784 70.124 -1.340 19413 3704 1 5 . 1 1 54 54 THR H H 54 7.696 7.696 7.535 0.161 19413 3705 1 5 . 1 1 55 55 LYS N N 55 129.892 129.892 128.773 1.119 19413 3706 1 5 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.572 -0.197 19413 3707 1 5 . 1 1 55 55 LYS CA C 55 55.835 55.835 54.156 1.679 19413 3708 1 5 . 1 1 55 55 LYS CB C 55 33.448 33.448 33.669 -0.221 19413 3709 1 5 . 1 1 55 55 LYS H H 55 8.757 8.757 8.590 0.167 19413 3710 1 5 . 1 1 56 56 MET N N 56 125.391 125.391 128.041 -2.650 19413 3711 1 5 . 1 1 56 56 MET HA H 56 5.258 5.258 4.359 0.899 19413 3712 1 5 . 1 1 56 56 MET CA C 56 54.436 54.436 56.829 -2.393 19413 3713 1 5 . 1 1 56 56 MET CB C 56 34.394 34.394 32.426 1.968 19413 3714 1 5 . 1 1 56 56 MET H H 56 8.512 8.512 8.896 -0.384 19413 3715 1 5 . 1 1 57 57 THR N N 57 124.711 124.711 120.249 4.462 19413 3716 1 5 . 1 1 57 57 THR HA H 57 4.390 4.390 4.595 -0.205 19413 3717 1 5 . 1 1 57 57 THR CA C 57 61.942 61.942 60.672 1.270 19413 3718 1 5 . 1 1 57 57 THR CB C 57 70.952 70.952 71.386 -0.434 19413 3719 1 5 . 1 1 57 57 THR H H 57 8.830 8.830 8.006 0.824 19413 3720 1 5 . 1 1 58 58 LYS N N 58 126.113 126.113 120.776 5.337 19413 3721 1 5 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.540 0.742 19413 3722 1 5 . 1 1 58 58 LYS CA C 58 54.501 54.501 57.079 -2.578 19413 3723 1 5 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.060 1.357 19413 3724 1 5 . 1 1 58 58 LYS H H 58 8.739 8.739 8.311 0.428 19413 3725 1 5 . 1 1 59 59 TYR N N 59 127.472 127.472 124.423 3.049 19413 3726 1 5 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.916 0.710 19413 3727 1 5 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.197 -3.372 19413 3728 1 5 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.915 -0.230 19413 3729 1 5 . 1 1 59 59 TYR H H 59 9.524 9.524 9.083 0.441 19413 3730 1 5 . 1 1 60 60 HIS N N 60 123.656 123.656 119.456 4.200 19413 3731 1 5 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.480 -0.096 19413 3732 1 5 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.070 2.397 19413 3733 1 5 . 1 1 60 60 HIS CB C 60 30.819 30.819 30.846 -0.028 19413 3734 1 5 . 1 1 60 60 HIS H H 60 9.284 9.284 8.233 1.051 19413 3735 1 5 . 1 1 61 61 VAL N N 61 112.397 112.397 116.301 -3.904 19413 3736 1 5 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.870 -0.133 19413 3737 1 5 . 1 1 61 61 VAL CA C 61 58.079 58.079 60.425 -2.346 19413 3738 1 5 . 1 1 61 61 VAL CB C 61 33.885 33.885 34.228 -0.344 19413 3739 1 5 . 1 1 61 61 VAL H H 61 6.262 6.262 8.092 -1.830 19413 3740 1 5 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.242 -0.201 19413 3741 1 5 . 1 1 62 62 GLU CA C 62 56.328 56.328 57.322 -0.994 19413 3742 1 5 . 1 1 62 62 GLU CB C 62 29.752 29.752 28.535 1.217 19413 3743 1 5 . 1 1 63 63 PHE N N 63 111.215 111.215 120.119 -8.904 19413 3744 1 5 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.310 0.261 19413 3745 1 5 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.653 -1.944 19413 3746 1 5 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.219 -1.614 19413 3747 1 5 . 1 1 63 63 PHE H H 63 6.419 6.419 8.273 -1.854 19413 3748 1 5 . 1 1 64 64 LEU N N 64 119.701 119.701 119.426 0.275 19413 3749 1 5 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.438 0.257 19413 3750 1 5 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.157 -0.346 19413 3751 1 5 . 1 1 64 64 LEU CB C 64 44.338 44.338 44.847 -0.509 19413 3752 1 5 . 1 1 64 64 LEU H H 64 6.396 6.396 7.249 -0.853 19413 3753 1 5 . 1 1 65 65 GLY N N 65 108.957 108.957 108.743 0.214 19413 3754 1 5 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.727 -0.549 19413 3755 1 5 . 1 1 65 65 GLY H H 65 8.084 8.084 7.774 0.310 19413 3756 1 5 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.179 0.232 19413 3757 1 5 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.639 0.356 19413 3758 1 5 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.045 -0.254 19413 3759 1 5 . 1 1 67 67 LEU N N 67 114.479 114.479 119.163 -4.684 19413 3760 1 5 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.870 0.597 19413 3761 1 5 . 1 1 67 67 LEU CA C 67 52.893 52.893 53.846 -0.952 19413 3762 1 5 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.468 -0.030 19413 3763 1 5 . 1 1 67 67 LEU H H 67 7.484 7.484 8.159 -0.675 19413 3764 1 5 . 1 1 68 68 GLY N N 68 108.957 108.957 109.730 -0.773 19413 3765 1 5 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.319 2.188 19413 3766 1 5 . 1 1 68 68 GLY H H 68 7.659 7.659 7.841 -0.182 19413 3767 1 5 . 1 1 69 69 LYS N N 69 124.459 124.459 120.818 3.641 19413 3768 1 5 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.019 0.027 19413 3769 1 5 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.782 2.254 19413 3770 1 5 . 1 1 69 69 LYS CB C 69 31.592 31.592 31.884 -0.292 19413 3771 1 5 . 1 1 69 69 LYS H H 69 9.149 9.149 8.398 0.751 19413 3772 1 5 . 1 1 70 70 ASP N N 70 122.631 122.631 118.830 3.801 19413 3773 1 5 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.547 0.168 19413 3774 1 5 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.123 -0.228 19413 3775 1 5 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.420 1.737 19413 3776 1 5 . 1 1 70 70 ASP H H 70 8.519 8.519 8.392 0.127 19413 3777 1 5 . 1 1 71 71 LEU N N 71 119.276 119.276 120.441 -1.165 19413 3778 1 5 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.993 0.244 19413 3779 1 5 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.142 -0.865 19413 3780 1 5 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.717 1.360 19413 3781 1 5 . 1 1 71 71 LEU H H 71 9.421 9.421 8.063 1.358 19413 3782 1 5 . 1 1 72 72 THR N N 72 119.204 119.204 114.994 4.210 19413 3783 1 5 . 1 1 72 72 THR HA H 72 4.033 4.033 3.591 0.442 19413 3784 1 5 . 1 1 72 72 THR CA C 72 67.403 67.403 66.570 0.833 19413 3785 1 5 . 1 1 72 72 THR CB C 72 68.170 68.170 67.895 0.275 19413 3786 1 5 . 1 1 72 72 THR H H 72 7.762 7.762 7.990 -0.228 19413 3787 1 5 . 1 1 73 73 GLN N N 73 125.845 125.845 121.288 4.557 19413 3788 1 5 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.789 -0.126 19413 3789 1 5 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.596 0.807 19413 3790 1 5 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.241 -2.682 19413 3791 1 5 . 1 1 73 73 GLN H H 73 7.822 7.822 7.507 0.315 19413 3792 1 5 . 1 1 74 74 ALA N N 74 123.013 123.013 122.323 0.690 19413 3793 1 5 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.075 0.058 19413 3794 1 5 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.008 -0.104 19413 3795 1 5 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.350 0.800 19413 3796 1 5 . 1 1 74 74 ALA H H 74 8.966 8.966 7.510 1.456 19413 3797 1 5 . 1 1 75 75 TRP N N 75 120.717 120.717 119.828 0.889 19413 3798 1 5 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.486 0.413 19413 3799 1 5 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.305 -1.233 19413 3800 1 5 . 1 1 75 75 TRP CB C 75 29.591 29.591 30.014 -0.423 19413 3801 1 5 . 1 1 75 75 TRP H H 75 8.932 8.932 8.340 0.592 19413 3802 1 5 . 1 1 76 76 ALA N N 76 119.394 119.394 121.309 -1.915 19413 3803 1 5 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.922 0.053 19413 3804 1 5 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.191 -0.313 19413 3805 1 5 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.890 2.275 19413 3806 1 5 . 1 1 76 76 ALA H H 76 7.650 7.650 7.948 -0.298 19413 3807 1 5 . 1 1 77 77 VAL N N 77 119.658 119.658 118.725 0.933 19413 3808 1 5 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.569 -0.345 19413 3809 1 5 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.223 0.685 19413 3810 1 5 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.492 -1.375 19413 3811 1 5 . 1 1 77 77 VAL H H 77 8.074 8.074 7.570 0.504 19413 3812 1 5 . 1 1 78 78 ALA N N 78 121.951 121.951 122.347 -0.396 19413 3813 1 5 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.136 -0.112 19413 3814 1 5 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.057 -0.216 19413 3815 1 5 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.032 -0.532 19413 3816 1 5 . 1 1 78 78 ALA H H 78 8.421 8.421 7.596 0.825 19413 3817 1 5 . 1 1 79 79 ILE N N 79 118.384 118.384 118.063 0.321 19413 3818 1 5 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.464 0.152 19413 3819 1 5 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.725 -0.741 19413 3820 1 5 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.841 0.355 19413 3821 1 5 . 1 1 79 79 ILE H H 79 8.122 8.122 7.936 0.186 19413 3822 1 5 . 1 1 80 80 ALA N N 80 124.708 124.708 120.897 3.811 19413 3823 1 5 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.154 -0.176 19413 3824 1 5 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.520 0.395 19413 3825 1 5 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.981 -0.876 19413 3826 1 5 . 1 1 80 80 ALA H H 80 8.694 8.694 7.866 0.828 19413 3827 1 5 . 1 1 81 81 LEU N N 81 114.303 114.303 116.829 -2.526 19413 3828 1 5 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.466 -0.086 19413 3829 1 5 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.464 0.118 19413 3830 1 5 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.539 0.673 19413 3831 1 5 . 1 1 81 81 LEU H H 81 8.469 8.469 7.666 0.803 19413 3832 1 5 . 1 1 82 82 GLY N N 82 112.196 112.196 108.924 3.272 19413 3833 1 5 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.920 1.038 19413 3834 1 5 . 1 1 82 82 GLY H H 82 7.955 7.955 7.526 0.429 19413 3835 1 5 . 1 1 83 83 VAL N N 83 109.426 109.426 111.068 -1.642 19413 3836 1 5 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.514 0.407 19413 3837 1 5 . 1 1 83 83 VAL CA C 83 59.182 59.182 61.053 -1.871 19413 3838 1 5 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.502 -1.061 19413 3839 1 5 . 1 1 83 83 VAL H H 83 8.267 8.267 7.891 0.376 19413 3840 1 5 . 1 1 84 84 GLU N N 84 127.081 127.081 124.278 2.803 19413 3841 1 5 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.761 -0.177 19413 3842 1 5 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.409 0.947 19413 3843 1 5 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.248 0.721 19413 3844 1 5 . 1 1 84 84 GLU H H 84 10.566 10.566 8.604 1.962 19413 3845 1 5 . 1 1 85 85 ASP N N 85 117.467 117.467 115.135 2.332 19413 3846 1 5 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.541 0.046 19413 3847 1 5 . 1 1 85 85 ASP CA C 85 56.279 56.279 55.862 0.417 19413 3848 1 5 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.085 -0.353 19413 3849 1 5 . 1 1 85 85 ASP H H 85 8.946 8.946 8.620 0.326 19413 3850 1 5 . 1 1 86 86 LYS N N 86 119.121 119.121 117.300 1.821 19413 3851 1 5 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.238 0.181 19413 3852 1 5 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.776 -0.597 19413 3853 1 5 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.314 0.112 19413 3854 1 5 . 1 1 86 86 LYS H H 86 7.745 7.745 7.861 -0.116 19413 3855 1 5 . 1 1 87 87 ILE N N 87 108.193 108.193 113.004 -4.811 19413 3856 1 5 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.391 -0.153 19413 3857 1 5 . 1 1 87 87 ILE CA C 87 59.320 59.320 61.481 -2.161 19413 3858 1 5 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.132 1.868 19413 3859 1 5 . 1 1 87 87 ILE H H 87 7.343 7.343 7.580 -0.237 19413 3860 1 5 . 1 1 88 88 THR N N 88 119.455 119.455 118.557 0.898 19413 3861 1 5 . 1 1 88 88 THR HA H 88 4.053 4.053 4.261 -0.208 19413 3862 1 5 . 1 1 88 88 THR CA C 88 69.780 69.780 67.796 1.984 19413 3863 1 5 . 1 1 88 88 THR CB C 88 68.491 68.491 68.112 0.378 19413 3864 1 5 . 1 1 88 88 THR H H 88 7.746 7.746 8.392 -0.646 19413 3865 1 5 . 1 1 89 89 ALA N N 89 123.122 123.122 122.851 0.271 19413 3866 1 5 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.357 0.243 19413 3867 1 5 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.231 1.060 19413 3868 1 5 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.797 -1.600 19413 3869 1 5 . 1 1 89 89 ALA H H 89 9.125 9.125 8.697 0.428 19413 3870 1 5 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.419 -0.003 19413 3871 1 5 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.507 -0.286 19413 3872 1 5 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.442 -0.031 19413 3873 1 5 . 1 1 91 91 MET N N 91 119.468 119.468 119.224 0.244 19413 3874 1 5 . 1 1 91 91 MET HA H 91 4.370 4.370 4.227 0.143 19413 3875 1 5 . 1 1 91 91 MET CA C 91 56.901 56.901 58.970 -2.069 19413 3876 1 5 . 1 1 91 91 MET CB C 91 30.059 30.059 32.589 -2.530 19413 3877 1 5 . 1 1 91 91 MET H H 91 8.176 8.176 7.771 0.405 19413 3878 1 5 . 1 1 92 92 PHE N N 92 120.720 120.720 118.959 1.761 19413 3879 1 5 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.325 0.193 19413 3880 1 5 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.948 2.935 19413 3881 1 5 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.324 1.000 19413 3882 1 5 . 1 1 92 92 PHE H H 92 8.650 8.650 8.940 -0.290 19413 3883 1 5 . 1 1 93 93 GLU N N 93 117.705 117.705 120.161 -2.456 19413 3884 1 5 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.096 -0.030 19413 3885 1 5 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.782 -0.379 19413 3886 1 5 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.774 -0.132 19413 3887 1 5 . 1 1 93 93 GLU H H 93 8.240 8.240 8.753 -0.513 19413 3888 1 5 . 1 1 94 94 ALA N N 94 123.067 123.067 120.952 2.115 19413 3889 1 5 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.659 -0.208 19413 3890 1 5 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.158 -0.163 19413 3891 1 5 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.296 -0.293 19413 3892 1 5 . 1 1 94 94 ALA H H 94 8.431 8.431 7.921 0.510 19413 3893 1 5 . 1 1 95 95 VAL N N 95 115.582 115.582 117.599 -2.017 19413 3894 1 5 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.651 0.071 19413 3895 1 5 . 1 1 95 95 VAL CA C 95 65.804 65.804 65.448 0.356 19413 3896 1 5 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.291 -0.552 19413 3897 1 5 . 1 1 95 95 VAL H H 95 8.467 8.467 8.020 0.447 19413 3898 1 5 . 1 1 96 96 GLN N N 96 113.295 113.295 118.715 -5.420 19413 3899 1 5 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.230 0.321 19413 3900 1 5 . 1 1 96 96 GLN CA C 96 58.226 58.226 58.019 0.207 19413 3901 1 5 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.444 1.235 19413 3902 1 5 . 1 1 96 96 GLN H H 96 8.184 8.184 8.277 -0.093 19413 3903 1 5 . 1 1 97 97 LYS N N 97 118.621 118.621 119.892 -1.271 19413 3904 1 5 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.138 0.549 19413 3905 1 5 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.732 -1.573 19413 3906 1 5 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.023 -0.481 19413 3907 1 5 . 1 1 97 97 LYS H H 97 8.231 8.231 7.732 0.499 19413 3908 1 5 . 1 1 98 98 THR N N 98 110.486 110.486 107.153 3.333 19413 3909 1 5 . 1 1 98 98 THR HA H 98 4.285 4.285 4.365 -0.080 19413 3910 1 5 . 1 1 98 98 THR CA C 98 62.420 62.420 61.901 0.518 19413 3911 1 5 . 1 1 98 98 THR CB C 98 68.343 68.343 70.373 -2.030 19413 3912 1 5 . 1 1 98 98 THR H H 98 8.612 8.612 8.168 0.444 19413 3913 1 5 . 1 1 99 99 GLN N N 99 115.751 115.751 116.410 -0.659 19413 3914 1 5 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.249 -0.064 19413 3915 1 5 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.068 -0.082 19413 3916 1 5 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.413 -0.790 19413 3917 1 5 . 1 1 99 99 GLN H H 99 6.979 6.979 8.304 -1.325 19413 3918 1 5 . 1 1 100 100 THR N N 100 108.660 108.660 112.225 -3.565 19413 3919 1 5 . 1 1 100 100 THR HA H 100 4.350 4.350 4.125 0.225 19413 3920 1 5 . 1 1 100 100 THR CA C 100 61.035 61.035 64.111 -3.076 19413 3921 1 5 . 1 1 100 100 THR CB C 100 68.306 68.306 69.253 -0.947 19413 3922 1 5 . 1 1 100 100 THR H H 100 8.362 8.362 7.651 0.711 19413 3923 1 5 . 1 1 101 101 VAL N N 101 121.417 121.417 122.383 -0.966 19413 3924 1 5 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.734 0.459 19413 3925 1 5 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.435 -2.468 19413 3926 1 5 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.318 1.031 19413 3927 1 5 . 1 1 101 101 VAL H H 101 7.376 7.376 7.630 -0.254 19413 3928 1 5 . 1 1 102 102 GLN N N 102 127.472 127.472 126.195 1.277 19413 3929 1 5 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.514 0.050 19413 3930 1 5 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.883 -0.767 19413 3931 1 5 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.046 -1.278 19413 3932 1 5 . 1 1 102 102 GLN H H 102 9.583 9.583 9.051 0.532 19413 3933 1 5 . 1 1 103 103 SER N N 103 116.698 116.698 113.796 2.902 19413 3934 1 5 . 1 1 103 103 SER HA H 103 4.883 4.883 4.817 0.066 19413 3935 1 5 . 1 1 103 103 SER CA C 103 56.423 56.423 56.462 -0.039 19413 3936 1 5 . 1 1 103 103 SER CB C 103 66.834 66.834 66.351 0.483 19413 3937 1 5 . 1 1 103 103 SER H H 103 8.539 8.539 8.739 -0.200 19413 3938 1 5 . 1 1 104 104 VAL N N 104 120.375 120.375 122.591 -2.216 19413 3939 1 5 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.558 0.182 19413 3940 1 5 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.675 -0.920 19413 3941 1 5 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.494 -0.565 19413 3942 1 5 . 1 1 104 104 VAL H H 104 8.929 8.929 8.897 0.032 19413 3943 1 5 . 1 1 105 105 ALA N N 105 125.255 125.255 121.722 3.533 19413 3944 1 5 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.858 0.142 19413 3945 1 5 . 1 1 105 105 ALA CA C 105 54.906 54.906 55.052 -0.146 19413 3946 1 5 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.639 0.414 19413 3947 1 5 . 1 1 105 105 ALA H H 105 8.099 8.099 8.347 -0.248 19413 3948 1 5 . 1 1 106 106 ASP N N 106 118.317 118.317 118.323 -0.006 19413 3949 1 5 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.455 -0.080 19413 3950 1 5 . 1 1 106 106 ASP CA C 106 56.664 56.664 57.029 -0.365 19413 3951 1 5 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.000 1.767 19413 3952 1 5 . 1 1 106 106 ASP H H 106 7.603 7.603 7.995 -0.392 19413 3953 1 5 . 1 1 107 107 ILE N N 107 120.210 120.210 119.861 0.349 19413 3954 1 5 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.822 -0.491 19413 3955 1 5 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.981 0.628 19413 3956 1 5 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.742 0.148 19413 3957 1 5 . 1 1 107 107 ILE H H 107 7.342 7.342 7.221 0.121 19413 3958 1 5 . 1 1 108 108 ARG N N 108 119.234 119.234 119.104 0.130 19413 3959 1 5 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.431 -0.634 19413 3960 1 5 . 1 1 108 108 ARG CA C 108 58.656 58.656 59.148 -0.492 19413 3961 1 5 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.771 1.071 19413 3962 1 5 . 1 1 108 108 ARG H H 108 6.677 6.677 8.383 -1.706 19413 3963 1 5 . 1 1 109 109 LYS N N 109 117.662 117.662 120.815 -3.153 19413 3964 1 5 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.022 -0.176 19413 3965 1 5 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.304 -0.085 19413 3966 1 5 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.989 -0.015 19413 3967 1 5 . 1 1 109 109 LYS H H 109 7.164 7.164 7.638 -0.474 19413 3968 1 5 . 1 1 110 110 VAL N N 110 118.257 118.257 118.890 -0.633 19413 3969 1 5 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.779 -0.138 19413 3970 1 5 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.277 -0.215 19413 3971 1 5 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.495 -0.271 19413 3972 1 5 . 1 1 110 110 VAL H H 110 7.269 7.269 7.514 -0.245 19413 3973 1 5 . 1 1 111 111 PHE N N 111 118.699 118.699 119.350 -0.651 19413 3974 1 5 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.144 -0.234 19413 3975 1 5 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.748 -1.268 19413 3976 1 5 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.471 -0.048 19413 3977 1 5 . 1 1 111 111 PHE H H 111 7.411 7.411 7.964 -0.553 19413 3978 1 5 . 1 1 112 112 VAL N N 112 121.527 121.527 119.928 1.599 19413 3979 1 5 . 1 1 112 112 VAL HA H 112 4.611 4.611 4.082 0.529 19413 3980 1 5 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.915 -1.196 19413 3981 1 5 . 1 1 112 112 VAL CB C 112 31.371 31.371 30.922 0.449 19413 3982 1 5 . 1 1 112 112 VAL H H 112 8.424 8.424 7.763 0.661 19413 3983 1 5 . 1 1 113 113 ASP N N 113 124.032 124.032 121.915 2.117 19413 3984 1 5 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.453 -0.006 19413 3985 1 5 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.975 -0.297 19413 3986 1 5 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.390 -1.110 19413 3987 1 5 . 1 1 113 113 ASP H H 113 9.048 9.048 8.630 0.418 19413 3988 1 5 . 1 1 114 114 ALA N N 114 121.399 121.399 119.144 2.255 19413 3989 1 5 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.295 0.172 19413 3990 1 5 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.724 -0.846 19413 3991 1 5 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.505 -0.892 19413 3992 1 5 . 1 1 114 114 ALA H H 114 7.505 7.505 7.998 -0.493 19413 3993 1 5 . 1 1 115 115 GLY N N 115 105.755 105.755 105.841 -0.086 19413 3994 1 5 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.653 0.450 19413 3995 1 5 . 1 1 115 115 GLY H H 115 7.895 7.895 7.802 0.093 19413 3996 1 5 . 1 1 116 116 VAL N N 116 124.542 124.542 121.600 2.942 19413 3997 1 5 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.299 -0.279 19413 3998 1 5 . 1 1 116 116 VAL CA C 116 61.601 61.601 61.009 0.592 19413 3999 1 5 . 1 1 116 116 VAL CB C 116 31.739 31.739 32.833 -1.094 19413 4000 1 5 . 1 1 116 116 VAL H H 116 8.095 8.095 8.069 0.026 19413 4001 1 5 . 1 1 117 117 LYS N N 117 128.363 128.363 128.528 -0.165 19413 4002 1 5 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.257 -0.074 19413 4003 1 5 . 1 1 117 117 LYS CA C 117 57.085 57.085 56.709 0.376 19413 4004 1 5 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.524 -1.712 19413 4005 1 5 . 1 1 117 117 LYS H H 117 9.102 9.102 9.015 0.087 19413 4006 1 5 . 1 1 118 118 GLY N N 118 116.049 116.049 110.605 5.444 19413 4007 1 5 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.696 0.972 19413 4008 1 5 . 1 1 118 118 GLY H H 118 9.300 9.300 8.717 0.583 19413 4009 1 5 . 1 1 119 119 GLU N N 119 118.512 118.512 118.834 -0.322 19413 4010 1 5 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.338 -0.112 19413 4011 1 5 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.176 1.347 19413 4012 1 5 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.556 -0.744 19413 4013 1 5 . 1 1 119 119 GLU H H 119 9.501 9.501 8.647 0.854 19413 4014 1 5 . 1 1 120 120 ASP N N 120 121.262 121.262 121.578 -0.316 19413 4015 1 5 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.475 0.104 19413 4016 1 5 . 1 1 120 120 ASP CA C 120 56.559 56.559 57.196 -0.637 19413 4017 1 5 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.039 -1.407 19413 4018 1 5 . 1 1 120 120 ASP H H 120 7.088 7.088 7.612 -0.524 19413 4019 1 5 . 1 1 121 121 TYR N N 121 123.619 123.619 120.507 3.112 19413 4020 1 5 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.065 -0.343 19413 4021 1 5 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.202 -0.051 19413 4022 1 5 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.476 -0.474 19413 4023 1 5 . 1 1 121 121 TYR H H 121 7.986 7.986 8.029 -0.043 19413 4024 1 5 . 1 1 122 122 ASP N N 122 119.702 119.702 118.073 1.629 19413 4025 1 5 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.528 -0.274 19413 4026 1 5 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.291 0.831 19413 4027 1 5 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.947 -1.336 19413 4028 1 5 . 1 1 122 122 ASP H H 122 8.812 8.812 8.046 0.766 19413 4029 1 5 . 1 1 123 123 ALA N N 123 121.138 121.138 122.004 -0.866 19413 4030 1 5 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.151 0.075 19413 4031 1 5 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.749 -0.520 19413 4032 1 5 . 1 1 123 123 ALA CB C 123 18.126 18.126 18.906 -0.780 19413 4033 1 5 . 1 1 123 123 ALA H H 123 7.696 7.696 7.749 -0.053 19413 4034 1 5 . 1 1 124 124 ALA N N 124 120.299 120.299 122.210 -1.911 19413 4035 1 5 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.059 0.047 19413 4036 1 5 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.774 -0.448 19413 4037 1 5 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.153 0.412 19413 4038 1 5 . 1 1 124 124 ALA H H 124 7.935 7.935 8.204 -0.269 19413 4039 1 5 . 1 1 125 125 TRP N N 125 121.357 121.357 119.475 1.882 19413 4040 1 5 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.246 -0.770 19413 4041 1 5 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.539 0.924 19413 4042 1 5 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.400 -1.023 19413 4043 1 5 . 1 1 125 125 TRP H H 125 8.948 8.948 8.214 0.734 19413 4044 1 5 . 1 1 126 126 ASN N N 126 110.817 110.817 112.505 -1.688 19413 4045 1 5 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.673 0.170 19413 4046 1 5 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.547 -0.025 19413 4047 1 5 . 1 1 126 126 ASN CB C 126 40.070 40.070 40.103 -0.033 19413 4048 1 5 . 1 1 126 126 ASN H H 126 7.024 7.024 7.817 -0.793 19413 4049 1 5 . 1 1 127 127 SER N N 127 116.650 116.650 116.112 0.538 19413 4050 1 5 . 1 1 127 127 SER HA H 127 4.472 4.472 4.078 0.394 19413 4051 1 5 . 1 1 127 127 SER CA C 127 58.535 58.535 56.596 1.939 19413 4052 1 5 . 1 1 127 127 SER CB C 127 65.513 65.513 64.072 1.441 19413 4053 1 5 . 1 1 127 127 SER H H 127 7.831 7.831 7.674 0.157 19413 4054 1 5 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.289 -0.011 19413 4055 1 5 . 1 1 128 128 PHE CA C 128 61.055 61.055 58.447 2.608 19413 4056 1 5 . 1 1 128 128 PHE CB C 128 38.368 38.368 37.102 1.266 19413 4057 1 5 . 1 1 129 129 VAL N N 129 120.058 120.058 120.813 -0.755 19413 4058 1 5 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.639 0.075 19413 4059 1 5 . 1 1 129 129 VAL CA C 129 65.672 65.672 67.167 -1.495 19413 4060 1 5 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.435 0.343 19413 4061 1 5 . 1 1 129 129 VAL H H 129 8.340 8.340 7.765 0.575 19413 4062 1 5 . 1 1 130 130 VAL N N 130 122.552 122.552 118.498 4.054 19413 4063 1 5 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.462 0.049 19413 4064 1 5 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.680 0.154 19413 4065 1 5 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.321 -0.097 19413 4066 1 5 . 1 1 130 130 VAL H H 130 7.163 7.163 7.745 -0.582 19413 4067 1 5 . 1 1 131 131 LYS N N 131 122.079 122.079 120.083 1.996 19413 4068 1 5 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.845 -0.089 19413 4069 1 5 . 1 1 131 131 LYS CA C 131 59.734 59.734 60.390 -0.656 19413 4070 1 5 . 1 1 131 131 LYS CB C 131 31.518 31.518 32.088 -0.570 19413 4071 1 5 . 1 1 131 131 LYS H H 131 7.852 7.852 7.734 0.118 19413 4072 1 5 . 1 1 132 132 SER N N 132 115.836 115.836 114.780 1.056 19413 4073 1 5 . 1 1 132 132 SER HA H 132 4.155 4.155 4.370 -0.215 19413 4074 1 5 . 1 1 132 132 SER CA C 132 61.022 61.022 61.074 -0.052 19413 4075 1 5 . 1 1 132 132 SER CB C 132 62.309 62.309 62.956 -0.647 19413 4076 1 5 . 1 1 132 132 SER H H 132 8.258 8.258 8.304 -0.046 19413 4077 1 5 . 1 1 133 133 LEU N N 133 124.754 124.754 123.913 0.841 19413 4078 1 5 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.971 0.226 19413 4079 1 5 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.978 -0.415 19413 4080 1 5 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.915 2.246 19413 4081 1 5 . 1 1 133 133 LEU H H 133 8.140 8.140 7.564 0.576 19413 4082 1 5 . 1 1 134 134 VAL N N 134 123.461 123.461 119.073 4.388 19413 4083 1 5 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.684 -0.403 19413 4084 1 5 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.429 2.428 19413 4085 1 5 . 1 1 134 134 VAL CB C 134 30.856 30.856 30.852 0.004 19413 4086 1 5 . 1 1 134 134 VAL H H 134 8.718 8.718 8.554 0.164 19413 4087 1 5 . 1 1 135 135 ALA N N 135 121.739 121.739 120.308 1.431 19413 4088 1 5 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.937 0.227 19413 4089 1 5 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.461 -0.532 19413 4090 1 5 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.094 -0.668 19413 4091 1 5 . 1 1 135 135 ALA H H 135 7.513 7.513 8.048 -0.535 19413 4092 1 5 . 1 1 136 136 GLN N N 136 119.033 119.033 117.484 1.549 19413 4093 1 5 . 1 1 136 136 GLN HA H 136 4.076 4.076 4.010 0.066 19413 4094 1 5 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.074 0.035 19413 4095 1 5 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.656 0.429 19413 4096 1 5 . 1 1 136 136 GLN H H 136 8.473 8.473 7.953 0.520 19413 4097 1 5 . 1 1 137 137 GLN N N 137 119.734 119.734 117.932 1.802 19413 4098 1 5 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.112 -0.600 19413 4099 1 5 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.300 1.583 19413 4100 1 5 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.387 2.457 19413 4101 1 5 . 1 1 137 137 GLN H H 137 7.995 7.995 7.686 0.309 19413 4102 1 5 . 1 1 138 138 GLU N N 138 121.309 121.309 121.158 0.151 19413 4103 1 5 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.188 -0.253 19413 4104 1 5 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.722 -0.745 19413 4105 1 5 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.560 -0.595 19413 4106 1 5 . 1 1 138 138 GLU H H 138 8.291 8.291 8.856 -0.565 19413 4107 1 5 . 1 1 139 139 LYS N N 139 122.121 122.121 118.715 3.406 19413 4108 1 5 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.147 -0.030 19413 4109 1 5 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.444 0.480 19413 4110 1 5 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.447 0.145 19413 4111 1 5 . 1 1 139 139 LYS H H 139 8.603 8.603 8.159 0.444 19413 4112 1 5 . 1 1 140 140 ALA N N 140 120.286 120.286 117.224 3.062 19413 4113 1 5 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.678 -0.268 19413 4114 1 5 . 1 1 140 140 ALA CA C 140 55.063 55.063 52.643 2.420 19413 4115 1 5 . 1 1 140 140 ALA CB C 140 18.446 18.446 20.767 -2.321 19413 4116 1 5 . 1 1 140 140 ALA H H 140 8.140 8.140 7.482 0.658 19413 4117 1 5 . 1 1 141 141 ALA N N 141 116.994 116.994 118.654 -1.660 19413 4118 1 5 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.739 -1.091 19413 4119 1 5 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.522 1.993 19413 4120 1 5 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.971 -2.970 19413 4121 1 5 . 1 1 141 141 ALA H H 141 7.251 7.251 7.989 -0.738 19413 4122 1 5 . 1 1 142 142 ALA N N 142 121.272 121.272 119.971 1.301 19413 4123 1 5 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.616 -0.432 19413 4124 1 5 . 1 1 142 142 ALA CA C 142 54.657 54.657 51.971 2.686 19413 4125 1 5 . 1 1 142 142 ALA CB C 142 18.217 18.217 19.828 -1.611 19413 4126 1 5 . 1 1 142 142 ALA H H 142 7.940 7.940 8.149 -0.209 19413 4127 1 5 . 1 1 143 143 ASP N N 143 121.599 121.599 120.045 1.554 19413 4128 1 5 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.462 -0.126 19413 4129 1 5 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.861 0.113 19413 4130 1 5 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.591 -1.556 19413 4131 1 5 . 1 1 143 143 ASP H H 143 9.272 9.272 8.126 1.146 19413 4132 1 5 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.815 -0.704 19413 4133 1 5 . 1 1 144 144 LEU CA C 144 54.547 54.547 56.172 -1.625 19413 4134 1 5 . 1 1 144 144 LEU CB C 144 41.055 41.055 41.178 -0.123 19413 4135 1 5 . 1 1 145 145 GLN N N 145 116.940 116.940 119.686 -2.746 19413 4136 1 5 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.189 -0.437 19413 4137 1 5 . 1 1 145 145 GLN CA C 145 55.823 55.823 57.029 -1.206 19413 4138 1 5 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.602 -2.470 19413 4139 1 5 . 1 1 145 145 GLN H H 145 7.750 7.750 7.800 -0.050 19413 4140 1 5 . 1 1 146 146 LEU N N 146 119.399 119.399 118.977 0.422 19413 4141 1 5 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.235 -0.349 19413 4142 1 5 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.176 1.137 19413 4143 1 5 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.809 0.334 19413 4144 1 5 . 1 1 146 146 LEU H H 146 7.516 7.516 7.957 -0.441 19413 4145 1 5 . 1 1 147 147 GLN N N 147 123.118 123.118 115.245 7.873 19413 4146 1 5 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.673 0.474 19413 4147 1 5 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.223 -1.356 19413 4148 1 5 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.360 3.165 19413 4149 1 5 . 1 1 147 147 GLN H H 147 8.895 8.895 8.239 0.656 19413 4150 1 5 . 1 1 148 148 GLY N N 148 106.555 106.555 105.015 1.540 19413 4151 1 5 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.531 0.573 19413 4152 1 5 . 1 1 148 148 GLY H H 148 7.275 7.275 7.440 -0.165 19413 4153 1 5 . 1 1 149 149 VAL N N 149 110.030 110.030 117.741 -7.711 19413 4154 1 5 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.488 -0.017 19413 4155 1 5 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.413 -0.776 19413 4156 1 5 . 1 1 149 149 VAL CB C 149 34.682 34.682 31.945 2.737 19413 4157 1 5 . 1 1 149 149 VAL H H 149 8.267 8.267 8.108 0.159 19413 4158 1 5 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.841 -0.031 19413 4159 1 5 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.510 -0.366 19413 4160 1 5 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.835 2.091 19413 4161 1 5 . 1 1 151 151 ALA N N 151 123.567 123.567 120.727 2.840 19413 4162 1 5 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.797 0.088 19413 4163 1 5 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.204 0.421 19413 4164 1 5 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.875 1.972 19413 4165 1 5 . 1 1 151 151 ALA H H 151 8.249 8.249 8.746 -0.497 19413 4166 1 5 . 1 1 152 152 MET N N 152 121.866 121.866 120.774 1.092 19413 4167 1 5 . 1 1 152 152 MET HA H 152 5.724 5.724 5.208 0.516 19413 4168 1 5 . 1 1 152 152 MET CA C 152 55.487 55.487 55.448 0.039 19413 4169 1 5 . 1 1 152 152 MET CB C 152 36.830 36.830 36.710 0.120 19413 4170 1 5 . 1 1 152 152 MET H H 152 8.610 8.610 8.929 -0.319 19413 4171 1 5 . 1 1 153 153 TYR N N 153 124.782 124.782 124.556 0.226 19413 4172 1 5 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.070 0.684 19413 4173 1 5 . 1 1 153 153 TYR CA C 153 56.208 56.208 58.111 -1.903 19413 4174 1 5 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.967 3.023 19413 4175 1 5 . 1 1 153 153 TYR H H 153 9.685 9.685 9.526 0.159 19413 4176 1 5 . 1 1 154 154 VAL N N 154 121.914 121.914 123.337 -1.423 19413 4177 1 5 . 1 1 154 154 VAL CB C 154 34.660 34.660 32.670 1.990 19413 4178 1 5 . 1 1 154 154 VAL H H 154 9.441 9.441 8.854 0.587 19413 4179 1 5 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.781 -0.042 19413 4180 1 5 . 1 1 155 155 ASN CA C 155 54.473 54.473 52.862 1.611 19413 4181 1 5 . 1 1 155 155 ASN CB C 155 37.154 37.154 39.977 -2.823 19413 4182 1 5 . 1 1 156 156 GLY N N 156 106.059 106.059 110.788 -4.729 19413 4183 1 5 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.806 -0.620 19413 4184 1 5 . 1 1 156 156 GLY H H 156 9.354 9.354 8.697 0.657 19413 4185 1 5 . 1 1 157 157 LYS N N 157 114.357 114.357 121.019 -6.662 19413 4186 1 5 . 1 1 157 157 LYS HA H 157 4.552 4.552 3.964 0.588 19413 4187 1 5 . 1 1 157 157 LYS CA C 157 56.755 56.755 58.007 -1.252 19413 4188 1 5 . 1 1 157 157 LYS CB C 157 36.788 36.788 32.431 4.357 19413 4189 1 5 . 1 1 157 157 LYS H H 157 7.877 7.877 8.059 -0.182 19413 4190 1 5 . 1 1 158 158 TYR N N 158 117.900 117.900 116.162 1.738 19413 4191 1 5 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.629 0.235 19413 4192 1 5 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.204 -0.348 19413 4193 1 5 . 1 1 158 158 TYR CB C 158 42.879 42.879 40.595 2.284 19413 4194 1 5 . 1 1 158 158 TYR H H 158 7.876 7.876 7.599 0.277 19413 4195 1 5 . 1 1 159 159 GLN N N 159 125.094 125.094 121.882 3.212 19413 4196 1 5 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.064 -0.311 19413 4197 1 5 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.490 -0.084 19413 4198 1 5 . 1 1 159 159 GLN CB C 159 31.849 31.849 32.594 -0.745 19413 4199 1 5 . 1 1 159 159 GLN H H 159 9.701 9.701 8.562 1.139 19413 4200 1 5 . 1 1 160 160 LEU N N 160 131.941 131.941 125.092 6.849 19413 4201 1 5 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.212 -0.201 19413 4202 1 5 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.632 -1.637 19413 4203 1 5 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.437 -1.362 19413 4204 1 5 . 1 1 160 160 LEU H H 160 8.551 8.551 8.381 0.170 19413 4205 1 5 . 1 1 161 161 ASN N N 161 118.639 118.639 121.413 -2.774 19413 4206 1 5 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.210 0.286 19413 4207 1 5 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.330 -0.561 19413 4208 1 5 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.281 -0.370 19413 4209 1 5 . 1 1 161 161 ASN H H 161 8.285 8.285 8.372 -0.087 19413 4210 1 5 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.764 0.025 19413 4211 1 5 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.187 -0.413 19413 4212 1 5 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.445 -0.267 19413 4213 1 5 . 1 1 163 163 GLN N N 163 116.006 116.006 118.511 -2.505 19413 4214 1 5 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.105 0.121 19413 4215 1 5 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.938 0.028 19413 4216 1 5 . 1 1 163 163 GLN CB C 163 27.976 27.976 27.279 0.697 19413 4217 1 5 . 1 1 163 163 GLN H H 163 8.086 8.086 8.702 -0.616 19413 4218 1 5 . 1 1 164 164 GLY N N 164 107.393 107.393 106.165 1.228 19413 4219 1 5 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.204 0.399 19413 4220 1 5 . 1 1 164 164 GLY H H 164 8.030 8.030 7.853 0.177 19413 4221 1 5 . 1 1 165 165 MET N N 165 119.802 119.802 119.227 0.575 19413 4222 1 5 . 1 1 165 165 MET HA H 165 4.636 4.636 4.548 0.088 19413 4223 1 5 . 1 1 165 165 MET CA C 165 54.567 54.567 55.959 -1.392 19413 4224 1 5 . 1 1 165 165 MET CB C 165 34.464 34.464 34.187 0.277 19413 4225 1 5 . 1 1 165 165 MET H H 165 7.451 7.451 7.751 -0.300 19413 4226 1 5 . 1 1 166 166 ASP N N 166 121.681 121.681 119.704 1.977 19413 4227 1 5 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.642 -0.009 19413 4228 1 5 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.492 -0.311 19413 4229 1 5 . 1 1 166 166 ASP CB C 166 40.653 40.653 40.644 0.009 19413 4230 1 5 . 1 1 166 166 ASP H H 166 8.694 8.694 8.726 -0.032 19413 4231 1 5 . 1 1 167 167 THR N N 167 112.609 112.609 115.844 -3.235 19413 4232 1 5 . 1 1 167 167 THR HA H 167 4.224 4.224 4.739 -0.515 19413 4233 1 5 . 1 1 167 167 THR CA C 167 60.340 60.340 61.077 -0.737 19413 4234 1 5 . 1 1 167 167 THR CB C 167 68.416 68.416 68.723 -0.307 19413 4235 1 5 . 1 1 167 167 THR H H 167 7.860 7.860 8.400 -0.540 19413 4236 1 5 . 1 1 168 168 SER N N 168 118.936 118.936 117.064 1.872 19413 4237 1 5 . 1 1 168 168 SER HA H 168 4.158 4.158 4.689 -0.531 19413 4238 1 5 . 1 1 168 168 SER CA C 168 60.874 60.874 58.989 1.885 19413 4239 1 5 . 1 1 168 168 SER CB C 168 63.123 63.123 63.899 -0.776 19413 4240 1 5 . 1 1 168 168 SER H H 168 8.739 8.739 8.628 0.111 19413 4241 1 5 . 1 1 169 169 ASN N N 169 117.875 117.875 118.367 -0.492 19413 4242 1 5 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.888 -0.115 19413 4243 1 5 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.095 -0.747 19413 4244 1 5 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.413 0.279 19413 4245 1 5 . 1 1 169 169 ASN H H 169 7.341 7.341 8.138 -0.797 19413 4246 1 5 . 1 1 170 170 MET N N 170 123.431 123.431 116.053 7.378 19413 4247 1 5 . 1 1 170 170 MET HA H 170 4.600 4.600 3.996 0.604 19413 4248 1 5 . 1 1 170 170 MET CA C 170 57.233 57.233 58.665 -1.432 19413 4249 1 5 . 1 1 170 170 MET CB C 170 32.751 32.751 30.295 2.456 19413 4250 1 5 . 1 1 170 170 MET H H 170 9.186 9.186 8.317 0.869 19413 4251 1 5 . 1 1 171 171 ASP N N 171 120.825 120.825 120.340 0.485 19413 4252 1 5 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.301 0.192 19413 4253 1 5 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.943 -0.437 19413 4254 1 5 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.099 -1.312 19413 4255 1 5 . 1 1 171 171 ASP H H 171 8.232 8.232 8.185 0.047 19413 4256 1 5 . 1 1 172 172 VAL N N 172 122.666 122.666 117.668 4.998 19413 4257 1 5 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.788 -0.010 19413 4258 1 5 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.231 0.308 19413 4259 1 5 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.682 0.173 19413 4260 1 5 . 1 1 172 172 VAL H H 172 7.872 7.872 7.890 -0.018 19413 4261 1 5 . 1 1 173 173 PHE N N 173 121.872 121.872 122.413 -0.541 19413 4262 1 5 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.468 -0.088 19413 4263 1 5 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.170 0.294 19413 4264 1 5 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.906 0.368 19413 4265 1 5 . 1 1 173 173 PHE H H 173 8.250 8.250 7.665 0.585 19413 4266 1 5 . 1 1 174 174 VAL N N 174 117.535 117.535 119.369 -1.834 19413 4267 1 5 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.098 -0.055 19413 4268 1 5 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.076 0.827 19413 4269 1 5 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.758 0.613 19413 4270 1 5 . 1 1 174 174 VAL H H 174 8.138 8.138 7.650 0.488 19413 4271 1 5 . 1 1 175 175 ALA N N 175 121.129 121.129 121.948 -0.819 19413 4272 1 5 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.952 0.174 19413 4273 1 5 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.054 -0.286 19413 4274 1 5 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.413 -0.399 19413 4275 1 5 . 1 1 175 175 ALA H H 175 7.396 7.396 7.951 -0.555 19413 4276 1 5 . 1 1 176 176 GLN N N 176 120.043 120.043 117.035 3.008 19413 4277 1 5 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.122 -0.043 19413 4278 1 5 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.021 0.941 19413 4279 1 5 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.180 -1.131 19413 4280 1 5 . 1 1 176 176 GLN H H 176 8.721 8.721 7.513 1.208 19413 4281 1 5 . 1 1 177 177 TYR N N 177 127.981 127.981 123.216 4.765 19413 4282 1 5 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.996 -0.405 19413 4283 1 5 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.560 0.002 19413 4284 1 5 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.080 -0.102 19413 4285 1 5 . 1 1 177 177 TYR H H 177 9.002 9.002 8.286 0.716 19413 4286 1 5 . 1 1 178 178 ALA N N 178 119.796 119.796 119.133 0.663 19413 4287 1 5 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.936 0.094 19413 4288 1 5 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.320 0.085 19413 4289 1 5 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.087 -0.118 19413 4290 1 5 . 1 1 178 178 ALA H H 178 8.392 8.392 8.248 0.144 19413 4291 1 5 . 1 1 179 179 ASP N N 179 117.823 117.823 118.022 -0.199 19413 4292 1 5 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.325 0.094 19413 4293 1 5 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.462 -0.166 19413 4294 1 5 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.782 1.021 19413 4295 1 5 . 1 1 179 179 ASP H H 179 8.379 8.379 7.552 0.827 19413 4296 1 5 . 1 1 180 180 THR N N 180 117.846 117.846 117.729 0.117 19413 4297 1 5 . 1 1 180 180 THR HA H 180 4.179 4.179 3.818 0.361 19413 4298 1 5 . 1 1 180 180 THR CA C 180 67.378 67.378 66.757 0.621 19413 4299 1 5 . 1 1 180 180 THR CB C 180 67.733 67.733 68.765 -1.032 19413 4300 1 5 . 1 1 180 180 THR H H 180 8.255 8.255 8.185 0.070 19413 4301 1 5 . 1 1 181 181 VAL N N 181 120.101 120.101 121.365 -1.264 19413 4302 1 5 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.487 -0.306 19413 4303 1 5 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.866 0.914 19413 4304 1 5 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.210 -0.279 19413 4305 1 5 . 1 1 181 181 VAL H H 181 7.772 7.772 8.044 -0.272 19413 4306 1 5 . 1 1 182 182 LYS N N 182 119.144 119.144 118.322 0.822 19413 4307 1 5 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.894 -0.264 19413 4308 1 5 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.182 1.179 19413 4309 1 5 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.146 0.134 19413 4310 1 5 . 1 1 182 182 LYS H H 182 7.758 7.758 7.492 0.266 19413 4311 1 5 . 1 1 183 183 GLN N N 183 116.269 116.269 118.229 -1.960 19413 4312 1 5 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.018 -0.033 19413 4313 1 5 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.815 0.468 19413 4314 1 5 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.649 0.674 19413 4315 1 5 . 1 1 183 183 GLN H H 183 8.114 8.114 7.941 0.173 19413 4316 1 5 . 1 1 184 184 LEU N N 184 119.688 119.688 118.600 1.088 19413 4317 1 5 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.992 -0.357 19413 4318 1 5 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.888 0.153 19413 4319 1 5 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.813 0.247 19413 4320 1 5 . 1 1 184 184 LEU H H 184 8.000 8.000 7.665 0.335 19413 4321 1 5 . 1 1 185 185 VAL N N 185 121.017 121.017 116.975 4.042 19413 4322 1 5 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.677 -0.165 19413 4323 1 5 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.272 0.470 19413 4324 1 5 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.846 -0.282 19413 4325 1 5 . 1 1 185 185 VAL H H 185 8.494 8.494 7.384 1.110 19413 4326 1 5 . 1 1 186 186 GLU N N 186 117.535 117.535 115.741 1.794 19413 4327 1 5 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.327 -0.207 19413 4328 1 5 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.083 1.076 19413 4329 1 5 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.896 -0.107 19413 4330 1 5 . 1 1 186 186 GLU H H 186 7.541 7.541 7.668 -0.127 19413 4331 1 5 . 1 1 187 187 LYS N N 187 121.929 121.929 120.843 1.086 19413 4332 1 5 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.513 -0.387 19413 4333 1 5 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.173 2.575 19413 4334 1 5 . 1 1 187 187 LYS CB C 187 32.718 32.718 32.667 0.051 19413 4335 1 5 . 1 1 187 187 LYS H H 187 7.358 7.358 7.275 0.083 19413 4336 1 6 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.682 0.089 19413 4337 1 6 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.693 -0.405 19413 4338 1 6 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.689 0.232 19413 4339 1 6 . 1 1 1 1 ALA N N 1 125.275 125.275 121.921 3.354 19413 4340 1 6 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.202 0.117 19413 4341 1 6 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.336 -0.303 19413 4342 1 6 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.368 1.756 19413 4343 1 6 . 1 1 1 1 ALA H H 1 8.441 8.441 8.208 0.233 19413 4344 1 6 . 1 1 2 2 GLN N N 2 121.120 121.120 118.097 3.023 19413 4345 1 6 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.555 -0.076 19413 4346 1 6 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.482 -0.069 19413 4347 1 6 . 1 1 2 2 GLN CB C 2 29.494 29.494 32.234 -2.740 19413 4348 1 6 . 1 1 2 2 GLN H H 2 8.334 8.334 7.975 0.359 19413 4349 1 6 . 1 1 3 3 ILE N N 3 120.380 120.380 120.761 -0.381 19413 4350 1 6 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.726 -0.315 19413 4351 1 6 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.695 1.098 19413 4352 1 6 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.272 -0.581 19413 4353 1 6 . 1 1 3 3 ILE H H 3 8.197 8.197 8.255 -0.058 19413 4354 1 6 . 1 1 4 4 THR N N 4 120.223 120.223 117.744 2.479 19413 4355 1 6 . 1 1 4 4 THR HA H 4 4.566 4.566 4.527 0.039 19413 4356 1 6 . 1 1 4 4 THR CA C 4 61.500 61.500 61.637 -0.137 19413 4357 1 6 . 1 1 4 4 THR CB C 4 71.727 71.727 70.780 0.947 19413 4358 1 6 . 1 1 4 4 THR H H 4 9.119 9.119 8.258 0.861 19413 4359 1 6 . 1 1 5 5 ASP N N 5 128.193 128.193 125.622 2.571 19413 4360 1 6 . 1 1 5 5 ASP HA H 5 3.146 3.146 2.945 0.201 19413 4361 1 6 . 1 1 5 5 ASP CA C 5 55.349 55.349 55.087 0.262 19413 4362 1 6 . 1 1 5 5 ASP CB C 5 41.001 41.001 41.088 -0.087 19413 4363 1 6 . 1 1 5 5 ASP H H 5 8.510 8.510 8.525 -0.015 19413 4364 1 6 . 1 1 6 6 GLY N N 6 117.400 117.400 114.415 2.985 19413 4365 1 6 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.732 -0.750 19413 4366 1 6 . 1 1 6 6 GLY H H 6 8.608 8.608 8.493 0.115 19413 4367 1 6 . 1 1 7 7 LYS N N 7 122.122 122.122 121.281 0.841 19413 4368 1 6 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.374 0.228 19413 4369 1 6 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.099 -0.435 19413 4370 1 6 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.094 -1.331 19413 4371 1 6 . 1 1 7 7 LYS H H 7 8.131 8.131 7.483 0.648 19413 4372 1 6 . 1 1 8 8 GLN N N 8 115.920 115.920 115.738 0.182 19413 4373 1 6 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.396 -0.267 19413 4374 1 6 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.282 1.785 19413 4375 1 6 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.410 -3.324 19413 4376 1 6 . 1 1 8 8 GLN H H 8 8.548 8.548 7.782 0.766 19413 4377 1 6 . 1 1 9 9 TYR N N 9 112.118 112.118 113.837 -1.719 19413 4378 1 6 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.487 -0.369 19413 4379 1 6 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.529 -0.791 19413 4380 1 6 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.333 -0.156 19413 4381 1 6 . 1 1 9 9 TYR H H 9 7.572 7.572 7.391 0.181 19413 4382 1 6 . 1 1 10 10 ILE N N 10 119.488 119.488 117.649 1.839 19413 4383 1 6 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.700 -0.119 19413 4384 1 6 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.600 0.398 19413 4385 1 6 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.636 0.367 19413 4386 1 6 . 1 1 10 10 ILE H H 10 9.365 9.365 9.223 0.142 19413 4387 1 6 . 1 1 11 11 THR N N 11 126.054 126.054 117.540 8.514 19413 4388 1 6 . 1 1 11 11 THR HA H 11 4.837 4.837 5.129 -0.292 19413 4389 1 6 . 1 1 11 11 THR CA C 11 63.376 63.376 61.105 2.272 19413 4390 1 6 . 1 1 11 11 THR CB C 11 68.487 68.487 70.832 -2.345 19413 4391 1 6 . 1 1 11 11 THR H H 11 9.153 9.153 8.089 1.064 19413 4392 1 6 . 1 1 12 12 LEU N N 12 129.370 129.370 123.957 5.413 19413 4393 1 6 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.504 -0.255 19413 4394 1 6 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.681 0.605 19413 4395 1 6 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.439 -0.933 19413 4396 1 6 . 1 1 12 12 LEU H H 12 8.636 8.636 8.080 0.556 19413 4397 1 6 . 1 1 13 13 ASP N N 13 122.179 122.179 121.486 0.693 19413 4398 1 6 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.513 -0.075 19413 4399 1 6 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.820 -0.096 19413 4400 1 6 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.325 -0.440 19413 4401 1 6 . 1 1 13 13 ASP H H 13 8.494 8.494 8.392 0.102 19413 4402 1 6 . 1 1 14 14 LYS N N 14 119.361 119.361 120.389 -1.028 19413 4403 1 6 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.642 0.120 19413 4404 1 6 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.799 -1.312 19413 4405 1 6 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.944 -1.041 19413 4406 1 6 . 1 1 14 14 LYS H H 14 7.714 7.714 8.083 -0.369 19413 4407 1 6 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.344 0.259 19413 4408 1 6 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.859 -0.598 19413 4409 1 6 . 1 1 15 15 PRO CB C 15 32.697 32.697 32.330 0.367 19413 4410 1 6 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.273 0.089 19413 4411 1 6 . 1 1 16 16 ILE CA C 16 58.576 58.576 59.395 -0.819 19413 4412 1 6 . 1 1 16 16 ILE CB C 16 38.242 38.242 41.077 -2.835 19413 4413 1 6 . 1 1 17 17 ALA N N 17 130.287 130.287 127.005 3.282 19413 4414 1 6 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.513 -0.165 19413 4415 1 6 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.234 0.417 19413 4416 1 6 . 1 1 17 17 ALA CB C 17 19.344 19.344 19.183 0.161 19413 4417 1 6 . 1 1 17 17 ALA H H 17 8.396 8.396 8.283 0.113 19413 4418 1 6 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.824 0.394 19413 4419 1 6 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.538 -0.137 19413 4420 1 6 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.376 1.016 19413 4421 1 6 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.658 -0.981 19413 4422 1 6 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.608 0.430 19413 4423 1 6 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.547 -1.581 19413 4424 1 6 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.192 -0.079 19413 4425 1 6 . 1 1 24 24 GLU N N 24 127.720 127.720 119.040 8.680 19413 4426 1 6 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.135 0.470 19413 4427 1 6 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.343 -1.905 19413 4428 1 6 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.287 1.417 19413 4429 1 6 . 1 1 24 24 GLU H H 24 8.973 8.973 8.176 0.797 19413 4430 1 6 . 1 1 25 25 PHE N N 25 121.108 121.108 122.383 -1.275 19413 4431 1 6 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.779 0.287 19413 4432 1 6 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.418 -0.473 19413 4433 1 6 . 1 1 25 25 PHE CB C 25 44.006 44.006 41.898 2.108 19413 4434 1 6 . 1 1 25 25 PHE H H 25 9.266 9.266 9.040 0.226 19413 4435 1 6 . 1 1 26 26 PHE N N 26 120.125 120.125 119.875 0.250 19413 4436 1 6 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.971 -0.190 19413 4437 1 6 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.030 -1.192 19413 4438 1 6 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.727 1.877 19413 4439 1 6 . 1 1 26 26 PHE H H 26 8.957 8.957 7.891 1.066 19413 4440 1 6 . 1 1 27 27 SER N N 27 109.643 109.643 112.441 -2.798 19413 4441 1 6 . 1 1 27 27 SER HA H 27 3.584 3.584 3.719 -0.135 19413 4442 1 6 . 1 1 27 27 SER CA C 27 54.556 54.556 55.098 -0.542 19413 4443 1 6 . 1 1 27 27 SER CB C 27 64.711 64.711 65.315 -0.604 19413 4444 1 6 . 1 1 27 27 SER H H 27 6.543 6.543 8.120 -1.577 19413 4445 1 6 . 1 1 28 28 PHE N N 28 132.096 132.096 119.816 12.280 19413 4446 1 6 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.094 0.273 19413 4447 1 6 . 1 1 28 28 PHE CA C 28 62.530 62.530 59.139 3.391 19413 4448 1 6 . 1 1 28 28 PHE CB C 28 38.643 38.643 39.426 -0.783 19413 4449 1 6 . 1 1 28 28 PHE H H 28 11.199 11.199 8.493 2.706 19413 4450 1 6 . 1 1 29 29 TYR N N 29 115.582 115.582 116.323 -0.741 19413 4451 1 6 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.563 -0.194 19413 4452 1 6 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.492 1.353 19413 4453 1 6 . 1 1 29 29 TYR CB C 29 39.781 39.781 37.470 2.311 19413 4454 1 6 . 1 1 29 29 TYR H H 29 8.619 8.619 8.015 0.604 19413 4455 1 6 . 1 1 30 30 CYS N N 30 121.025 121.025 117.354 3.671 19413 4456 1 6 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.856 0.150 19413 4457 1 6 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.398 -2.938 19413 4458 1 6 . 1 1 30 30 CYS CB C 30 46.378 46.378 28.871 17.507 19413 4459 1 6 . 1 1 30 30 CYS H H 30 7.284 7.284 8.086 -0.802 19413 4460 1 6 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.813 0.264 19413 4461 1 6 . 1 1 31 31 PRO CA C 31 65.973 65.973 65.127 0.846 19413 4462 1 6 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.389 -0.180 19413 4463 1 6 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.170 0.434 19413 4464 1 6 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.193 -1.746 19413 4465 1 6 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.662 1.392 19413 4466 1 6 . 1 1 33 33 CYS N N 33 117.365 117.365 117.140 0.225 19413 4467 1 6 . 1 1 33 33 CYS HA H 33 4.539 4.539 3.982 0.557 19413 4468 1 6 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.398 0.795 19413 4469 1 6 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.847 7.996 19413 4470 1 6 . 1 1 33 33 CYS H H 33 8.921 8.921 8.649 0.272 19413 4471 1 6 . 1 1 34 34 TYR N N 34 123.491 123.491 120.555 2.936 19413 4472 1 6 . 1 1 34 34 TYR HA H 34 2.762 2.762 3.804 -1.042 19413 4473 1 6 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.181 -1.748 19413 4474 1 6 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.409 -0.924 19413 4475 1 6 . 1 1 34 34 TYR H H 34 7.650 7.650 7.750 -0.100 19413 4476 1 6 . 1 1 35 35 GLN N N 35 118.639 118.639 117.304 1.335 19413 4477 1 6 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.883 -0.171 19413 4478 1 6 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.817 -0.407 19413 4479 1 6 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.173 -0.240 19413 4480 1 6 . 1 1 35 35 GLN H H 35 7.641 7.641 8.000 -0.359 19413 4481 1 6 . 1 1 36 36 PHE N N 36 121.254 121.254 116.383 4.871 19413 4482 1 6 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.170 -0.140 19413 4483 1 6 . 1 1 36 36 PHE CA C 36 60.801 60.801 59.918 0.883 19413 4484 1 6 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.455 0.464 19413 4485 1 6 . 1 1 36 36 PHE H H 36 8.721 8.721 8.738 -0.017 19413 4486 1 6 . 1 1 37 37 GLU N N 37 116.279 116.279 115.039 1.240 19413 4487 1 6 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.252 0.075 19413 4488 1 6 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.407 2.377 19413 4489 1 6 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.453 0.403 19413 4490 1 6 . 1 1 37 37 GLU H H 37 7.705 7.705 7.349 0.356 19413 4491 1 6 . 1 1 38 38 GLU N N 38 112.285 112.285 115.953 -3.668 19413 4492 1 6 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.993 0.013 19413 4493 1 6 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.466 -0.888 19413 4494 1 6 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.946 -2.163 19413 4495 1 6 . 1 1 38 38 GLU H H 38 7.870 7.870 7.809 0.061 19413 4496 1 6 . 1 1 39 39 VAL N N 39 117.365 117.365 118.609 -1.244 19413 4497 1 6 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.022 -0.014 19413 4498 1 6 . 1 1 39 39 VAL CA C 39 63.965 63.965 62.590 1.375 19413 4499 1 6 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.682 -0.322 19413 4500 1 6 . 1 1 39 39 VAL H H 39 6.850 6.850 7.586 -0.736 19413 4501 1 6 . 1 1 40 40 LEU N N 40 116.098 116.098 117.789 -1.691 19413 4502 1 6 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.020 0.073 19413 4503 1 6 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.891 -0.792 19413 4504 1 6 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.084 1.028 19413 4505 1 6 . 1 1 40 40 LEU H H 40 8.171 8.171 7.892 0.279 19413 4506 1 6 . 1 1 41 41 HIS N N 41 111.930 111.930 115.164 -3.234 19413 4507 1 6 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.383 0.122 19413 4508 1 6 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.801 -1.335 19413 4509 1 6 . 1 1 41 41 HIS CB C 41 25.603 25.603 27.078 -1.475 19413 4510 1 6 . 1 1 41 41 HIS H H 41 6.459 6.459 7.308 -0.849 19413 4511 1 6 . 1 1 42 42 VAL N N 42 120.465 120.465 120.665 -0.200 19413 4512 1 6 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.531 -0.503 19413 4513 1 6 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.715 1.257 19413 4514 1 6 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.832 0.054 19413 4515 1 6 . 1 1 42 42 VAL H H 42 8.621 8.621 8.318 0.303 19413 4516 1 6 . 1 1 43 43 SER N N 43 113.968 113.968 115.311 -1.343 19413 4517 1 6 . 1 1 43 43 SER HA H 43 4.002 4.002 4.079 -0.077 19413 4518 1 6 . 1 1 43 43 SER CA C 43 61.242 61.242 62.234 -0.992 19413 4519 1 6 . 1 1 43 43 SER CB C 43 62.565 62.565 62.673 -0.108 19413 4520 1 6 . 1 1 43 43 SER H H 43 8.040 8.040 7.956 0.084 19413 4521 1 6 . 1 1 44 44 ASP N N 44 121.731 121.731 121.544 0.187 19413 4522 1 6 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.461 -0.047 19413 4523 1 6 . 1 1 44 44 ASP CA C 44 57.232 57.232 56.987 0.245 19413 4524 1 6 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.702 0.330 19413 4525 1 6 . 1 1 44 44 ASP H H 44 8.215 8.215 8.459 -0.244 19413 4526 1 6 . 1 1 45 45 ASN N N 45 118.906 118.906 118.587 0.319 19413 4527 1 6 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.461 -0.189 19413 4528 1 6 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.282 1.040 19413 4529 1 6 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.767 0.860 19413 4530 1 6 . 1 1 45 45 ASN H H 45 7.860 7.860 7.696 0.164 19413 4531 1 6 . 1 1 46 46 VAL N N 46 119.934 119.934 118.431 1.503 19413 4532 1 6 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.714 -0.249 19413 4533 1 6 . 1 1 46 46 VAL CA C 46 66.801 66.801 65.552 1.249 19413 4534 1 6 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.140 0.209 19413 4535 1 6 . 1 1 46 46 VAL H H 46 8.583 8.583 8.229 0.354 19413 4536 1 6 . 1 1 47 47 ARG N N 47 119.655 119.655 120.619 -0.964 19413 4537 1 6 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.982 -0.161 19413 4538 1 6 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.407 0.395 19413 4539 1 6 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.919 0.419 19413 4540 1 6 . 1 1 47 47 ARG H H 47 8.522 8.522 8.010 0.512 19413 4541 1 6 . 1 1 48 48 GLN N N 48 115.072 115.072 117.066 -1.994 19413 4542 1 6 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.185 -0.067 19413 4543 1 6 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.007 -0.278 19413 4544 1 6 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.647 0.363 19413 4545 1 6 . 1 1 48 48 GLN H H 48 7.605 7.605 7.743 -0.138 19413 4546 1 6 . 1 1 49 49 LYS N N 49 116.858 116.858 115.977 0.881 19413 4547 1 6 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.499 -0.077 19413 4548 1 6 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.779 -0.974 19413 4549 1 6 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.354 -0.706 19413 4550 1 6 . 1 1 49 49 LYS H H 49 7.460 7.460 8.017 -0.557 19413 4551 1 6 . 1 1 50 50 LEU N N 50 119.786 119.786 123.076 -3.290 19413 4552 1 6 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.308 0.091 19413 4553 1 6 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.511 -0.583 19413 4554 1 6 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.814 -0.860 19413 4555 1 6 . 1 1 50 50 LEU H H 50 7.215 7.215 7.413 -0.198 19413 4556 1 6 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.530 -0.054 19413 4557 1 6 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.219 0.053 19413 4558 1 6 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.595 -1.141 19413 4559 1 6 . 1 1 52 52 GLU N N 52 126.400 126.400 121.621 4.779 19413 4560 1 6 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.222 -0.122 19413 4561 1 6 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.617 1.498 19413 4562 1 6 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.804 0.532 19413 4563 1 6 . 1 1 52 52 GLU H H 52 8.935 8.935 8.720 0.215 19413 4564 1 6 . 1 1 53 53 GLY N N 53 113.671 113.671 112.966 0.705 19413 4565 1 6 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.680 -0.834 19413 4566 1 6 . 1 1 53 53 GLY H H 53 8.948 8.948 8.363 0.585 19413 4567 1 6 . 1 1 54 54 THR N N 54 118.129 118.129 117.269 0.860 19413 4568 1 6 . 1 1 54 54 THR HA H 54 4.161 4.161 4.001 0.160 19413 4569 1 6 . 1 1 54 54 THR CA C 54 63.707 63.707 64.529 -0.823 19413 4570 1 6 . 1 1 54 54 THR CB C 54 68.784 68.784 68.866 -0.082 19413 4571 1 6 . 1 1 54 54 THR H H 54 7.696 7.696 7.625 0.071 19413 4572 1 6 . 1 1 55 55 LYS N N 55 129.892 129.892 120.011 9.881 19413 4573 1 6 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.089 0.286 19413 4574 1 6 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.967 -1.132 19413 4575 1 6 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.429 1.019 19413 4576 1 6 . 1 1 55 55 LYS H H 55 8.757 8.757 8.375 0.382 19413 4577 1 6 . 1 1 56 56 MET N N 56 125.391 125.391 124.768 0.623 19413 4578 1 6 . 1 1 56 56 MET HA H 56 5.258 5.258 4.307 0.951 19413 4579 1 6 . 1 1 56 56 MET CA C 56 54.436 54.436 57.059 -2.623 19413 4580 1 6 . 1 1 56 56 MET CB C 56 34.394 34.394 33.169 1.225 19413 4581 1 6 . 1 1 56 56 MET H H 56 8.512 8.512 8.621 -0.109 19413 4582 1 6 . 1 1 57 57 THR N N 57 124.711 124.711 119.936 4.775 19413 4583 1 6 . 1 1 57 57 THR HA H 57 4.390 4.390 4.703 -0.313 19413 4584 1 6 . 1 1 57 57 THR CA C 57 61.942 61.942 60.969 0.973 19413 4585 1 6 . 1 1 57 57 THR CB C 57 70.952 70.952 71.606 -0.654 19413 4586 1 6 . 1 1 57 57 THR H H 57 8.830 8.830 8.111 0.719 19413 4587 1 6 . 1 1 58 58 LYS N N 58 126.113 126.113 120.651 5.462 19413 4588 1 6 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.968 0.314 19413 4589 1 6 . 1 1 58 58 LYS CA C 58 54.501 54.501 56.328 -1.827 19413 4590 1 6 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.576 0.841 19413 4591 1 6 . 1 1 58 58 LYS H H 58 8.739 8.739 8.696 0.043 19413 4592 1 6 . 1 1 59 59 TYR N N 59 127.472 127.472 124.136 3.336 19413 4593 1 6 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.823 0.803 19413 4594 1 6 . 1 1 59 59 TYR CA C 59 51.825 51.825 56.214 -4.389 19413 4595 1 6 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.803 -0.118 19413 4596 1 6 . 1 1 59 59 TYR H H 59 9.524 9.524 8.794 0.730 19413 4597 1 6 . 1 1 60 60 HIS N N 60 123.656 123.656 121.024 2.632 19413 4598 1 6 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.743 -0.359 19413 4599 1 6 . 1 1 60 60 HIS CA C 60 55.467 55.467 55.050 0.417 19413 4600 1 6 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.412 -0.593 19413 4601 1 6 . 1 1 60 60 HIS H H 60 9.284 9.284 8.536 0.748 19413 4602 1 6 . 1 1 61 61 VAL N N 61 112.397 112.397 116.372 -3.975 19413 4603 1 6 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.658 0.079 19413 4604 1 6 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.674 -1.595 19413 4605 1 6 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.738 -1.853 19413 4606 1 6 . 1 1 61 61 VAL H H 61 6.262 6.262 7.092 -0.830 19413 4607 1 6 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.513 -0.472 19413 4608 1 6 . 1 1 62 62 GLU CA C 62 56.328 56.328 57.317 -0.989 19413 4609 1 6 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.083 0.669 19413 4610 1 6 . 1 1 63 63 PHE N N 63 111.215 111.215 120.011 -8.796 19413 4611 1 6 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.314 0.257 19413 4612 1 6 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.328 -1.619 19413 4613 1 6 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.928 -2.323 19413 4614 1 6 . 1 1 63 63 PHE H H 63 6.419 6.419 7.647 -1.228 19413 4615 1 6 . 1 1 64 64 LEU N N 64 119.701 119.701 117.379 2.322 19413 4616 1 6 . 1 1 64 64 LEU HA H 64 4.695 4.695 3.325 1.370 19413 4617 1 6 . 1 1 64 64 LEU CA C 64 53.812 53.812 56.331 -2.519 19413 4618 1 6 . 1 1 64 64 LEU CB C 64 44.338 44.338 40.533 3.805 19413 4619 1 6 . 1 1 64 64 LEU H H 64 6.396 6.396 7.044 -0.648 19413 4620 1 6 . 1 1 65 65 GLY N N 65 108.957 108.957 105.745 3.212 19413 4621 1 6 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.464 -0.286 19413 4622 1 6 . 1 1 65 65 GLY H H 65 8.084 8.084 7.872 0.212 19413 4623 1 6 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.218 0.193 19413 4624 1 6 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.705 0.290 19413 4625 1 6 . 1 1 66 66 PRO CB C 66 31.791 31.791 31.950 -0.158 19413 4626 1 6 . 1 1 67 67 LEU N N 67 114.479 114.479 118.605 -4.126 19413 4627 1 6 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.484 0.983 19413 4628 1 6 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.668 -1.775 19413 4629 1 6 . 1 1 67 67 LEU CB C 67 40.438 40.438 41.141 -0.703 19413 4630 1 6 . 1 1 67 67 LEU H H 67 7.484 7.484 8.208 -0.724 19413 4631 1 6 . 1 1 68 68 GLY N N 68 108.957 108.957 109.272 -0.315 19413 4632 1 6 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.438 2.069 19413 4633 1 6 . 1 1 68 68 GLY H H 68 7.659 7.659 7.993 -0.334 19413 4634 1 6 . 1 1 69 69 LYS N N 69 124.459 124.459 121.467 2.992 19413 4635 1 6 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.046 -0.000 19413 4636 1 6 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.770 2.266 19413 4637 1 6 . 1 1 69 69 LYS CB C 69 31.592 31.592 31.957 -0.365 19413 4638 1 6 . 1 1 69 69 LYS H H 69 9.149 9.149 7.893 1.256 19413 4639 1 6 . 1 1 70 70 ASP N N 70 122.631 122.631 119.895 2.736 19413 4640 1 6 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.527 0.188 19413 4641 1 6 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.546 0.349 19413 4642 1 6 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.999 1.158 19413 4643 1 6 . 1 1 70 70 ASP H H 70 8.519 8.519 8.130 0.389 19413 4644 1 6 . 1 1 71 71 LEU N N 71 119.276 119.276 120.193 -0.917 19413 4645 1 6 . 1 1 71 71 LEU HA H 71 4.237 4.237 4.002 0.235 19413 4646 1 6 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.201 -0.924 19413 4647 1 6 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.565 1.512 19413 4648 1 6 . 1 1 71 71 LEU H H 71 9.421 9.421 7.709 1.712 19413 4649 1 6 . 1 1 72 72 THR N N 72 119.204 119.204 114.262 4.942 19413 4650 1 6 . 1 1 72 72 THR HA H 72 4.033 4.033 4.126 -0.093 19413 4651 1 6 . 1 1 72 72 THR CA C 72 67.403 67.403 66.993 0.410 19413 4652 1 6 . 1 1 72 72 THR CB C 72 68.170 68.170 68.490 -0.320 19413 4653 1 6 . 1 1 72 72 THR H H 72 7.762 7.762 8.327 -0.565 19413 4654 1 6 . 1 1 73 73 GLN N N 73 125.845 125.845 121.530 4.315 19413 4655 1 6 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.731 -0.068 19413 4656 1 6 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.686 0.717 19413 4657 1 6 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.120 -2.561 19413 4658 1 6 . 1 1 73 73 GLN H H 73 7.822 7.822 7.670 0.152 19413 4659 1 6 . 1 1 74 74 ALA N N 74 123.013 123.013 122.388 0.625 19413 4660 1 6 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.015 0.118 19413 4661 1 6 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.995 -0.091 19413 4662 1 6 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.174 0.976 19413 4663 1 6 . 1 1 74 74 ALA H H 74 8.966 8.966 8.561 0.405 19413 4664 1 6 . 1 1 75 75 TRP N N 75 120.717 120.717 119.548 1.169 19413 4665 1 6 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.367 0.532 19413 4666 1 6 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.477 -1.405 19413 4667 1 6 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.596 -0.005 19413 4668 1 6 . 1 1 75 75 TRP H H 75 8.932 8.932 8.765 0.167 19413 4669 1 6 . 1 1 76 76 ALA N N 76 119.394 119.394 120.964 -1.570 19413 4670 1 6 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.892 0.083 19413 4671 1 6 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.218 -0.340 19413 4672 1 6 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.059 2.106 19413 4673 1 6 . 1 1 76 76 ALA H H 76 7.650 7.650 7.759 -0.109 19413 4674 1 6 . 1 1 77 77 VAL N N 77 119.658 119.658 119.751 -0.093 19413 4675 1 6 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.600 -0.376 19413 4676 1 6 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.005 0.903 19413 4677 1 6 . 1 1 77 77 VAL CB C 77 30.117 30.117 30.763 -0.646 19413 4678 1 6 . 1 1 77 77 VAL H H 77 8.074 8.074 7.519 0.555 19413 4679 1 6 . 1 1 78 78 ALA N N 78 121.951 121.951 122.729 -0.778 19413 4680 1 6 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.062 -0.038 19413 4681 1 6 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.295 -0.454 19413 4682 1 6 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.018 -0.519 19413 4683 1 6 . 1 1 78 78 ALA H H 78 8.421 8.421 7.618 0.803 19413 4684 1 6 . 1 1 79 79 ILE N N 79 118.384 118.384 118.095 0.289 19413 4685 1 6 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.457 0.159 19413 4686 1 6 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.766 -0.782 19413 4687 1 6 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.917 0.279 19413 4688 1 6 . 1 1 79 79 ILE H H 79 8.122 8.122 8.057 0.065 19413 4689 1 6 . 1 1 80 80 ALA N N 80 124.708 124.708 121.508 3.200 19413 4690 1 6 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.104 -0.126 19413 4691 1 6 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.678 0.237 19413 4692 1 6 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.967 -0.862 19413 4693 1 6 . 1 1 80 80 ALA H H 80 8.694 8.694 7.906 0.788 19413 4694 1 6 . 1 1 81 81 LEU N N 81 114.303 114.303 117.031 -2.728 19413 4695 1 6 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.356 0.024 19413 4696 1 6 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.680 -0.098 19413 4697 1 6 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.348 0.864 19413 4698 1 6 . 1 1 81 81 LEU H H 81 8.469 8.469 8.085 0.384 19413 4699 1 6 . 1 1 82 82 GLY N N 82 112.196 112.196 109.834 2.362 19413 4700 1 6 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.802 1.156 19413 4701 1 6 . 1 1 82 82 GLY H H 82 7.955 7.955 7.486 0.469 19413 4702 1 6 . 1 1 83 83 VAL N N 83 109.426 109.426 114.660 -5.234 19413 4703 1 6 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.525 0.396 19413 4704 1 6 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.479 -1.297 19413 4705 1 6 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.434 -0.993 19413 4706 1 6 . 1 1 83 83 VAL H H 83 8.267 8.267 8.076 0.191 19413 4707 1 6 . 1 1 84 84 GLU N N 84 127.081 127.081 123.167 3.914 19413 4708 1 6 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.629 -0.045 19413 4709 1 6 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.986 0.370 19413 4710 1 6 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.866 0.104 19413 4711 1 6 . 1 1 84 84 GLU H H 84 10.566 10.566 8.274 2.292 19413 4712 1 6 . 1 1 85 85 ASP N N 85 117.467 117.467 117.689 -0.222 19413 4713 1 6 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.574 0.013 19413 4714 1 6 . 1 1 85 85 ASP CA C 85 56.279 56.279 57.131 -0.852 19413 4715 1 6 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.226 -0.494 19413 4716 1 6 . 1 1 85 85 ASP H H 85 8.946 8.946 8.919 0.027 19413 4717 1 6 . 1 1 86 86 LYS N N 86 119.121 119.121 117.142 1.979 19413 4718 1 6 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.216 0.203 19413 4719 1 6 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.963 -0.784 19413 4720 1 6 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.114 0.312 19413 4721 1 6 . 1 1 86 86 LYS H H 86 7.745 7.745 7.652 0.093 19413 4722 1 6 . 1 1 87 87 ILE N N 87 108.193 108.193 112.527 -4.334 19413 4723 1 6 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.305 -0.067 19413 4724 1 6 . 1 1 87 87 ILE CA C 87 59.320 59.320 61.874 -2.554 19413 4725 1 6 . 1 1 87 87 ILE CB C 87 40.000 40.000 37.973 2.027 19413 4726 1 6 . 1 1 87 87 ILE H H 87 7.343 7.343 7.506 -0.163 19413 4727 1 6 . 1 1 88 88 THR N N 88 119.455 119.455 118.537 0.918 19413 4728 1 6 . 1 1 88 88 THR HA H 88 4.053 4.053 4.308 -0.255 19413 4729 1 6 . 1 1 88 88 THR CA C 88 69.780 69.780 68.057 1.723 19413 4730 1 6 . 1 1 88 88 THR CB C 88 68.491 68.491 68.467 0.024 19413 4731 1 6 . 1 1 88 88 THR H H 88 7.746 7.746 8.064 -0.318 19413 4732 1 6 . 1 1 89 89 ALA N N 89 123.122 123.122 123.262 -0.140 19413 4733 1 6 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.307 0.293 19413 4734 1 6 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.651 0.640 19413 4735 1 6 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.523 -1.326 19413 4736 1 6 . 1 1 89 89 ALA H H 89 9.125 9.125 8.840 0.285 19413 4737 1 6 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.332 0.084 19413 4738 1 6 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.315 -0.094 19413 4739 1 6 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.353 0.058 19413 4740 1 6 . 1 1 91 91 MET N N 91 119.468 119.468 119.192 0.276 19413 4741 1 6 . 1 1 91 91 MET HA H 91 4.370 4.370 3.880 0.490 19413 4742 1 6 . 1 1 91 91 MET CA C 91 56.901 56.901 59.545 -2.644 19413 4743 1 6 . 1 1 91 91 MET CB C 91 30.059 30.059 32.302 -2.243 19413 4744 1 6 . 1 1 91 91 MET H H 91 8.176 8.176 7.645 0.531 19413 4745 1 6 . 1 1 92 92 PHE N N 92 120.720 120.720 117.815 2.905 19413 4746 1 6 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.308 0.210 19413 4747 1 6 . 1 1 92 92 PHE CA C 92 63.883 63.883 62.097 1.786 19413 4748 1 6 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.622 0.702 19413 4749 1 6 . 1 1 92 92 PHE H H 92 8.650 8.650 8.223 0.427 19413 4750 1 6 . 1 1 93 93 GLU N N 93 117.705 117.705 119.859 -2.154 19413 4751 1 6 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.085 -0.019 19413 4752 1 6 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.880 -0.477 19413 4753 1 6 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.824 -0.182 19413 4754 1 6 . 1 1 93 93 GLU H H 93 8.240 8.240 8.279 -0.039 19413 4755 1 6 . 1 1 94 94 ALA N N 94 123.067 123.067 120.189 2.878 19413 4756 1 6 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.519 -0.068 19413 4757 1 6 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.279 -0.284 19413 4758 1 6 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.295 -0.292 19413 4759 1 6 . 1 1 94 94 ALA H H 94 8.431 8.431 7.522 0.909 19413 4760 1 6 . 1 1 95 95 VAL N N 95 115.582 115.582 115.878 -0.296 19413 4761 1 6 . 1 1 95 95 VAL HA H 95 3.722 3.722 4.002 -0.280 19413 4762 1 6 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.884 0.920 19413 4763 1 6 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.396 -0.657 19413 4764 1 6 . 1 1 95 95 VAL H H 95 8.467 8.467 7.900 0.567 19413 4765 1 6 . 1 1 96 96 GLN N N 96 113.295 113.295 117.272 -3.977 19413 4766 1 6 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.422 0.129 19413 4767 1 6 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.000 1.226 19413 4768 1 6 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.382 0.297 19413 4769 1 6 . 1 1 96 96 GLN H H 96 8.184 8.184 8.161 0.023 19413 4770 1 6 . 1 1 97 97 LYS N N 97 118.621 118.621 120.777 -2.156 19413 4771 1 6 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.119 0.568 19413 4772 1 6 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.849 -1.690 19413 4773 1 6 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.003 -0.461 19413 4774 1 6 . 1 1 97 97 LYS H H 97 8.231 8.231 7.820 0.411 19413 4775 1 6 . 1 1 98 98 THR N N 98 110.486 110.486 107.977 2.509 19413 4776 1 6 . 1 1 98 98 THR HA H 98 4.285 4.285 4.337 -0.052 19413 4777 1 6 . 1 1 98 98 THR CA C 98 62.420 62.420 62.214 0.206 19413 4778 1 6 . 1 1 98 98 THR CB C 98 68.343 68.343 69.866 -1.523 19413 4779 1 6 . 1 1 98 98 THR H H 98 8.612 8.612 8.163 0.449 19413 4780 1 6 . 1 1 99 99 GLN N N 99 115.751 115.751 117.502 -1.751 19413 4781 1 6 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.100 0.085 19413 4782 1 6 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.041 -0.055 19413 4783 1 6 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.298 -0.675 19413 4784 1 6 . 1 1 99 99 GLN H H 99 6.979 6.979 8.208 -1.229 19413 4785 1 6 . 1 1 100 100 THR N N 100 108.660 108.660 113.758 -5.098 19413 4786 1 6 . 1 1 100 100 THR HA H 100 4.350 4.350 4.181 0.169 19413 4787 1 6 . 1 1 100 100 THR CA C 100 61.035 61.035 64.078 -3.043 19413 4788 1 6 . 1 1 100 100 THR CB C 100 68.306 68.306 69.407 -1.101 19413 4789 1 6 . 1 1 100 100 THR H H 100 8.362 8.362 7.905 0.457 19413 4790 1 6 . 1 1 101 101 VAL N N 101 121.417 121.417 122.348 -0.931 19413 4791 1 6 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.819 0.374 19413 4792 1 6 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.350 -2.383 19413 4793 1 6 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.947 0.403 19413 4794 1 6 . 1 1 101 101 VAL H H 101 7.376 7.376 7.976 -0.600 19413 4795 1 6 . 1 1 102 102 GLN N N 102 127.472 127.472 125.883 1.589 19413 4796 1 6 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.634 -0.070 19413 4797 1 6 . 1 1 102 102 GLN CA C 102 55.116 55.116 56.078 -0.962 19413 4798 1 6 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.765 -0.997 19413 4799 1 6 . 1 1 102 102 GLN H H 102 9.583 9.583 8.865 0.718 19413 4800 1 6 . 1 1 103 103 SER N N 103 116.698 116.698 113.830 2.868 19413 4801 1 6 . 1 1 103 103 SER HA H 103 4.883 4.883 4.738 0.145 19413 4802 1 6 . 1 1 103 103 SER CA C 103 56.423 56.423 57.365 -0.942 19413 4803 1 6 . 1 1 103 103 SER CB C 103 66.834 66.834 65.433 1.401 19413 4804 1 6 . 1 1 103 103 SER H H 103 8.539 8.539 8.433 0.106 19413 4805 1 6 . 1 1 104 104 VAL N N 104 120.375 120.375 123.335 -2.960 19413 4806 1 6 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.917 -0.177 19413 4807 1 6 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.148 -0.392 19413 4808 1 6 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.777 -0.848 19413 4809 1 6 . 1 1 104 104 VAL H H 104 8.929 8.929 8.672 0.257 19413 4810 1 6 . 1 1 105 105 ALA N N 105 125.255 125.255 119.989 5.266 19413 4811 1 6 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.007 -0.007 19413 4812 1 6 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.639 0.267 19413 4813 1 6 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.685 0.368 19413 4814 1 6 . 1 1 105 105 ALA H H 105 8.099 8.099 8.358 -0.259 19413 4815 1 6 . 1 1 106 106 ASP N N 106 118.317 118.317 116.759 1.558 19413 4816 1 6 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.636 -0.262 19413 4817 1 6 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.043 0.621 19413 4818 1 6 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.854 0.913 19413 4819 1 6 . 1 1 106 106 ASP H H 106 7.603 7.603 8.067 -0.464 19413 4820 1 6 . 1 1 107 107 ILE N N 107 120.210 120.210 120.181 0.029 19413 4821 1 6 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.920 -0.589 19413 4822 1 6 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.142 1.467 19413 4823 1 6 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.911 -0.021 19413 4824 1 6 . 1 1 107 107 ILE H H 107 7.342 7.342 7.466 -0.124 19413 4825 1 6 . 1 1 108 108 ARG N N 108 119.234 119.234 119.110 0.124 19413 4826 1 6 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.509 -0.712 19413 4827 1 6 . 1 1 108 108 ARG CA C 108 58.656 58.656 59.332 -0.676 19413 4828 1 6 . 1 1 108 108 ARG CB C 108 29.842 29.842 29.085 0.757 19413 4829 1 6 . 1 1 108 108 ARG H H 108 6.677 6.677 8.082 -1.405 19413 4830 1 6 . 1 1 109 109 LYS N N 109 117.662 117.662 119.919 -2.257 19413 4831 1 6 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.974 -0.128 19413 4832 1 6 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.755 -0.536 19413 4833 1 6 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.953 0.021 19413 4834 1 6 . 1 1 109 109 LYS H H 109 7.164 7.164 7.753 -0.589 19413 4835 1 6 . 1 1 110 110 VAL N N 110 118.257 118.257 119.052 -0.795 19413 4836 1 6 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.616 0.025 19413 4837 1 6 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.063 -0.001 19413 4838 1 6 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.373 -0.149 19413 4839 1 6 . 1 1 110 110 VAL H H 110 7.269 7.269 7.555 -0.286 19413 4840 1 6 . 1 1 111 111 PHE N N 111 118.699 118.699 118.606 0.093 19413 4841 1 6 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.088 -0.178 19413 4842 1 6 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.486 -1.006 19413 4843 1 6 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.359 0.064 19413 4844 1 6 . 1 1 111 111 PHE H H 111 7.411 7.411 7.612 -0.201 19413 4845 1 6 . 1 1 112 112 VAL N N 112 121.527 121.527 120.249 1.278 19413 4846 1 6 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.943 0.668 19413 4847 1 6 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.651 -0.932 19413 4848 1 6 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.033 0.338 19413 4849 1 6 . 1 1 112 112 VAL H H 112 8.424 8.424 7.573 0.851 19413 4850 1 6 . 1 1 113 113 ASP N N 113 124.032 124.032 120.793 3.239 19413 4851 1 6 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.350 0.097 19413 4852 1 6 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.202 -0.524 19413 4853 1 6 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.642 -1.362 19413 4854 1 6 . 1 1 113 113 ASP H H 113 9.048 9.048 8.520 0.528 19413 4855 1 6 . 1 1 114 114 ALA N N 114 121.399 121.399 118.772 2.627 19413 4856 1 6 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.234 0.233 19413 4857 1 6 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.856 -0.978 19413 4858 1 6 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.565 -0.952 19413 4859 1 6 . 1 1 114 114 ALA H H 114 7.505 7.505 7.878 -0.373 19413 4860 1 6 . 1 1 115 115 GLY N N 115 105.755 105.755 105.999 -0.244 19413 4861 1 6 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.498 0.605 19413 4862 1 6 . 1 1 115 115 GLY H H 115 7.895 7.895 7.593 0.302 19413 4863 1 6 . 1 1 116 116 VAL N N 116 124.542 124.542 121.513 3.029 19413 4864 1 6 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.288 -0.268 19413 4865 1 6 . 1 1 116 116 VAL CA C 116 61.601 61.601 61.553 0.048 19413 4866 1 6 . 1 1 116 116 VAL CB C 116 31.739 31.739 33.519 -1.780 19413 4867 1 6 . 1 1 116 116 VAL H H 116 8.095 8.095 8.048 0.047 19413 4868 1 6 . 1 1 117 117 LYS N N 117 128.363 128.363 126.704 1.659 19413 4869 1 6 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.282 -0.099 19413 4870 1 6 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.030 0.055 19413 4871 1 6 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.382 -0.570 19413 4872 1 6 . 1 1 117 117 LYS H H 117 9.102 9.102 8.896 0.206 19413 4873 1 6 . 1 1 118 118 GLY N N 118 116.049 116.049 112.575 3.474 19413 4874 1 6 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.859 0.809 19413 4875 1 6 . 1 1 118 118 GLY H H 118 9.300 9.300 9.044 0.256 19413 4876 1 6 . 1 1 119 119 GLU N N 119 118.512 118.512 119.505 -0.993 19413 4877 1 6 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.175 0.051 19413 4878 1 6 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.849 0.674 19413 4879 1 6 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.285 -0.472 19413 4880 1 6 . 1 1 119 119 GLU H H 119 9.501 9.501 8.579 0.922 19413 4881 1 6 . 1 1 120 120 ASP N N 120 121.262 121.262 120.041 1.221 19413 4882 1 6 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.423 0.156 19413 4883 1 6 . 1 1 120 120 ASP CA C 120 56.559 56.559 57.234 -0.675 19413 4884 1 6 . 1 1 120 120 ASP CB C 120 39.632 39.632 40.770 -1.138 19413 4885 1 6 . 1 1 120 120 ASP H H 120 7.088 7.088 7.701 -0.613 19413 4886 1 6 . 1 1 121 121 TYR N N 121 123.619 123.619 120.086 3.533 19413 4887 1 6 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.059 -0.337 19413 4888 1 6 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.202 -0.051 19413 4889 1 6 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.552 -0.550 19413 4890 1 6 . 1 1 121 121 TYR H H 121 7.986 7.986 8.369 -0.383 19413 4891 1 6 . 1 1 122 122 ASP N N 122 119.702 119.702 117.203 2.499 19413 4892 1 6 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.506 -0.252 19413 4893 1 6 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.971 1.151 19413 4894 1 6 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.500 -0.889 19413 4895 1 6 . 1 1 122 122 ASP H H 122 8.812 8.812 8.155 0.657 19413 4896 1 6 . 1 1 123 123 ALA N N 123 121.138 121.138 121.329 -0.191 19413 4897 1 6 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.318 -0.092 19413 4898 1 6 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.174 0.056 19413 4899 1 6 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.233 -1.107 19413 4900 1 6 . 1 1 123 123 ALA H H 123 7.696 7.696 7.487 0.209 19413 4901 1 6 . 1 1 124 124 ALA N N 124 120.299 120.299 122.611 -2.312 19413 4902 1 6 . 1 1 124 124 ALA HA H 124 4.106 4.106 3.994 0.112 19413 4903 1 6 . 1 1 124 124 ALA CA C 124 54.326 54.326 55.231 -0.905 19413 4904 1 6 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.195 0.370 19413 4905 1 6 . 1 1 124 124 ALA H H 124 7.935 7.935 8.471 -0.536 19413 4906 1 6 . 1 1 125 125 TRP N N 125 121.357 121.357 118.046 3.311 19413 4907 1 6 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.225 -0.749 19413 4908 1 6 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.355 1.108 19413 4909 1 6 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.161 -0.784 19413 4910 1 6 . 1 1 125 125 TRP H H 125 8.948 8.948 7.971 0.977 19413 4911 1 6 . 1 1 126 126 ASN N N 126 110.817 110.817 113.782 -2.965 19413 4912 1 6 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.933 -0.090 19413 4913 1 6 . 1 1 126 126 ASN CA C 126 52.522 52.522 53.192 -0.670 19413 4914 1 6 . 1 1 126 126 ASN CB C 126 40.070 40.070 40.414 -0.344 19413 4915 1 6 . 1 1 126 126 ASN H H 126 7.024 7.024 8.036 -1.012 19413 4916 1 6 . 1 1 127 127 SER N N 127 116.650 116.650 116.501 0.149 19413 4917 1 6 . 1 1 127 127 SER HA H 127 4.472 4.472 4.711 -0.239 19413 4918 1 6 . 1 1 127 127 SER CA C 127 58.535 58.535 57.752 0.783 19413 4919 1 6 . 1 1 127 127 SER CB C 127 65.513 65.513 64.623 0.890 19413 4920 1 6 . 1 1 127 127 SER H H 127 7.831 7.831 7.995 -0.164 19413 4921 1 6 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.167 0.111 19413 4922 1 6 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.728 -0.673 19413 4923 1 6 . 1 1 128 128 PHE CB C 128 38.368 38.368 38.929 -0.561 19413 4924 1 6 . 1 1 129 129 VAL N N 129 120.058 120.058 118.033 2.025 19413 4925 1 6 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.784 -0.070 19413 4926 1 6 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.299 -0.627 19413 4927 1 6 . 1 1 129 129 VAL CB C 129 31.778 31.778 30.787 0.991 19413 4928 1 6 . 1 1 129 129 VAL H H 129 8.340 8.340 8.308 0.032 19413 4929 1 6 . 1 1 130 130 VAL N N 130 122.552 122.552 119.033 3.519 19413 4930 1 6 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.574 -0.063 19413 4931 1 6 . 1 1 130 130 VAL CA C 130 66.834 66.834 65.803 1.031 19413 4932 1 6 . 1 1 130 130 VAL CB C 130 31.224 31.224 30.843 0.381 19413 4933 1 6 . 1 1 130 130 VAL H H 130 7.163 7.163 7.574 -0.411 19413 4934 1 6 . 1 1 131 131 LYS N N 131 122.079 122.079 120.394 1.685 19413 4935 1 6 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.716 0.040 19413 4936 1 6 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.639 0.095 19413 4937 1 6 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.371 0.147 19413 4938 1 6 . 1 1 131 131 LYS H H 131 7.852 7.852 7.466 0.386 19413 4939 1 6 . 1 1 132 132 SER N N 132 115.836 115.836 115.981 -0.145 19413 4940 1 6 . 1 1 132 132 SER HA H 132 4.155 4.155 4.097 0.058 19413 4941 1 6 . 1 1 132 132 SER CA C 132 61.022 61.022 61.566 -0.543 19413 4942 1 6 . 1 1 132 132 SER CB C 132 62.309 62.309 63.046 -0.737 19413 4943 1 6 . 1 1 132 132 SER H H 132 8.258 8.258 7.882 0.376 19413 4944 1 6 . 1 1 133 133 LEU N N 133 124.754 124.754 122.292 2.462 19413 4945 1 6 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.931 0.266 19413 4946 1 6 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.642 -0.078 19413 4947 1 6 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.730 2.431 19413 4948 1 6 . 1 1 133 133 LEU H H 133 8.140 8.140 7.449 0.691 19413 4949 1 6 . 1 1 134 134 VAL N N 134 123.461 123.461 120.316 3.145 19413 4950 1 6 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.581 -0.300 19413 4951 1 6 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.436 2.421 19413 4952 1 6 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.373 -0.517 19413 4953 1 6 . 1 1 134 134 VAL H H 134 8.718 8.718 8.357 0.361 19413 4954 1 6 . 1 1 135 135 ALA N N 135 121.739 121.739 121.459 0.280 19413 4955 1 6 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.814 0.350 19413 4956 1 6 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.242 -0.313 19413 4957 1 6 . 1 1 135 135 ALA CB C 135 17.426 17.426 17.953 -0.527 19413 4958 1 6 . 1 1 135 135 ALA H H 135 7.513 7.513 7.948 -0.435 19413 4959 1 6 . 1 1 136 136 GLN N N 136 119.033 119.033 117.751 1.282 19413 4960 1 6 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.935 0.141 19413 4961 1 6 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.796 -0.687 19413 4962 1 6 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.507 0.578 19413 4963 1 6 . 1 1 136 136 GLN H H 136 8.473 8.473 8.506 -0.033 19413 4964 1 6 . 1 1 137 137 GLN N N 137 119.734 119.734 117.481 2.253 19413 4965 1 6 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.457 -0.946 19413 4966 1 6 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.308 1.574 19413 4967 1 6 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.314 2.529 19413 4968 1 6 . 1 1 137 137 GLN H H 137 7.995 7.995 7.799 0.196 19413 4969 1 6 . 1 1 138 138 GLU N N 138 121.309 121.309 121.318 -0.009 19413 4970 1 6 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.056 -0.121 19413 4971 1 6 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.250 -0.273 19413 4972 1 6 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.532 -0.567 19413 4973 1 6 . 1 1 138 138 GLU H H 138 8.291 8.291 8.536 -0.245 19413 4974 1 6 . 1 1 139 139 LYS N N 139 122.121 122.121 119.215 2.906 19413 4975 1 6 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.208 -0.091 19413 4976 1 6 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.778 0.146 19413 4977 1 6 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.928 -0.336 19413 4978 1 6 . 1 1 139 139 LYS H H 139 8.603 8.603 8.149 0.454 19413 4979 1 6 . 1 1 140 140 ALA N N 140 120.286 120.286 120.615 -0.329 19413 4980 1 6 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.310 0.100 19413 4981 1 6 . 1 1 140 140 ALA CA C 140 55.063 55.063 54.172 0.891 19413 4982 1 6 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.758 -0.312 19413 4983 1 6 . 1 1 140 140 ALA H H 140 8.140 8.140 8.256 -0.116 19413 4984 1 6 . 1 1 141 141 ALA N N 141 116.994 116.994 116.677 0.317 19413 4985 1 6 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.386 -0.738 19413 4986 1 6 . 1 1 141 141 ALA CA C 141 54.515 54.515 51.482 3.033 19413 4987 1 6 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.130 -2.129 19413 4988 1 6 . 1 1 141 141 ALA H H 141 7.251 7.251 7.702 -0.451 19413 4989 1 6 . 1 1 142 142 ALA N N 142 121.272 121.272 119.838 1.434 19413 4990 1 6 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.502 -0.318 19413 4991 1 6 . 1 1 142 142 ALA CA C 142 54.657 54.657 51.974 2.683 19413 4992 1 6 . 1 1 142 142 ALA CB C 142 18.217 18.217 20.090 -1.873 19413 4993 1 6 . 1 1 142 142 ALA H H 142 7.940 7.940 7.852 0.088 19413 4994 1 6 . 1 1 143 143 ASP N N 143 121.599 121.599 121.184 0.415 19413 4995 1 6 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.429 -0.093 19413 4996 1 6 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.724 0.251 19413 4997 1 6 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.694 -1.659 19413 4998 1 6 . 1 1 143 143 ASP H H 143 9.272 9.272 8.433 0.839 19413 4999 1 6 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.592 -0.481 19413 5000 1 6 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.920 -1.373 19413 5001 1 6 . 1 1 144 144 LEU CB C 144 41.055 41.055 40.576 0.479 19413 5002 1 6 . 1 1 145 145 GLN N N 145 116.940 116.940 118.879 -1.939 19413 5003 1 6 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.323 -0.571 19413 5004 1 6 . 1 1 145 145 GLN CA C 145 55.823 55.823 55.878 -0.055 19413 5005 1 6 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.055 -2.923 19413 5006 1 6 . 1 1 145 145 GLN H H 145 7.750 7.750 7.949 -0.199 19413 5007 1 6 . 1 1 146 146 LEU N N 146 119.399 119.399 119.045 0.354 19413 5008 1 6 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.457 -0.571 19413 5009 1 6 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.009 1.304 19413 5010 1 6 . 1 1 146 146 LEU CB C 146 43.142 43.142 44.413 -1.271 19413 5011 1 6 . 1 1 146 146 LEU H H 146 7.516 7.516 7.678 -0.162 19413 5012 1 6 . 1 1 147 147 GLN N N 147 123.118 123.118 120.352 2.766 19413 5013 1 6 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.363 -0.216 19413 5014 1 6 . 1 1 147 147 GLN CA C 147 54.867 54.867 54.755 0.112 19413 5015 1 6 . 1 1 147 147 GLN CB C 147 30.525 30.525 30.154 0.371 19413 5016 1 6 . 1 1 147 147 GLN H H 147 8.895 8.895 8.335 0.560 19413 5017 1 6 . 1 1 148 148 GLY N N 148 106.555 106.555 105.249 1.306 19413 5018 1 6 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.353 0.751 19413 5019 1 6 . 1 1 148 148 GLY H H 148 7.275 7.275 7.498 -0.223 19413 5020 1 6 . 1 1 149 149 VAL N N 149 110.030 110.030 115.005 -4.975 19413 5021 1 6 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.470 0.001 19413 5022 1 6 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.879 -1.242 19413 5023 1 6 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.983 1.699 19413 5024 1 6 . 1 1 149 149 VAL H H 149 8.267 8.267 8.209 0.058 19413 5025 1 6 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.865 -0.055 19413 5026 1 6 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.586 -0.442 19413 5027 1 6 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.423 2.503 19413 5028 1 6 . 1 1 151 151 ALA N N 151 123.567 123.567 121.415 2.152 19413 5029 1 6 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.832 0.053 19413 5030 1 6 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.526 0.099 19413 5031 1 6 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.798 2.049 19413 5032 1 6 . 1 1 151 151 ALA H H 151 8.249 8.249 9.006 -0.757 19413 5033 1 6 . 1 1 152 152 MET N N 152 121.866 121.866 121.555 0.311 19413 5034 1 6 . 1 1 152 152 MET HA H 152 5.724 5.724 5.389 0.335 19413 5035 1 6 . 1 1 152 152 MET CA C 152 55.487 55.487 55.210 0.277 19413 5036 1 6 . 1 1 152 152 MET CB C 152 36.830 36.830 36.341 0.489 19413 5037 1 6 . 1 1 152 152 MET H H 152 8.610 8.610 8.582 0.028 19413 5038 1 6 . 1 1 153 153 TYR N N 153 124.782 124.782 124.874 -0.092 19413 5039 1 6 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.240 0.514 19413 5040 1 6 . 1 1 153 153 TYR CA C 153 56.208 56.208 57.512 -1.304 19413 5041 1 6 . 1 1 153 153 TYR CB C 153 42.990 42.990 40.859 2.131 19413 5042 1 6 . 1 1 153 153 TYR H H 153 9.685 9.685 9.190 0.495 19413 5043 1 6 . 1 1 154 154 VAL N N 154 121.914 121.914 119.290 2.624 19413 5044 1 6 . 1 1 154 154 VAL CB C 154 34.660 34.660 34.877 -0.217 19413 5045 1 6 . 1 1 154 154 VAL H H 154 9.441 9.441 8.938 0.503 19413 5046 1 6 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.370 0.369 19413 5047 1 6 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.307 0.166 19413 5048 1 6 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.175 -1.021 19413 5049 1 6 . 1 1 156 156 GLY N N 156 106.059 106.059 103.304 2.755 19413 5050 1 6 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.035 0.151 19413 5051 1 6 . 1 1 156 156 GLY H H 156 9.354 9.354 8.385 0.969 19413 5052 1 6 . 1 1 157 157 LYS N N 157 114.357 114.357 114.476 -0.119 19413 5053 1 6 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.414 0.138 19413 5054 1 6 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.022 0.733 19413 5055 1 6 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.285 2.503 19413 5056 1 6 . 1 1 157 157 LYS H H 157 7.877 7.877 8.025 -0.148 19413 5057 1 6 . 1 1 158 158 TYR N N 158 117.900 117.900 119.282 -1.382 19413 5058 1 6 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.601 0.263 19413 5059 1 6 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.003 -1.147 19413 5060 1 6 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.413 0.466 19413 5061 1 6 . 1 1 158 158 TYR H H 158 7.876 7.876 8.198 -0.322 19413 5062 1 6 . 1 1 159 159 GLN N N 159 125.094 125.094 119.744 5.350 19413 5063 1 6 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.003 -0.250 19413 5064 1 6 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.119 -0.713 19413 5065 1 6 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.429 -1.580 19413 5066 1 6 . 1 1 159 159 GLN H H 159 9.701 9.701 9.024 0.677 19413 5067 1 6 . 1 1 160 160 LEU N N 160 131.941 131.941 124.360 7.581 19413 5068 1 6 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.233 -0.222 19413 5069 1 6 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.480 -1.485 19413 5070 1 6 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.838 -1.763 19413 5071 1 6 . 1 1 160 160 LEU H H 160 8.551 8.551 8.555 -0.004 19413 5072 1 6 . 1 1 161 161 ASN N N 161 118.639 118.639 120.508 -1.869 19413 5073 1 6 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.217 0.279 19413 5074 1 6 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.963 -0.194 19413 5075 1 6 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.100 -0.189 19413 5076 1 6 . 1 1 161 161 ASN H H 161 8.285 8.285 8.466 -0.181 19413 5077 1 6 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.724 0.065 19413 5078 1 6 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.949 -0.175 19413 5079 1 6 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.564 -0.386 19413 5080 1 6 . 1 1 163 163 GLN N N 163 116.006 116.006 119.056 -3.050 19413 5081 1 6 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.388 -0.162 19413 5082 1 6 . 1 1 163 163 GLN CA C 163 57.966 57.966 56.501 1.465 19413 5083 1 6 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.975 -0.999 19413 5084 1 6 . 1 1 163 163 GLN H H 163 8.086 8.086 8.287 -0.201 19413 5085 1 6 . 1 1 164 164 GLY N N 164 107.393 107.393 108.032 -0.639 19413 5086 1 6 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.444 0.159 19413 5087 1 6 . 1 1 164 164 GLY H H 164 8.030 8.030 7.937 0.093 19413 5088 1 6 . 1 1 165 165 MET N N 165 119.802 119.802 118.477 1.325 19413 5089 1 6 . 1 1 165 165 MET HA H 165 4.636 4.636 4.716 -0.080 19413 5090 1 6 . 1 1 165 165 MET CA C 165 54.567 54.567 54.767 -0.200 19413 5091 1 6 . 1 1 165 165 MET CB C 165 34.464 34.464 34.918 -0.454 19413 5092 1 6 . 1 1 165 165 MET H H 165 7.451 7.451 7.530 -0.079 19413 5093 1 6 . 1 1 166 166 ASP N N 166 121.681 121.681 121.232 0.449 19413 5094 1 6 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.561 0.072 19413 5095 1 6 . 1 1 166 166 ASP CA C 166 54.181 54.181 55.481 -1.300 19413 5096 1 6 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.503 -0.850 19413 5097 1 6 . 1 1 166 166 ASP H H 166 8.694 8.694 8.527 0.167 19413 5098 1 6 . 1 1 167 167 THR N N 167 112.609 112.609 118.688 -6.079 19413 5099 1 6 . 1 1 167 167 THR HA H 167 4.224 4.224 4.429 -0.205 19413 5100 1 6 . 1 1 167 167 THR CA C 167 60.340 60.340 60.902 -0.562 19413 5101 1 6 . 1 1 167 167 THR CB C 167 68.416 68.416 68.260 0.156 19413 5102 1 6 . 1 1 167 167 THR H H 167 7.860 7.860 8.068 -0.208 19413 5103 1 6 . 1 1 168 168 SER N N 168 118.936 118.936 117.848 1.088 19413 5104 1 6 . 1 1 168 168 SER HA H 168 4.158 4.158 4.660 -0.502 19413 5105 1 6 . 1 1 168 168 SER CA C 168 60.874 60.874 58.644 2.230 19413 5106 1 6 . 1 1 168 168 SER CB C 168 63.123 63.123 64.502 -1.379 19413 5107 1 6 . 1 1 168 168 SER H H 168 8.739 8.739 8.741 -0.002 19413 5108 1 6 . 1 1 169 169 ASN N N 169 117.875 117.875 119.293 -1.418 19413 5109 1 6 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.869 -0.096 19413 5110 1 6 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.323 -0.975 19413 5111 1 6 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.852 0.840 19413 5112 1 6 . 1 1 169 169 ASN H H 169 7.341 7.341 8.116 -0.775 19413 5113 1 6 . 1 1 170 170 MET N N 170 123.431 123.431 116.467 6.964 19413 5114 1 6 . 1 1 170 170 MET HA H 170 4.600 4.600 3.914 0.686 19413 5115 1 6 . 1 1 170 170 MET CA C 170 57.233 57.233 58.641 -1.408 19413 5116 1 6 . 1 1 170 170 MET CB C 170 32.751 32.751 30.212 2.538 19413 5117 1 6 . 1 1 170 170 MET H H 170 9.186 9.186 8.535 0.651 19413 5118 1 6 . 1 1 171 171 ASP N N 171 120.825 120.825 120.010 0.815 19413 5119 1 6 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.380 0.113 19413 5120 1 6 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.318 0.188 19413 5121 1 6 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.488 -1.700 19413 5122 1 6 . 1 1 171 171 ASP H H 171 8.232 8.232 8.341 -0.109 19413 5123 1 6 . 1 1 172 172 VAL N N 172 122.666 122.666 118.823 3.843 19413 5124 1 6 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.754 0.024 19413 5125 1 6 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.326 0.213 19413 5126 1 6 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.687 0.168 19413 5127 1 6 . 1 1 172 172 VAL H H 172 7.872 7.872 8.157 -0.285 19413 5128 1 6 . 1 1 173 173 PHE N N 173 121.872 121.872 120.295 1.577 19413 5129 1 6 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.393 -0.013 19413 5130 1 6 . 1 1 173 173 PHE CA C 173 61.464 61.464 60.617 0.848 19413 5131 1 6 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.862 0.412 19413 5132 1 6 . 1 1 173 173 PHE H H 173 8.250 8.250 7.797 0.453 19413 5133 1 6 . 1 1 174 174 VAL N N 174 117.535 117.535 118.614 -1.079 19413 5134 1 6 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.394 -0.351 19413 5135 1 6 . 1 1 174 174 VAL CA C 174 66.903 66.903 64.716 2.187 19413 5136 1 6 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.342 1.029 19413 5137 1 6 . 1 1 174 174 VAL H H 174 8.138 8.138 7.510 0.628 19413 5138 1 6 . 1 1 175 175 ALA N N 175 121.129 121.129 123.021 -1.892 19413 5139 1 6 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.988 0.138 19413 5140 1 6 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.018 -0.250 19413 5141 1 6 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.484 -0.469 19413 5142 1 6 . 1 1 175 175 ALA H H 175 7.396 7.396 8.339 -0.943 19413 5143 1 6 . 1 1 176 176 GLN N N 176 120.043 120.043 116.889 3.154 19413 5144 1 6 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.100 -0.021 19413 5145 1 6 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.236 0.726 19413 5146 1 6 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.370 -1.321 19413 5147 1 6 . 1 1 176 176 GLN H H 176 8.721 8.721 7.555 1.166 19413 5148 1 6 . 1 1 177 177 TYR N N 177 127.981 127.981 122.671 5.310 19413 5149 1 6 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.897 -0.306 19413 5150 1 6 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.640 -0.078 19413 5151 1 6 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.008 -0.030 19413 5152 1 6 . 1 1 177 177 TYR H H 177 9.002 9.002 8.383 0.619 19413 5153 1 6 . 1 1 178 178 ALA N N 178 119.796 119.796 118.576 1.220 19413 5154 1 6 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.945 0.085 19413 5155 1 6 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.243 0.162 19413 5156 1 6 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.077 -0.108 19413 5157 1 6 . 1 1 178 178 ALA H H 178 8.392 8.392 8.232 0.160 19413 5158 1 6 . 1 1 179 179 ASP N N 179 117.823 117.823 117.697 0.126 19413 5159 1 6 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.412 0.007 19413 5160 1 6 . 1 1 179 179 ASP CA C 179 57.296 57.296 56.705 0.591 19413 5161 1 6 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.675 1.128 19413 5162 1 6 . 1 1 179 179 ASP H H 179 8.379 8.379 7.588 0.791 19413 5163 1 6 . 1 1 180 180 THR N N 180 117.846 117.846 116.704 1.142 19413 5164 1 6 . 1 1 180 180 THR HA H 180 4.179 4.179 4.084 0.095 19413 5165 1 6 . 1 1 180 180 THR CA C 180 67.378 67.378 66.029 1.349 19413 5166 1 6 . 1 1 180 180 THR CB C 180 67.733 67.733 68.530 -0.797 19413 5167 1 6 . 1 1 180 180 THR H H 180 8.255 8.255 8.034 0.221 19413 5168 1 6 . 1 1 181 181 VAL N N 181 120.101 120.101 120.721 -0.620 19413 5169 1 6 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.410 -0.230 19413 5170 1 6 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.495 1.285 19413 5171 1 6 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.540 -0.609 19413 5172 1 6 . 1 1 181 181 VAL H H 181 7.772 7.772 7.797 -0.025 19413 5173 1 6 . 1 1 182 182 LYS N N 182 119.144 119.144 117.978 1.166 19413 5174 1 6 . 1 1 182 182 LYS HA H 182 3.630 3.630 4.036 -0.406 19413 5175 1 6 . 1 1 182 182 LYS CA C 182 60.361 60.361 58.434 1.927 19413 5176 1 6 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.476 0.804 19413 5177 1 6 . 1 1 182 182 LYS H H 182 7.758 7.758 7.651 0.107 19413 5178 1 6 . 1 1 183 183 GLN N N 183 116.269 116.269 119.638 -3.369 19413 5179 1 6 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.968 0.017 19413 5180 1 6 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.528 0.755 19413 5181 1 6 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.502 0.821 19413 5182 1 6 . 1 1 183 183 GLN H H 183 8.114 8.114 8.273 -0.159 19413 5183 1 6 . 1 1 184 184 LEU N N 184 119.688 119.688 118.229 1.459 19413 5184 1 6 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.784 -0.149 19413 5185 1 6 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.758 0.283 19413 5186 1 6 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.692 0.368 19413 5187 1 6 . 1 1 184 184 LEU H H 184 8.000 8.000 7.506 0.494 19413 5188 1 6 . 1 1 185 185 VAL N N 185 121.017 121.017 115.494 5.523 19413 5189 1 6 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.813 -0.301 19413 5190 1 6 . 1 1 185 185 VAL CA C 185 65.742 65.742 64.645 1.097 19413 5191 1 6 . 1 1 185 185 VAL CB C 185 31.564 31.564 32.195 -0.631 19413 5192 1 6 . 1 1 185 185 VAL H H 185 8.494 8.494 7.444 1.050 19413 5193 1 6 . 1 1 186 186 GLU N N 186 117.535 117.535 115.746 1.789 19413 5194 1 6 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.299 -0.179 19413 5195 1 6 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.718 0.441 19413 5196 1 6 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.021 -0.232 19413 5197 1 6 . 1 1 186 186 GLU H H 186 7.541 7.541 7.564 -0.023 19413 5198 1 6 . 1 1 187 187 LYS N N 187 121.929 121.929 121.016 0.913 19413 5199 1 6 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.365 -0.239 19413 5200 1 6 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.218 2.530 19413 5201 1 6 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.544 1.175 19413 5202 1 6 . 1 1 187 187 LYS H H 187 7.358 7.358 7.231 0.127 19413 5203 1 7 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.357 0.414 19413 5204 1 7 . 1 1 0 0 ASN CA C 0 53.288 53.288 54.019 -0.731 19413 5205 1 7 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.563 0.358 19413 5206 1 7 . 1 1 1 1 ALA N N 1 125.275 125.275 121.355 3.920 19413 5207 1 7 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.864 0.455 19413 5208 1 7 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.566 -1.533 19413 5209 1 7 . 1 1 1 1 ALA CB C 1 19.124 19.124 18.031 1.093 19413 5210 1 7 . 1 1 1 1 ALA H H 1 8.441 8.441 8.761 -0.320 19413 5211 1 7 . 1 1 2 2 GLN N N 2 121.120 121.120 116.582 4.538 19413 5212 1 7 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.556 -0.077 19413 5213 1 7 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.731 -0.318 19413 5214 1 7 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.695 -2.201 19413 5215 1 7 . 1 1 2 2 GLN H H 2 8.334 8.334 8.261 0.073 19413 5216 1 7 . 1 1 3 3 ILE N N 3 120.380 120.380 119.792 0.588 19413 5217 1 7 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.649 -0.238 19413 5218 1 7 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.543 1.250 19413 5219 1 7 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.616 -0.925 19413 5220 1 7 . 1 1 3 3 ILE H H 3 8.197 8.197 8.231 -0.034 19413 5221 1 7 . 1 1 4 4 THR N N 4 120.223 120.223 117.007 3.216 19413 5222 1 7 . 1 1 4 4 THR HA H 4 4.566 4.566 4.741 -0.175 19413 5223 1 7 . 1 1 4 4 THR CA C 4 61.500 61.500 61.688 -0.188 19413 5224 1 7 . 1 1 4 4 THR CB C 4 71.727 71.727 71.879 -0.152 19413 5225 1 7 . 1 1 4 4 THR H H 4 9.119 9.119 8.440 0.679 19413 5226 1 7 . 1 1 5 5 ASP N N 5 128.193 128.193 122.748 5.445 19413 5227 1 7 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.507 -0.361 19413 5228 1 7 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.117 1.232 19413 5229 1 7 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.434 0.568 19413 5230 1 7 . 1 1 5 5 ASP H H 5 8.510 8.510 8.527 -0.017 19413 5231 1 7 . 1 1 6 6 GLY N N 6 117.400 117.400 114.228 3.172 19413 5232 1 7 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.484 -0.502 19413 5233 1 7 . 1 1 6 6 GLY H H 6 8.608 8.608 8.833 -0.225 19413 5234 1 7 . 1 1 7 7 LYS N N 7 122.122 122.122 119.166 2.956 19413 5235 1 7 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.568 0.034 19413 5236 1 7 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.807 -0.143 19413 5237 1 7 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.865 -2.102 19413 5238 1 7 . 1 1 7 7 LYS H H 7 8.131 8.131 7.472 0.659 19413 5239 1 7 . 1 1 8 8 GLN N N 8 115.920 115.920 115.930 -0.010 19413 5240 1 7 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.702 -0.573 19413 5241 1 7 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.261 1.806 19413 5242 1 7 . 1 1 8 8 GLN CB C 8 27.086 27.086 31.410 -4.324 19413 5243 1 7 . 1 1 8 8 GLN H H 8 8.548 8.548 7.683 0.865 19413 5244 1 7 . 1 1 9 9 TYR N N 9 112.118 112.118 113.334 -1.216 19413 5245 1 7 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.366 -0.248 19413 5246 1 7 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.911 -1.173 19413 5247 1 7 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.252 -0.075 19413 5248 1 7 . 1 1 9 9 TYR H H 9 7.572 7.572 7.388 0.184 19413 5249 1 7 . 1 1 10 10 ILE N N 10 119.488 119.488 119.394 0.094 19413 5250 1 7 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.589 -0.008 19413 5251 1 7 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.584 0.414 19413 5252 1 7 . 1 1 10 10 ILE CB C 10 42.003 42.003 42.089 -0.086 19413 5253 1 7 . 1 1 10 10 ILE H H 10 9.365 9.365 8.827 0.538 19413 5254 1 7 . 1 1 11 11 THR N N 11 126.054 126.054 117.686 8.368 19413 5255 1 7 . 1 1 11 11 THR HA H 11 4.837 4.837 4.768 0.069 19413 5256 1 7 . 1 1 11 11 THR CA C 11 63.376 63.376 60.522 2.854 19413 5257 1 7 . 1 1 11 11 THR CB C 11 68.487 68.487 70.025 -1.538 19413 5258 1 7 . 1 1 11 11 THR H H 11 9.153 9.153 8.149 1.004 19413 5259 1 7 . 1 1 12 12 LEU N N 12 129.370 129.370 125.704 3.666 19413 5260 1 7 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.264 -0.015 19413 5261 1 7 . 1 1 12 12 LEU CA C 12 55.286 55.286 55.338 -0.052 19413 5262 1 7 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.363 -0.857 19413 5263 1 7 . 1 1 12 12 LEU H H 12 8.636 8.636 8.330 0.306 19413 5264 1 7 . 1 1 13 13 ASP N N 13 122.179 122.179 120.709 1.470 19413 5265 1 7 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.580 -0.142 19413 5266 1 7 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.605 0.118 19413 5267 1 7 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.385 -0.500 19413 5268 1 7 . 1 1 13 13 ASP H H 13 8.494 8.494 8.431 0.063 19413 5269 1 7 . 1 1 14 14 LYS N N 14 119.361 119.361 119.244 0.117 19413 5270 1 7 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.647 0.115 19413 5271 1 7 . 1 1 14 14 LYS CA C 14 52.487 52.487 54.083 -1.596 19413 5272 1 7 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.360 -0.457 19413 5273 1 7 . 1 1 14 14 LYS H H 14 7.714 7.714 8.013 -0.299 19413 5274 1 7 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.378 0.225 19413 5275 1 7 . 1 1 15 15 PRO CA C 15 62.261 62.261 63.123 -0.862 19413 5276 1 7 . 1 1 15 15 PRO CB C 15 32.697 32.697 29.866 2.831 19413 5277 1 7 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.340 0.022 19413 5278 1 7 . 1 1 16 16 ILE CA C 16 58.576 58.576 61.678 -3.102 19413 5279 1 7 . 1 1 16 16 ILE CB C 16 38.242 38.242 40.156 -1.914 19413 5280 1 7 . 1 1 17 17 ALA N N 17 130.287 130.287 131.043 -0.756 19413 5281 1 7 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.350 -0.002 19413 5282 1 7 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.188 -0.537 19413 5283 1 7 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.897 0.447 19413 5284 1 7 . 1 1 17 17 ALA H H 17 8.396 8.396 8.539 -0.143 19413 5285 1 7 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.440 -0.222 19413 5286 1 7 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.345 0.056 19413 5287 1 7 . 1 1 20 20 PRO CA C 20 63.392 63.392 64.046 -0.654 19413 5288 1 7 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.152 -0.474 19413 5289 1 7 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.537 0.501 19413 5290 1 7 . 1 1 23 23 LEU CA C 23 52.966 52.966 55.190 -2.224 19413 5291 1 7 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.195 -0.082 19413 5292 1 7 . 1 1 24 24 GLU N N 24 127.720 127.720 119.779 7.941 19413 5293 1 7 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.578 0.027 19413 5294 1 7 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.448 -1.010 19413 5295 1 7 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.026 0.678 19413 5296 1 7 . 1 1 24 24 GLU H H 24 8.973 8.973 8.163 0.810 19413 5297 1 7 . 1 1 25 25 PHE N N 25 121.108 121.108 118.314 2.794 19413 5298 1 7 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.859 0.207 19413 5299 1 7 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.043 -1.098 19413 5300 1 7 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.803 0.203 19413 5301 1 7 . 1 1 25 25 PHE H H 25 9.266 9.266 8.883 0.383 19413 5302 1 7 . 1 1 26 26 PHE N N 26 120.125 120.125 119.475 0.650 19413 5303 1 7 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.981 -0.200 19413 5304 1 7 . 1 1 26 26 PHE CA C 26 54.838 54.838 57.171 -2.333 19413 5305 1 7 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.107 2.497 19413 5306 1 7 . 1 1 26 26 PHE H H 26 8.957 8.957 8.394 0.563 19413 5307 1 7 . 1 1 27 27 SER N N 27 109.643 109.643 115.974 -6.331 19413 5308 1 7 . 1 1 27 27 SER HA H 27 3.584 3.584 4.231 -0.647 19413 5309 1 7 . 1 1 27 27 SER CA C 27 54.556 54.556 56.231 -1.675 19413 5310 1 7 . 1 1 27 27 SER CB C 27 64.711 64.711 65.364 -0.653 19413 5311 1 7 . 1 1 27 27 SER H H 27 6.543 6.543 7.913 -1.370 19413 5312 1 7 . 1 1 28 28 PHE N N 28 132.096 132.096 115.449 16.647 19413 5313 1 7 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.095 0.272 19413 5314 1 7 . 1 1 28 28 PHE CA C 28 62.530 62.530 57.857 4.673 19413 5315 1 7 . 1 1 28 28 PHE CB C 28 38.643 38.643 40.053 -1.410 19413 5316 1 7 . 1 1 28 28 PHE H H 28 11.199 11.199 8.742 2.457 19413 5317 1 7 . 1 1 29 29 TYR N N 29 115.582 115.582 117.857 -2.275 19413 5318 1 7 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.635 -0.266 19413 5319 1 7 . 1 1 29 29 TYR CA C 29 59.845 59.845 57.994 1.851 19413 5320 1 7 . 1 1 29 29 TYR CB C 29 39.781 39.781 39.041 0.740 19413 5321 1 7 . 1 1 29 29 TYR H H 29 8.619 8.619 7.567 1.052 19413 5322 1 7 . 1 1 30 30 CYS N N 30 121.025 121.025 118.277 2.748 19413 5323 1 7 . 1 1 30 30 CYS HA H 30 5.006 5.006 5.004 0.002 19413 5324 1 7 . 1 1 30 30 CYS CA C 30 52.459 52.459 54.660 -2.201 19413 5325 1 7 . 1 1 30 30 CYS CB C 30 46.378 46.378 28.142 18.236 19413 5326 1 7 . 1 1 30 30 CYS H H 30 7.284 7.284 7.835 -0.551 19413 5327 1 7 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.229 0.848 19413 5328 1 7 . 1 1 31 31 PRO CA C 31 65.973 65.973 65.432 0.541 19413 5329 1 7 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.159 0.049 19413 5330 1 7 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.317 0.287 19413 5331 1 7 . 1 1 32 32 HIS CA C 32 58.447 58.447 61.055 -2.608 19413 5332 1 7 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.926 1.128 19413 5333 1 7 . 1 1 33 33 CYS N N 33 117.365 117.365 116.175 1.190 19413 5334 1 7 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.268 0.271 19413 5335 1 7 . 1 1 33 33 CYS CA C 33 63.192 63.192 61.021 2.171 19413 5336 1 7 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.067 7.776 19413 5337 1 7 . 1 1 33 33 CYS H H 33 8.921 8.921 8.485 0.436 19413 5338 1 7 . 1 1 34 34 TYR N N 34 123.491 123.491 122.492 0.999 19413 5339 1 7 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.512 -1.750 19413 5340 1 7 . 1 1 34 34 TYR CA C 34 60.433 60.433 61.852 -1.419 19413 5341 1 7 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.753 -1.268 19413 5342 1 7 . 1 1 34 34 TYR H H 34 7.650 7.650 7.605 0.045 19413 5343 1 7 . 1 1 35 35 GLN N N 35 118.639 118.639 117.406 1.233 19413 5344 1 7 . 1 1 35 35 GLN HA H 35 3.712 3.712 4.104 -0.392 19413 5345 1 7 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.563 -0.153 19413 5346 1 7 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.467 -0.534 19413 5347 1 7 . 1 1 35 35 GLN H H 35 7.641 7.641 8.508 -0.867 19413 5348 1 7 . 1 1 36 36 PHE N N 36 121.254 121.254 116.635 4.619 19413 5349 1 7 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.548 -0.517 19413 5350 1 7 . 1 1 36 36 PHE CA C 36 60.801 60.801 57.943 2.858 19413 5351 1 7 . 1 1 36 36 PHE CB C 36 38.919 38.919 39.363 -0.444 19413 5352 1 7 . 1 1 36 36 PHE H H 36 8.721 8.721 7.931 0.790 19413 5353 1 7 . 1 1 37 37 GLU N N 37 116.279 116.279 116.551 -0.272 19413 5354 1 7 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.255 0.072 19413 5355 1 7 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.787 1.997 19413 5356 1 7 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.536 0.320 19413 5357 1 7 . 1 1 37 37 GLU H H 37 7.705 7.705 7.720 -0.015 19413 5358 1 7 . 1 1 38 38 GLU N N 38 112.285 112.285 116.201 -3.916 19413 5359 1 7 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.086 -0.080 19413 5360 1 7 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.761 -1.183 19413 5361 1 7 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.153 -1.370 19413 5362 1 7 . 1 1 38 38 GLU H H 38 7.870 7.870 7.522 0.348 19413 5363 1 7 . 1 1 39 39 VAL N N 39 117.365 117.365 119.358 -1.993 19413 5364 1 7 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.916 0.092 19413 5365 1 7 . 1 1 39 39 VAL CA C 39 63.965 63.965 64.737 -0.772 19413 5366 1 7 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.467 -0.107 19413 5367 1 7 . 1 1 39 39 VAL H H 39 6.850 6.850 7.361 -0.511 19413 5368 1 7 . 1 1 40 40 LEU N N 40 116.098 116.098 115.920 0.178 19413 5369 1 7 . 1 1 40 40 LEU HA H 40 4.093 4.093 3.991 0.102 19413 5370 1 7 . 1 1 40 40 LEU CA C 40 55.099 55.099 56.186 -1.087 19413 5371 1 7 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.027 1.086 19413 5372 1 7 . 1 1 40 40 LEU H H 40 8.171 8.171 7.774 0.397 19413 5373 1 7 . 1 1 41 41 HIS N N 41 111.930 111.930 113.294 -1.364 19413 5374 1 7 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.313 0.193 19413 5375 1 7 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.799 -1.332 19413 5376 1 7 . 1 1 41 41 HIS CB C 41 25.603 25.603 27.266 -1.663 19413 5377 1 7 . 1 1 41 41 HIS H H 41 6.459 6.459 7.488 -1.029 19413 5378 1 7 . 1 1 42 42 VAL N N 42 120.465 120.465 120.839 -0.374 19413 5379 1 7 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.730 -0.702 19413 5380 1 7 . 1 1 42 42 VAL CA C 42 67.972 67.972 65.107 2.865 19413 5381 1 7 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.593 -0.707 19413 5382 1 7 . 1 1 42 42 VAL H H 42 8.621 8.621 7.697 0.924 19413 5383 1 7 . 1 1 43 43 SER N N 43 113.968 113.968 117.441 -3.473 19413 5384 1 7 . 1 1 43 43 SER HA H 43 4.002 4.002 4.025 -0.023 19413 5385 1 7 . 1 1 43 43 SER CA C 43 61.242 61.242 62.378 -1.136 19413 5386 1 7 . 1 1 43 43 SER CB C 43 62.565 62.565 63.029 -0.464 19413 5387 1 7 . 1 1 43 43 SER H H 43 8.040 8.040 7.867 0.173 19413 5388 1 7 . 1 1 44 44 ASP N N 44 121.731 121.731 116.911 4.820 19413 5389 1 7 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.615 -0.201 19413 5390 1 7 . 1 1 44 44 ASP CA C 44 57.232 57.232 54.603 2.629 19413 5391 1 7 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.667 0.365 19413 5392 1 7 . 1 1 44 44 ASP H H 44 8.215 8.215 8.843 -0.628 19413 5393 1 7 . 1 1 45 45 ASN N N 45 118.906 118.906 115.702 3.204 19413 5394 1 7 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.722 -0.450 19413 5395 1 7 . 1 1 45 45 ASN CA C 45 57.322 57.322 54.712 2.610 19413 5396 1 7 . 1 1 45 45 ASN CB C 45 39.627 39.627 40.330 -0.703 19413 5397 1 7 . 1 1 45 45 ASN H H 45 7.860 7.860 7.989 -0.129 19413 5398 1 7 . 1 1 46 46 VAL N N 46 119.934 119.934 119.834 0.100 19413 5399 1 7 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.890 -0.425 19413 5400 1 7 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.080 0.721 19413 5401 1 7 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.925 -0.576 19413 5402 1 7 . 1 1 46 46 VAL H H 46 8.583 8.583 7.901 0.682 19413 5403 1 7 . 1 1 47 47 ARG N N 47 119.655 119.655 120.116 -0.461 19413 5404 1 7 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.911 -0.090 19413 5405 1 7 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.589 0.213 19413 5406 1 7 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.978 0.360 19413 5407 1 7 . 1 1 47 47 ARG H H 47 8.522 8.522 7.504 1.018 19413 5408 1 7 . 1 1 48 48 GLN N N 48 115.072 115.072 117.139 -2.067 19413 5409 1 7 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.198 -0.080 19413 5410 1 7 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.094 -0.365 19413 5411 1 7 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.766 0.244 19413 5412 1 7 . 1 1 48 48 GLN H H 48 7.605 7.605 8.451 -0.846 19413 5413 1 7 . 1 1 49 49 LYS N N 49 116.858 116.858 117.004 -0.146 19413 5414 1 7 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.570 -0.148 19413 5415 1 7 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.617 -0.812 19413 5416 1 7 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.169 0.479 19413 5417 1 7 . 1 1 49 49 LYS H H 49 7.460 7.460 8.038 -0.578 19413 5418 1 7 . 1 1 50 50 LEU N N 50 119.786 119.786 121.865 -2.079 19413 5419 1 7 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.639 -0.240 19413 5420 1 7 . 1 1 50 50 LEU CA C 50 52.928 52.928 52.051 0.877 19413 5421 1 7 . 1 1 50 50 LEU CB C 50 40.954 40.954 42.582 -1.628 19413 5422 1 7 . 1 1 50 50 LEU H H 50 7.215 7.215 7.066 0.149 19413 5423 1 7 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.559 -0.083 19413 5424 1 7 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.126 0.146 19413 5425 1 7 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.375 -0.921 19413 5426 1 7 . 1 1 52 52 GLU N N 52 126.400 126.400 119.848 6.552 19413 5427 1 7 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.231 -0.131 19413 5428 1 7 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.612 1.503 19413 5429 1 7 . 1 1 52 52 GLU CB C 52 29.336 29.336 27.513 1.823 19413 5430 1 7 . 1 1 52 52 GLU H H 52 8.935 8.935 8.686 0.249 19413 5431 1 7 . 1 1 53 53 GLY N N 53 113.671 113.671 110.457 3.214 19413 5432 1 7 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.567 -0.721 19413 5433 1 7 . 1 1 53 53 GLY H H 53 8.948 8.948 8.148 0.800 19413 5434 1 7 . 1 1 54 54 THR N N 54 118.129 118.129 115.223 2.906 19413 5435 1 7 . 1 1 54 54 THR HA H 54 4.161 4.161 4.358 -0.197 19413 5436 1 7 . 1 1 54 54 THR CA C 54 63.707 63.707 61.887 1.820 19413 5437 1 7 . 1 1 54 54 THR CB C 54 68.784 68.784 69.409 -0.626 19413 5438 1 7 . 1 1 54 54 THR H H 54 7.696 7.696 7.776 -0.080 19413 5439 1 7 . 1 1 55 55 LYS N N 55 129.892 129.892 120.053 9.839 19413 5440 1 7 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.045 0.330 19413 5441 1 7 . 1 1 55 55 LYS CA C 55 55.835 55.835 57.161 -1.326 19413 5442 1 7 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.687 0.761 19413 5443 1 7 . 1 1 55 55 LYS H H 55 8.757 8.757 8.220 0.537 19413 5444 1 7 . 1 1 56 56 MET N N 56 125.391 125.391 125.588 -0.197 19413 5445 1 7 . 1 1 56 56 MET HA H 56 5.258 5.258 4.428 0.830 19413 5446 1 7 . 1 1 56 56 MET CA C 56 54.436 54.436 56.215 -1.779 19413 5447 1 7 . 1 1 56 56 MET CB C 56 34.394 34.394 32.666 1.728 19413 5448 1 7 . 1 1 56 56 MET H H 56 8.512 8.512 8.583 -0.071 19413 5449 1 7 . 1 1 57 57 THR N N 57 124.711 124.711 120.384 4.327 19413 5450 1 7 . 1 1 57 57 THR HA H 57 4.390 4.390 4.683 -0.293 19413 5451 1 7 . 1 1 57 57 THR CA C 57 61.942 61.942 60.276 1.666 19413 5452 1 7 . 1 1 57 57 THR CB C 57 70.952 70.952 70.811 0.141 19413 5453 1 7 . 1 1 57 57 THR H H 57 8.830 8.830 7.808 1.022 19413 5454 1 7 . 1 1 58 58 LYS N N 58 126.113 126.113 120.461 5.652 19413 5455 1 7 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.683 0.599 19413 5456 1 7 . 1 1 58 58 LYS CA C 58 54.501 54.501 57.086 -2.585 19413 5457 1 7 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.566 0.851 19413 5458 1 7 . 1 1 58 58 LYS H H 58 8.739 8.739 8.514 0.225 19413 5459 1 7 . 1 1 59 59 TYR N N 59 127.472 127.472 124.662 2.810 19413 5460 1 7 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.954 0.672 19413 5461 1 7 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.517 -3.692 19413 5462 1 7 . 1 1 59 59 TYR CB C 59 40.685 40.685 39.336 1.349 19413 5463 1 7 . 1 1 59 59 TYR H H 59 9.524 9.524 9.030 0.494 19413 5464 1 7 . 1 1 60 60 HIS N N 60 123.656 123.656 121.225 2.431 19413 5465 1 7 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.046 0.338 19413 5466 1 7 . 1 1 60 60 HIS CA C 60 55.467 55.467 54.402 1.065 19413 5467 1 7 . 1 1 60 60 HIS CB C 60 30.819 30.819 30.301 0.518 19413 5468 1 7 . 1 1 60 60 HIS H H 60 9.284 9.284 8.505 0.779 19413 5469 1 7 . 1 1 61 61 VAL N N 61 112.397 112.397 113.393 -0.996 19413 5470 1 7 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.427 0.310 19413 5471 1 7 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.877 -1.798 19413 5472 1 7 . 1 1 61 61 VAL CB C 61 33.885 33.885 34.759 -0.874 19413 5473 1 7 . 1 1 61 61 VAL H H 61 6.262 6.262 8.249 -1.987 19413 5474 1 7 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.538 -0.497 19413 5475 1 7 . 1 1 62 62 GLU CA C 62 56.328 56.328 55.316 1.012 19413 5476 1 7 . 1 1 62 62 GLU CB C 62 29.752 29.752 28.153 1.599 19413 5477 1 7 . 1 1 63 63 PHE N N 63 111.215 111.215 121.528 -10.313 19413 5478 1 7 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.592 -0.021 19413 5479 1 7 . 1 1 63 63 PHE CA C 63 57.709 57.709 58.083 -0.374 19413 5480 1 7 . 1 1 63 63 PHE CB C 63 37.605 37.605 40.863 -3.258 19413 5481 1 7 . 1 1 63 63 PHE H H 63 6.419 6.419 8.371 -1.952 19413 5482 1 7 . 1 1 64 64 LEU N N 64 119.701 119.701 119.265 0.436 19413 5483 1 7 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.573 0.122 19413 5484 1 7 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.508 -0.696 19413 5485 1 7 . 1 1 64 64 LEU CB C 64 44.338 44.338 45.423 -1.085 19413 5486 1 7 . 1 1 64 64 LEU H H 64 6.396 6.396 7.539 -1.143 19413 5487 1 7 . 1 1 65 65 GLY N N 65 108.957 108.957 107.185 1.772 19413 5488 1 7 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.702 -0.523 19413 5489 1 7 . 1 1 65 65 GLY H H 65 8.084 8.084 8.128 -0.044 19413 5490 1 7 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.179 0.232 19413 5491 1 7 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.574 0.421 19413 5492 1 7 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.058 -0.267 19413 5493 1 7 . 1 1 67 67 LEU N N 67 114.479 114.479 119.163 -4.684 19413 5494 1 7 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.874 0.593 19413 5495 1 7 . 1 1 67 67 LEU CA C 67 52.893 52.893 53.942 -1.049 19413 5496 1 7 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.632 -0.194 19413 5497 1 7 . 1 1 67 67 LEU H H 67 7.484 7.484 7.728 -0.244 19413 5498 1 7 . 1 1 68 68 GLY N N 68 108.957 108.957 108.960 -0.003 19413 5499 1 7 . 1 1 68 68 GLY CA C 68 49.507 49.507 46.734 2.773 19413 5500 1 7 . 1 1 68 68 GLY H H 68 7.659 7.659 7.820 -0.161 19413 5501 1 7 . 1 1 69 69 LYS N N 69 124.459 124.459 120.182 4.277 19413 5502 1 7 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.315 -0.269 19413 5503 1 7 . 1 1 69 69 LYS CA C 69 61.036 61.036 57.996 3.040 19413 5504 1 7 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.463 -0.871 19413 5505 1 7 . 1 1 69 69 LYS H H 69 9.149 9.149 8.035 1.114 19413 5506 1 7 . 1 1 70 70 ASP N N 70 122.631 122.631 120.730 1.901 19413 5507 1 7 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.569 0.146 19413 5508 1 7 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.018 -0.123 19413 5509 1 7 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.522 1.635 19413 5510 1 7 . 1 1 70 70 ASP H H 70 8.519 8.519 8.312 0.207 19413 5511 1 7 . 1 1 71 71 LEU N N 71 119.276 119.276 119.021 0.255 19413 5512 1 7 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.988 0.249 19413 5513 1 7 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.109 -0.832 19413 5514 1 7 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.158 1.919 19413 5515 1 7 . 1 1 71 71 LEU H H 71 9.421 9.421 7.783 1.638 19413 5516 1 7 . 1 1 72 72 THR N N 72 119.204 119.204 114.655 4.549 19413 5517 1 7 . 1 1 72 72 THR HA H 72 4.033 4.033 3.943 0.090 19413 5518 1 7 . 1 1 72 72 THR CA C 72 67.403 67.403 65.327 2.076 19413 5519 1 7 . 1 1 72 72 THR CB C 72 68.170 68.170 67.679 0.491 19413 5520 1 7 . 1 1 72 72 THR H H 72 7.762 7.762 7.521 0.241 19413 5521 1 7 . 1 1 73 73 GLN N N 73 125.845 125.845 122.539 3.306 19413 5522 1 7 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.681 -0.018 19413 5523 1 7 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.984 0.419 19413 5524 1 7 . 1 1 73 73 GLN CB C 73 25.559 25.559 27.759 -2.200 19413 5525 1 7 . 1 1 73 73 GLN H H 73 7.822 7.822 7.508 0.314 19413 5526 1 7 . 1 1 74 74 ALA N N 74 123.013 123.013 122.134 0.879 19413 5527 1 7 . 1 1 74 74 ALA HA H 74 4.133 4.133 3.874 0.259 19413 5528 1 7 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.002 -0.098 19413 5529 1 7 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.142 1.008 19413 5530 1 7 . 1 1 74 74 ALA H H 74 8.966 8.966 7.462 1.504 19413 5531 1 7 . 1 1 75 75 TRP N N 75 120.717 120.717 119.795 0.922 19413 5532 1 7 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.449 0.450 19413 5533 1 7 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.414 -1.342 19413 5534 1 7 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.777 -0.187 19413 5535 1 7 . 1 1 75 75 TRP H H 75 8.932 8.932 8.391 0.541 19413 5536 1 7 . 1 1 76 76 ALA N N 76 119.394 119.394 120.906 -1.512 19413 5537 1 7 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.837 0.138 19413 5538 1 7 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.188 -0.310 19413 5539 1 7 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.844 2.321 19413 5540 1 7 . 1 1 76 76 ALA H H 76 7.650 7.650 7.926 -0.276 19413 5541 1 7 . 1 1 77 77 VAL N N 77 119.658 119.658 118.402 1.256 19413 5542 1 7 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.649 -0.425 19413 5543 1 7 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.037 0.871 19413 5544 1 7 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.638 -1.521 19413 5545 1 7 . 1 1 77 77 VAL H H 77 8.074 8.074 7.410 0.664 19413 5546 1 7 . 1 1 78 78 ALA N N 78 121.951 121.951 122.757 -0.806 19413 5547 1 7 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.198 -0.174 19413 5548 1 7 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.045 -0.205 19413 5549 1 7 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.134 -0.635 19413 5550 1 7 . 1 1 78 78 ALA H H 78 8.421 8.421 7.850 0.571 19413 5551 1 7 . 1 1 79 79 ILE N N 79 118.384 118.384 117.761 0.623 19413 5552 1 7 . 1 1 79 79 ILE HA H 79 3.616 3.616 4.112 -0.496 19413 5553 1 7 . 1 1 79 79 ILE CA C 79 63.984 63.984 63.718 0.266 19413 5554 1 7 . 1 1 79 79 ILE CB C 79 38.196 38.196 38.055 0.141 19413 5555 1 7 . 1 1 79 79 ILE H H 79 8.122 8.122 7.749 0.373 19413 5556 1 7 . 1 1 80 80 ALA N N 80 124.708 124.708 121.274 3.434 19413 5557 1 7 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.147 -0.169 19413 5558 1 7 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.501 0.414 19413 5559 1 7 . 1 1 80 80 ALA CB C 80 18.105 18.105 19.125 -1.020 19413 5560 1 7 . 1 1 80 80 ALA H H 80 8.694 8.694 8.015 0.679 19413 5561 1 7 . 1 1 81 81 LEU N N 81 114.303 114.303 114.645 -0.342 19413 5562 1 7 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.444 -0.064 19413 5563 1 7 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.415 0.167 19413 5564 1 7 . 1 1 81 81 LEU CB C 81 43.212 43.212 43.127 0.086 19413 5565 1 7 . 1 1 81 81 LEU H H 81 8.469 8.469 7.427 1.042 19413 5566 1 7 . 1 1 82 82 GLY N N 82 112.196 112.196 107.603 4.593 19413 5567 1 7 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.295 1.663 19413 5568 1 7 . 1 1 82 82 GLY H H 82 7.955 7.955 7.887 0.068 19413 5569 1 7 . 1 1 83 83 VAL N N 83 109.426 109.426 112.072 -2.646 19413 5570 1 7 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.468 0.453 19413 5571 1 7 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.736 -1.554 19413 5572 1 7 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.392 -0.951 19413 5573 1 7 . 1 1 83 83 VAL H H 83 8.267 8.267 7.971 0.296 19413 5574 1 7 . 1 1 84 84 GLU N N 84 127.081 127.081 122.809 4.272 19413 5575 1 7 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.751 -0.167 19413 5576 1 7 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.831 0.525 19413 5577 1 7 . 1 1 84 84 GLU CB C 84 28.970 28.970 29.054 -0.084 19413 5578 1 7 . 1 1 84 84 GLU H H 84 10.566 10.566 8.356 2.210 19413 5579 1 7 . 1 1 85 85 ASP N N 85 117.467 117.467 117.360 0.107 19413 5580 1 7 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.461 0.126 19413 5581 1 7 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.739 -0.460 19413 5582 1 7 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.248 -0.516 19413 5583 1 7 . 1 1 85 85 ASP H H 85 8.946 8.946 8.804 0.142 19413 5584 1 7 . 1 1 86 86 LYS N N 86 119.121 119.121 116.539 2.582 19413 5585 1 7 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.224 0.195 19413 5586 1 7 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.634 -0.455 19413 5587 1 7 . 1 1 86 86 LYS CB C 86 33.426 33.426 32.935 0.491 19413 5588 1 7 . 1 1 86 86 LYS H H 86 7.745 7.745 8.001 -0.256 19413 5589 1 7 . 1 1 87 87 ILE N N 87 108.193 108.193 112.079 -3.886 19413 5590 1 7 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.406 -0.168 19413 5591 1 7 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.175 -0.855 19413 5592 1 7 . 1 1 87 87 ILE CB C 87 40.000 40.000 36.815 3.185 19413 5593 1 7 . 1 1 87 87 ILE H H 87 7.343 7.343 7.453 -0.110 19413 5594 1 7 . 1 1 88 88 THR N N 88 119.455 119.455 116.158 3.297 19413 5595 1 7 . 1 1 88 88 THR HA H 88 4.053 4.053 4.734 -0.681 19413 5596 1 7 . 1 1 88 88 THR CA C 88 69.780 69.780 64.069 5.711 19413 5597 1 7 . 1 1 88 88 THR CB C 88 68.491 68.491 70.404 -1.913 19413 5598 1 7 . 1 1 88 88 THR H H 88 7.746 7.746 7.775 -0.029 19413 5599 1 7 . 1 1 89 89 ALA N N 89 123.122 123.122 125.006 -1.884 19413 5600 1 7 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.750 -0.150 19413 5601 1 7 . 1 1 89 89 ALA CA C 89 57.291 57.291 55.679 1.612 19413 5602 1 7 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.854 -1.657 19413 5603 1 7 . 1 1 89 89 ALA H H 89 9.125 9.125 8.601 0.524 19413 5604 1 7 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.404 0.012 19413 5605 1 7 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.156 0.065 19413 5606 1 7 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.384 0.028 19413 5607 1 7 . 1 1 91 91 MET N N 91 119.468 119.468 116.325 3.143 19413 5608 1 7 . 1 1 91 91 MET HA H 91 4.370 4.370 4.362 0.008 19413 5609 1 7 . 1 1 91 91 MET CA C 91 56.901 56.901 57.641 -0.740 19413 5610 1 7 . 1 1 91 91 MET CB C 91 30.059 30.059 31.813 -1.754 19413 5611 1 7 . 1 1 91 91 MET H H 91 8.176 8.176 8.485 -0.309 19413 5612 1 7 . 1 1 92 92 PHE N N 92 120.720 120.720 115.374 5.346 19413 5613 1 7 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.623 -0.105 19413 5614 1 7 . 1 1 92 92 PHE CA C 92 63.883 63.883 59.469 4.414 19413 5615 1 7 . 1 1 92 92 PHE CB C 92 39.324 39.324 40.133 -0.809 19413 5616 1 7 . 1 1 92 92 PHE H H 92 8.650 8.650 7.724 0.926 19413 5617 1 7 . 1 1 93 93 GLU N N 93 117.705 117.705 120.398 -2.693 19413 5618 1 7 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.365 -0.299 19413 5619 1 7 . 1 1 93 93 GLU CA C 93 59.403 59.403 58.460 0.943 19413 5620 1 7 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.834 -0.192 19413 5621 1 7 . 1 1 93 93 GLU H H 93 8.240 8.240 8.042 0.198 19413 5622 1 7 . 1 1 94 94 ALA N N 94 123.067 123.067 119.895 3.172 19413 5623 1 7 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.895 -0.444 19413 5624 1 7 . 1 1 94 94 ALA CA C 94 53.995 53.995 52.474 1.521 19413 5625 1 7 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.804 -0.801 19413 5626 1 7 . 1 1 94 94 ALA H H 94 8.431 8.431 8.082 0.349 19413 5627 1 7 . 1 1 95 95 VAL N N 95 115.582 115.582 116.325 -0.743 19413 5628 1 7 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.939 -0.217 19413 5629 1 7 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.215 1.589 19413 5630 1 7 . 1 1 95 95 VAL CB C 95 31.739 31.739 33.465 -1.726 19413 5631 1 7 . 1 1 95 95 VAL H H 95 8.467 8.467 7.315 1.152 19413 5632 1 7 . 1 1 96 96 GLN N N 96 113.295 113.295 117.428 -4.133 19413 5633 1 7 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.289 0.262 19413 5634 1 7 . 1 1 96 96 GLN CA C 96 58.226 58.226 56.975 1.251 19413 5635 1 7 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.683 0.997 19413 5636 1 7 . 1 1 96 96 GLN H H 96 8.184 8.184 8.139 0.045 19413 5637 1 7 . 1 1 97 97 LYS N N 97 118.621 118.621 120.628 -2.007 19413 5638 1 7 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.153 0.534 19413 5639 1 7 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.811 -1.652 19413 5640 1 7 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.847 -0.305 19413 5641 1 7 . 1 1 97 97 LYS H H 97 8.231 8.231 7.782 0.449 19413 5642 1 7 . 1 1 98 98 THR N N 98 110.486 110.486 107.763 2.723 19413 5643 1 7 . 1 1 98 98 THR HA H 98 4.285 4.285 4.259 0.026 19413 5644 1 7 . 1 1 98 98 THR CA C 98 62.420 62.420 63.039 -0.619 19413 5645 1 7 . 1 1 98 98 THR CB C 98 68.343 68.343 69.883 -1.540 19413 5646 1 7 . 1 1 98 98 THR H H 98 8.612 8.612 7.807 0.805 19413 5647 1 7 . 1 1 99 99 GLN N N 99 115.751 115.751 115.792 -0.041 19413 5648 1 7 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.120 0.065 19413 5649 1 7 . 1 1 99 99 GLN CA C 99 56.986 56.986 56.655 0.331 19413 5650 1 7 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.672 -1.048 19413 5651 1 7 . 1 1 99 99 GLN H H 99 6.979 6.979 8.164 -1.185 19413 5652 1 7 . 1 1 100 100 THR N N 100 108.660 108.660 112.513 -3.853 19413 5653 1 7 . 1 1 100 100 THR HA H 100 4.350 4.350 4.161 0.189 19413 5654 1 7 . 1 1 100 100 THR CA C 100 61.035 61.035 64.165 -3.131 19413 5655 1 7 . 1 1 100 100 THR CB C 100 68.306 68.306 69.203 -0.897 19413 5656 1 7 . 1 1 100 100 THR H H 100 8.362 8.362 7.682 0.680 19413 5657 1 7 . 1 1 101 101 VAL N N 101 121.417 121.417 123.011 -1.594 19413 5658 1 7 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.786 0.407 19413 5659 1 7 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.306 -2.339 19413 5660 1 7 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.459 0.890 19413 5661 1 7 . 1 1 101 101 VAL H H 101 7.376 7.376 8.209 -0.833 19413 5662 1 7 . 1 1 102 102 GLN N N 102 127.472 127.472 126.034 1.438 19413 5663 1 7 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.551 0.013 19413 5664 1 7 . 1 1 102 102 GLN CA C 102 55.116 55.116 56.037 -0.921 19413 5665 1 7 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.887 -1.119 19413 5666 1 7 . 1 1 102 102 GLN H H 102 9.583 9.583 8.428 1.155 19413 5667 1 7 . 1 1 103 103 SER N N 103 116.698 116.698 113.532 3.166 19413 5668 1 7 . 1 1 103 103 SER HA H 103 4.883 4.883 4.772 0.111 19413 5669 1 7 . 1 1 103 103 SER CA C 103 56.423 56.423 56.638 -0.214 19413 5670 1 7 . 1 1 103 103 SER CB C 103 66.834 66.834 65.857 0.977 19413 5671 1 7 . 1 1 103 103 SER H H 103 8.539 8.539 8.139 0.400 19413 5672 1 7 . 1 1 104 104 VAL N N 104 120.375 120.375 121.278 -0.903 19413 5673 1 7 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.638 0.102 19413 5674 1 7 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.228 -0.472 19413 5675 1 7 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.645 -0.716 19413 5676 1 7 . 1 1 104 104 VAL H H 104 8.929 8.929 8.907 0.022 19413 5677 1 7 . 1 1 105 105 ALA N N 105 125.255 125.255 119.816 5.439 19413 5678 1 7 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.219 -0.219 19413 5679 1 7 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.145 0.761 19413 5680 1 7 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.739 0.314 19413 5681 1 7 . 1 1 105 105 ALA H H 105 8.099 8.099 8.197 -0.098 19413 5682 1 7 . 1 1 106 106 ASP N N 106 118.317 118.317 118.460 -0.143 19413 5683 1 7 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.758 -0.383 19413 5684 1 7 . 1 1 106 106 ASP CA C 106 56.664 56.664 55.858 0.806 19413 5685 1 7 . 1 1 106 106 ASP CB C 106 42.767 42.767 42.630 0.137 19413 5686 1 7 . 1 1 106 106 ASP H H 106 7.603 7.603 8.202 -0.599 19413 5687 1 7 . 1 1 107 107 ILE N N 107 120.210 120.210 119.210 1.000 19413 5688 1 7 . 1 1 107 107 ILE HA H 107 3.331 3.331 4.137 -0.806 19413 5689 1 7 . 1 1 107 107 ILE CA C 107 65.609 65.609 63.850 1.759 19413 5690 1 7 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.889 0.001 19413 5691 1 7 . 1 1 107 107 ILE H H 107 7.342 7.342 7.329 0.013 19413 5692 1 7 . 1 1 108 108 ARG N N 108 119.234 119.234 119.792 -0.558 19413 5693 1 7 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.643 -0.846 19413 5694 1 7 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.739 -0.083 19413 5695 1 7 . 1 1 108 108 ARG CB C 108 29.842 29.842 29.009 0.833 19413 5696 1 7 . 1 1 108 108 ARG H H 108 6.677 6.677 7.711 -1.034 19413 5697 1 7 . 1 1 109 109 LYS N N 109 117.662 117.662 120.313 -2.651 19413 5698 1 7 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.997 -0.151 19413 5699 1 7 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.530 -0.311 19413 5700 1 7 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.000 -0.026 19413 5701 1 7 . 1 1 109 109 LYS H H 109 7.164 7.164 7.790 -0.626 19413 5702 1 7 . 1 1 110 110 VAL N N 110 118.257 118.257 118.708 -0.451 19413 5703 1 7 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.649 -0.008 19413 5704 1 7 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.510 -0.449 19413 5705 1 7 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.368 -0.144 19413 5706 1 7 . 1 1 110 110 VAL H H 110 7.269 7.269 7.573 -0.304 19413 5707 1 7 . 1 1 111 111 PHE N N 111 118.699 118.699 117.786 0.913 19413 5708 1 7 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.145 -0.235 19413 5709 1 7 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.308 -0.828 19413 5710 1 7 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.294 0.129 19413 5711 1 7 . 1 1 111 111 PHE H H 111 7.411 7.411 7.565 -0.154 19413 5712 1 7 . 1 1 112 112 VAL N N 112 121.527 121.527 119.338 2.189 19413 5713 1 7 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.998 0.613 19413 5714 1 7 . 1 1 112 112 VAL CA C 112 64.719 64.719 66.035 -1.316 19413 5715 1 7 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.265 0.106 19413 5716 1 7 . 1 1 112 112 VAL H H 112 8.424 8.424 7.560 0.864 19413 5717 1 7 . 1 1 113 113 ASP N N 113 124.032 124.032 121.523 2.509 19413 5718 1 7 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.399 0.048 19413 5719 1 7 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.033 -0.355 19413 5720 1 7 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.725 -1.445 19413 5721 1 7 . 1 1 113 113 ASP H H 113 9.048 9.048 8.526 0.522 19413 5722 1 7 . 1 1 114 114 ALA N N 114 121.399 121.399 118.263 3.136 19413 5723 1 7 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.289 0.178 19413 5724 1 7 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.904 -1.026 19413 5725 1 7 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.941 -1.328 19413 5726 1 7 . 1 1 114 114 ALA H H 114 7.505 7.505 7.569 -0.064 19413 5727 1 7 . 1 1 115 115 GLY N N 115 105.755 105.755 103.602 2.153 19413 5728 1 7 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.658 0.445 19413 5729 1 7 . 1 1 115 115 GLY H H 115 7.895 7.895 7.605 0.290 19413 5730 1 7 . 1 1 116 116 VAL N N 116 124.542 124.542 123.605 0.937 19413 5731 1 7 . 1 1 116 116 VAL HA H 116 4.020 4.020 3.973 0.047 19413 5732 1 7 . 1 1 116 116 VAL CA C 116 61.601 61.601 63.770 -2.169 19413 5733 1 7 . 1 1 116 116 VAL CB C 116 31.739 31.739 32.181 -0.442 19413 5734 1 7 . 1 1 116 116 VAL H H 116 8.095 8.095 7.752 0.343 19413 5735 1 7 . 1 1 117 117 LYS N N 117 128.363 128.363 127.136 1.227 19413 5736 1 7 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.396 -0.212 19413 5737 1 7 . 1 1 117 117 LYS CA C 117 57.085 57.085 56.589 0.496 19413 5738 1 7 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.599 -0.787 19413 5739 1 7 . 1 1 117 117 LYS H H 117 9.102 9.102 8.471 0.631 19413 5740 1 7 . 1 1 118 118 GLY N N 118 116.049 116.049 110.816 5.233 19413 5741 1 7 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.733 0.935 19413 5742 1 7 . 1 1 118 118 GLY H H 118 9.300 9.300 9.053 0.247 19413 5743 1 7 . 1 1 119 119 GLU N N 119 118.512 118.512 117.628 0.884 19413 5744 1 7 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.274 -0.048 19413 5745 1 7 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.068 1.455 19413 5746 1 7 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.466 -0.653 19413 5747 1 7 . 1 1 119 119 GLU H H 119 9.501 9.501 8.325 1.176 19413 5748 1 7 . 1 1 120 120 ASP N N 120 121.262 121.262 119.348 1.914 19413 5749 1 7 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.592 -0.013 19413 5750 1 7 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.083 0.476 19413 5751 1 7 . 1 1 120 120 ASP CB C 120 39.632 39.632 42.502 -2.870 19413 5752 1 7 . 1 1 120 120 ASP H H 120 7.088 7.088 7.676 -0.588 19413 5753 1 7 . 1 1 121 121 TYR N N 121 123.619 123.619 119.717 3.902 19413 5754 1 7 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.348 -0.626 19413 5755 1 7 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.278 0.873 19413 5756 1 7 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.947 -0.945 19413 5757 1 7 . 1 1 121 121 TYR H H 121 7.986 7.986 8.246 -0.260 19413 5758 1 7 . 1 1 122 122 ASP N N 122 119.702 119.702 118.978 0.724 19413 5759 1 7 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.628 -0.374 19413 5760 1 7 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.935 1.187 19413 5761 1 7 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.539 -0.928 19413 5762 1 7 . 1 1 122 122 ASP H H 122 8.812 8.812 8.026 0.786 19413 5763 1 7 . 1 1 123 123 ALA N N 123 121.138 121.138 121.514 -0.376 19413 5764 1 7 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.457 -0.231 19413 5765 1 7 . 1 1 123 123 ALA CA C 123 54.230 54.230 53.105 1.125 19413 5766 1 7 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.418 -1.292 19413 5767 1 7 . 1 1 123 123 ALA H H 123 7.696 7.696 7.387 0.309 19413 5768 1 7 . 1 1 124 124 ALA N N 124 120.299 120.299 122.228 -1.929 19413 5769 1 7 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.021 0.085 19413 5770 1 7 . 1 1 124 124 ALA CA C 124 54.326 54.326 55.355 -1.029 19413 5771 1 7 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.179 0.386 19413 5772 1 7 . 1 1 124 124 ALA H H 124 7.935 7.935 8.176 -0.241 19413 5773 1 7 . 1 1 125 125 TRP N N 125 121.357 121.357 118.971 2.386 19413 5774 1 7 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.214 -0.738 19413 5775 1 7 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.071 1.392 19413 5776 1 7 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.300 -0.923 19413 5777 1 7 . 1 1 125 125 TRP H H 125 8.948 8.948 7.859 1.089 19413 5778 1 7 . 1 1 126 126 ASN N N 126 110.817 110.817 113.354 -2.537 19413 5779 1 7 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.856 -0.013 19413 5780 1 7 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.294 0.228 19413 5781 1 7 . 1 1 126 126 ASN CB C 126 40.070 40.070 38.637 1.433 19413 5782 1 7 . 1 1 126 126 ASN H H 126 7.024 7.024 7.763 -0.739 19413 5783 1 7 . 1 1 127 127 SER N N 127 116.650 116.650 115.495 1.155 19413 5784 1 7 . 1 1 127 127 SER HA H 127 4.472 4.472 4.745 -0.273 19413 5785 1 7 . 1 1 127 127 SER CA C 127 58.535 58.535 57.243 1.292 19413 5786 1 7 . 1 1 127 127 SER CB C 127 65.513 65.513 65.569 -0.056 19413 5787 1 7 . 1 1 127 127 SER H H 127 7.831 7.831 8.176 -0.345 19413 5788 1 7 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.344 -0.066 19413 5789 1 7 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.669 -0.614 19413 5790 1 7 . 1 1 128 128 PHE CB C 128 38.368 38.368 38.760 -0.391 19413 5791 1 7 . 1 1 129 129 VAL N N 129 120.058 120.058 119.049 1.009 19413 5792 1 7 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.806 -0.092 19413 5793 1 7 . 1 1 129 129 VAL CA C 129 65.672 65.672 65.905 -0.233 19413 5794 1 7 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.026 0.751 19413 5795 1 7 . 1 1 129 129 VAL H H 129 8.340 8.340 8.335 0.005 19413 5796 1 7 . 1 1 130 130 VAL N N 130 122.552 122.552 117.940 4.612 19413 5797 1 7 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.522 -0.011 19413 5798 1 7 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.568 0.266 19413 5799 1 7 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.379 -0.155 19413 5800 1 7 . 1 1 130 130 VAL H H 130 7.163 7.163 7.522 -0.359 19413 5801 1 7 . 1 1 131 131 LYS N N 131 122.079 122.079 120.516 1.563 19413 5802 1 7 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.719 0.037 19413 5803 1 7 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.801 -0.067 19413 5804 1 7 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.535 -0.017 19413 5805 1 7 . 1 1 131 131 LYS H H 131 7.852 7.852 7.493 0.359 19413 5806 1 7 . 1 1 132 132 SER N N 132 115.836 115.836 114.772 1.064 19413 5807 1 7 . 1 1 132 132 SER HA H 132 4.155 4.155 4.075 0.080 19413 5808 1 7 . 1 1 132 132 SER CA C 132 61.022 61.022 61.388 -0.366 19413 5809 1 7 . 1 1 132 132 SER CB C 132 62.309 62.309 62.841 -0.532 19413 5810 1 7 . 1 1 132 132 SER H H 132 8.258 8.258 7.989 0.269 19413 5811 1 7 . 1 1 133 133 LEU N N 133 124.754 124.754 122.028 2.726 19413 5812 1 7 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.846 0.351 19413 5813 1 7 . 1 1 133 133 LEU CA C 133 57.564 57.564 58.113 -0.549 19413 5814 1 7 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.971 2.190 19413 5815 1 7 . 1 1 133 133 LEU H H 133 8.140 8.140 7.375 0.765 19413 5816 1 7 . 1 1 134 134 VAL N N 134 123.461 123.461 118.497 4.964 19413 5817 1 7 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.833 -0.552 19413 5818 1 7 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.304 2.553 19413 5819 1 7 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.187 -0.331 19413 5820 1 7 . 1 1 134 134 VAL H H 134 8.718 8.718 8.144 0.574 19413 5821 1 7 . 1 1 135 135 ALA N N 135 121.739 121.739 121.845 -0.106 19413 5822 1 7 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.927 0.237 19413 5823 1 7 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.434 -0.505 19413 5824 1 7 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.189 -0.763 19413 5825 1 7 . 1 1 135 135 ALA H H 135 7.513 7.513 7.907 -0.394 19413 5826 1 7 . 1 1 136 136 GLN N N 136 119.033 119.033 117.586 1.447 19413 5827 1 7 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.982 0.094 19413 5828 1 7 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.306 0.803 19413 5829 1 7 . 1 1 136 136 GLN CB C 136 29.085 29.085 27.859 1.226 19413 5830 1 7 . 1 1 136 136 GLN H H 136 8.473 8.473 7.940 0.533 19413 5831 1 7 . 1 1 137 137 GLN N N 137 119.734 119.734 119.048 0.686 19413 5832 1 7 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.246 -0.734 19413 5833 1 7 . 1 1 137 137 GLN CA C 137 59.882 59.882 59.120 0.762 19413 5834 1 7 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.655 2.188 19413 5835 1 7 . 1 1 137 137 GLN H H 137 7.995 7.995 7.934 0.061 19413 5836 1 7 . 1 1 138 138 GLU N N 138 121.309 121.309 117.806 3.503 19413 5837 1 7 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.122 -0.187 19413 5838 1 7 . 1 1 138 138 GLU CA C 138 58.977 58.977 58.756 0.221 19413 5839 1 7 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.313 -0.348 19413 5840 1 7 . 1 1 138 138 GLU H H 138 8.291 8.291 8.308 -0.017 19413 5841 1 7 . 1 1 139 139 LYS N N 139 122.121 122.121 116.696 5.425 19413 5842 1 7 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.375 -0.258 19413 5843 1 7 . 1 1 139 139 LYS CA C 139 58.924 58.924 56.476 2.448 19413 5844 1 7 . 1 1 139 139 LYS CB C 139 32.592 32.592 33.122 -0.530 19413 5845 1 7 . 1 1 139 139 LYS H H 139 8.603 8.603 7.901 0.702 19413 5846 1 7 . 1 1 140 140 ALA N N 140 120.286 120.286 120.340 -0.054 19413 5847 1 7 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.678 -0.268 19413 5848 1 7 . 1 1 140 140 ALA CA C 140 55.063 55.063 53.277 1.786 19413 5849 1 7 . 1 1 140 140 ALA CB C 140 18.446 18.446 20.036 -1.590 19413 5850 1 7 . 1 1 140 140 ALA H H 140 8.140 8.140 7.686 0.454 19413 5851 1 7 . 1 1 141 141 ALA N N 141 116.994 116.994 119.219 -2.225 19413 5852 1 7 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.380 -0.732 19413 5853 1 7 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.394 2.121 19413 5854 1 7 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.506 -2.505 19413 5855 1 7 . 1 1 141 141 ALA H H 141 7.251 7.251 7.969 -0.718 19413 5856 1 7 . 1 1 142 142 ALA N N 142 121.272 121.272 119.420 1.852 19413 5857 1 7 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.362 -0.178 19413 5858 1 7 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.198 2.459 19413 5859 1 7 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.941 -0.724 19413 5860 1 7 . 1 1 142 142 ALA H H 142 7.940 7.940 8.260 -0.320 19413 5861 1 7 . 1 1 143 143 ASP N N 143 121.599 121.599 119.761 1.838 19413 5862 1 7 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.408 -0.072 19413 5863 1 7 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.024 0.951 19413 5864 1 7 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.090 -1.056 19413 5865 1 7 . 1 1 143 143 ASP H H 143 9.272 9.272 8.598 0.674 19413 5866 1 7 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.548 -0.437 19413 5867 1 7 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.846 -1.300 19413 5868 1 7 . 1 1 144 144 LEU CB C 144 41.055 41.055 40.478 0.577 19413 5869 1 7 . 1 1 145 145 GLN N N 145 116.940 116.940 118.144 -1.204 19413 5870 1 7 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.466 -0.714 19413 5871 1 7 . 1 1 145 145 GLN CA C 145 55.823 55.823 55.702 0.121 19413 5872 1 7 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.964 -3.832 19413 5873 1 7 . 1 1 145 145 GLN H H 145 7.750 7.750 8.315 -0.565 19413 5874 1 7 . 1 1 146 146 LEU N N 146 119.399 119.399 119.020 0.379 19413 5875 1 7 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.439 -0.553 19413 5876 1 7 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.596 0.717 19413 5877 1 7 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.238 -0.096 19413 5878 1 7 . 1 1 146 146 LEU H H 146 7.516 7.516 7.424 0.092 19413 5879 1 7 . 1 1 147 147 GLN N N 147 123.118 123.118 120.646 2.472 19413 5880 1 7 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.327 -0.180 19413 5881 1 7 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.336 -0.469 19413 5882 1 7 . 1 1 147 147 GLN CB C 147 30.525 30.525 29.843 0.682 19413 5883 1 7 . 1 1 147 147 GLN H H 147 8.895 8.895 8.402 0.493 19413 5884 1 7 . 1 1 148 148 GLY N N 148 106.555 106.555 107.635 -1.080 19413 5885 1 7 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.819 0.284 19413 5886 1 7 . 1 1 148 148 GLY H H 148 7.275 7.275 7.694 -0.419 19413 5887 1 7 . 1 1 149 149 VAL N N 149 110.030 110.030 115.494 -5.464 19413 5888 1 7 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.550 -0.079 19413 5889 1 7 . 1 1 149 149 VAL CA C 149 57.637 57.637 59.340 -1.703 19413 5890 1 7 . 1 1 149 149 VAL CB C 149 34.682 34.682 33.368 1.314 19413 5891 1 7 . 1 1 149 149 VAL H H 149 8.267 8.267 8.051 0.216 19413 5892 1 7 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.889 -0.079 19413 5893 1 7 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.504 -0.360 19413 5894 1 7 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.610 2.316 19413 5895 1 7 . 1 1 151 151 ALA N N 151 123.567 123.567 121.085 2.482 19413 5896 1 7 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.613 0.272 19413 5897 1 7 . 1 1 151 151 ALA CA C 151 51.625 51.625 52.371 -0.746 19413 5898 1 7 . 1 1 151 151 ALA CB C 151 24.847 24.847 21.600 3.247 19413 5899 1 7 . 1 1 151 151 ALA H H 151 8.249 8.249 8.632 -0.383 19413 5900 1 7 . 1 1 152 152 MET N N 152 121.866 121.866 125.179 -3.313 19413 5901 1 7 . 1 1 152 152 MET HA H 152 5.724 5.724 4.782 0.942 19413 5902 1 7 . 1 1 152 152 MET CA C 152 55.487 55.487 54.865 0.622 19413 5903 1 7 . 1 1 152 152 MET CB C 152 36.830 36.830 35.066 1.764 19413 5904 1 7 . 1 1 152 152 MET H H 152 8.610 8.610 8.467 0.143 19413 5905 1 7 . 1 1 153 153 TYR N N 153 124.782 124.782 126.140 -1.358 19413 5906 1 7 . 1 1 153 153 TYR HA H 153 5.754 5.754 4.990 0.764 19413 5907 1 7 . 1 1 153 153 TYR CA C 153 56.208 56.208 57.235 -1.027 19413 5908 1 7 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.835 3.155 19413 5909 1 7 . 1 1 153 153 TYR H H 153 9.685 9.685 9.392 0.293 19413 5910 1 7 . 1 1 154 154 VAL N N 154 121.914 121.914 124.870 -2.956 19413 5911 1 7 . 1 1 154 154 VAL CB C 154 34.660 34.660 32.185 2.475 19413 5912 1 7 . 1 1 154 154 VAL H H 154 9.441 9.441 8.010 1.431 19413 5913 1 7 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.333 0.406 19413 5914 1 7 . 1 1 155 155 ASN CA C 155 54.473 54.473 56.679 -2.207 19413 5915 1 7 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.071 -0.917 19413 5916 1 7 . 1 1 156 156 GLY N N 156 106.059 106.059 104.673 1.386 19413 5917 1 7 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.329 0.857 19413 5918 1 7 . 1 1 156 156 GLY H H 156 9.354 9.354 8.705 0.649 19413 5919 1 7 . 1 1 157 157 LYS N N 157 114.357 114.357 119.136 -4.779 19413 5920 1 7 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.522 0.030 19413 5921 1 7 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.164 1.591 19413 5922 1 7 . 1 1 157 157 LYS CB C 157 36.788 36.788 32.534 4.254 19413 5923 1 7 . 1 1 157 157 LYS H H 157 7.877 7.877 7.556 0.322 19413 5924 1 7 . 1 1 158 158 TYR N N 158 117.900 117.900 117.460 0.440 19413 5925 1 7 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.478 0.386 19413 5926 1 7 . 1 1 158 158 TYR CA C 158 54.856 54.856 57.303 -2.446 19413 5927 1 7 . 1 1 158 158 TYR CB C 158 42.879 42.879 43.195 -0.316 19413 5928 1 7 . 1 1 158 158 TYR H H 158 7.876 7.876 7.623 0.253 19413 5929 1 7 . 1 1 159 159 GLN N N 159 125.094 125.094 121.302 3.792 19413 5930 1 7 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.791 -0.038 19413 5931 1 7 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.941 -1.535 19413 5932 1 7 . 1 1 159 159 GLN CB C 159 31.849 31.849 32.746 -0.897 19413 5933 1 7 . 1 1 159 159 GLN H H 159 9.701 9.701 9.158 0.543 19413 5934 1 7 . 1 1 160 160 LEU N N 160 131.941 131.941 127.732 4.209 19413 5935 1 7 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.119 -0.108 19413 5936 1 7 . 1 1 160 160 LEU CA C 160 53.995 53.995 56.081 -2.086 19413 5937 1 7 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.343 -1.268 19413 5938 1 7 . 1 1 160 160 LEU H H 160 8.551 8.551 7.968 0.583 19413 5939 1 7 . 1 1 161 161 ASN N N 161 118.639 118.639 122.838 -4.199 19413 5940 1 7 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.225 0.271 19413 5941 1 7 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.534 -0.765 19413 5942 1 7 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.716 -0.805 19413 5943 1 7 . 1 1 161 161 ASN H H 161 8.285 8.285 8.723 -0.438 19413 5944 1 7 . 1 1 162 162 PRO HA H 162 4.789 4.789 5.027 -0.238 19413 5945 1 7 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.679 0.095 19413 5946 1 7 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.394 -0.216 19413 5947 1 7 . 1 1 163 163 GLN N N 163 116.006 116.006 116.382 -0.376 19413 5948 1 7 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.334 -0.108 19413 5949 1 7 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.770 0.196 19413 5950 1 7 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.784 -0.808 19413 5951 1 7 . 1 1 163 163 GLN H H 163 8.086 8.086 8.349 -0.263 19413 5952 1 7 . 1 1 164 164 GLY N N 164 107.393 107.393 106.677 0.716 19413 5953 1 7 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.628 -0.025 19413 5954 1 7 . 1 1 164 164 GLY H H 164 8.030 8.030 7.773 0.257 19413 5955 1 7 . 1 1 165 165 MET N N 165 119.802 119.802 118.318 1.484 19413 5956 1 7 . 1 1 165 165 MET HA H 165 4.636 4.636 4.517 0.119 19413 5957 1 7 . 1 1 165 165 MET CA C 165 54.567 54.567 56.054 -1.487 19413 5958 1 7 . 1 1 165 165 MET CB C 165 34.464 34.464 34.310 0.154 19413 5959 1 7 . 1 1 165 165 MET H H 165 7.451 7.451 7.451 0.000 19413 5960 1 7 . 1 1 166 166 ASP N N 166 121.681 121.681 120.399 1.282 19413 5961 1 7 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.718 -0.085 19413 5962 1 7 . 1 1 166 166 ASP CA C 166 54.181 54.181 53.894 0.287 19413 5963 1 7 . 1 1 166 166 ASP CB C 166 40.653 40.653 40.126 0.527 19413 5964 1 7 . 1 1 166 166 ASP H H 166 8.694 8.694 8.801 -0.107 19413 5965 1 7 . 1 1 167 167 THR N N 167 112.609 112.609 115.633 -3.024 19413 5966 1 7 . 1 1 167 167 THR HA H 167 4.224 4.224 4.393 -0.169 19413 5967 1 7 . 1 1 167 167 THR CA C 167 60.340 60.340 62.195 -1.855 19413 5968 1 7 . 1 1 167 167 THR CB C 167 68.416 68.416 67.916 0.500 19413 5969 1 7 . 1 1 167 167 THR H H 167 7.860 7.860 7.955 -0.095 19413 5970 1 7 . 1 1 168 168 SER N N 168 118.936 118.936 116.977 1.959 19413 5971 1 7 . 1 1 168 168 SER HA H 168 4.158 4.158 4.587 -0.429 19413 5972 1 7 . 1 1 168 168 SER CA C 168 60.874 60.874 59.050 1.824 19413 5973 1 7 . 1 1 168 168 SER CB C 168 63.123 63.123 63.874 -0.751 19413 5974 1 7 . 1 1 168 168 SER H H 168 8.739 8.739 8.117 0.622 19413 5975 1 7 . 1 1 169 169 ASN N N 169 117.875 117.875 118.549 -0.674 19413 5976 1 7 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.951 -0.178 19413 5977 1 7 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.279 -0.931 19413 5978 1 7 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.696 -0.004 19413 5979 1 7 . 1 1 169 169 ASN H H 169 7.341 7.341 7.770 -0.429 19413 5980 1 7 . 1 1 170 170 MET N N 170 123.431 123.431 116.481 6.950 19413 5981 1 7 . 1 1 170 170 MET HA H 170 4.600 4.600 3.940 0.660 19413 5982 1 7 . 1 1 170 170 MET CA C 170 57.233 57.233 58.343 -1.110 19413 5983 1 7 . 1 1 170 170 MET CB C 170 32.751 32.751 30.157 2.595 19413 5984 1 7 . 1 1 170 170 MET H H 170 9.186 9.186 8.243 0.943 19413 5985 1 7 . 1 1 171 171 ASP N N 171 120.825 120.825 121.478 -0.653 19413 5986 1 7 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.358 0.135 19413 5987 1 7 . 1 1 171 171 ASP CA C 171 57.506 57.506 58.366 -0.860 19413 5988 1 7 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.930 -1.142 19413 5989 1 7 . 1 1 171 171 ASP H H 171 8.232 8.232 8.304 -0.072 19413 5990 1 7 . 1 1 172 172 VAL N N 172 122.666 122.666 119.789 2.877 19413 5991 1 7 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.787 -0.009 19413 5992 1 7 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.586 -0.047 19413 5993 1 7 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.726 0.129 19413 5994 1 7 . 1 1 172 172 VAL H H 172 7.872 7.872 7.839 0.033 19413 5995 1 7 . 1 1 173 173 PHE N N 173 121.872 121.872 121.123 0.749 19413 5996 1 7 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.154 0.226 19413 5997 1 7 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.547 -0.083 19413 5998 1 7 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.785 0.489 19413 5999 1 7 . 1 1 173 173 PHE H H 173 8.250 8.250 7.750 0.500 19413 6000 1 7 . 1 1 174 174 VAL N N 174 117.535 117.535 118.534 -0.999 19413 6001 1 7 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.088 -0.045 19413 6002 1 7 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.963 0.940 19413 6003 1 7 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.262 1.109 19413 6004 1 7 . 1 1 174 174 VAL H H 174 8.138 8.138 7.924 0.214 19413 6005 1 7 . 1 1 175 175 ALA N N 175 121.129 121.129 121.946 -0.817 19413 6006 1 7 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.907 0.219 19413 6007 1 7 . 1 1 175 175 ALA CA C 175 54.768 54.768 54.947 -0.179 19413 6008 1 7 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.387 -0.372 19413 6009 1 7 . 1 1 175 175 ALA H H 175 7.396 7.396 7.625 -0.229 19413 6010 1 7 . 1 1 176 176 GLN N N 176 120.043 120.043 116.757 3.286 19413 6011 1 7 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.098 -0.019 19413 6012 1 7 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.005 0.957 19413 6013 1 7 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.195 -1.146 19413 6014 1 7 . 1 1 176 176 GLN H H 176 8.721 8.721 7.571 1.150 19413 6015 1 7 . 1 1 177 177 TYR N N 177 127.981 127.981 123.054 4.927 19413 6016 1 7 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.924 -0.333 19413 6017 1 7 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.732 -0.170 19413 6018 1 7 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.074 -0.096 19413 6019 1 7 . 1 1 177 177 TYR H H 177 9.002 9.002 8.091 0.911 19413 6020 1 7 . 1 1 178 178 ALA N N 178 119.796 119.796 118.678 1.118 19413 6021 1 7 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.876 0.154 19413 6022 1 7 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.069 0.336 19413 6023 1 7 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.015 -0.046 19413 6024 1 7 . 1 1 178 178 ALA H H 178 8.392 8.392 8.074 0.318 19413 6025 1 7 . 1 1 179 179 ASP N N 179 117.823 117.823 117.631 0.192 19413 6026 1 7 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.334 0.085 19413 6027 1 7 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.611 -0.315 19413 6028 1 7 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.838 0.965 19413 6029 1 7 . 1 1 179 179 ASP H H 179 8.379 8.379 7.788 0.591 19413 6030 1 7 . 1 1 180 180 THR N N 180 117.846 117.846 115.301 2.545 19413 6031 1 7 . 1 1 180 180 THR HA H 180 4.179 4.179 3.994 0.185 19413 6032 1 7 . 1 1 180 180 THR CA C 180 67.378 67.378 65.182 2.196 19413 6033 1 7 . 1 1 180 180 THR CB C 180 67.733 67.733 68.664 -0.931 19413 6034 1 7 . 1 1 180 180 THR H H 180 8.255 8.255 8.015 0.240 19413 6035 1 7 . 1 1 181 181 VAL N N 181 120.101 120.101 120.279 -0.178 19413 6036 1 7 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.408 -0.227 19413 6037 1 7 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.429 1.351 19413 6038 1 7 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.333 -0.402 19413 6039 1 7 . 1 1 181 181 VAL H H 181 7.772 7.772 8.056 -0.284 19413 6040 1 7 . 1 1 182 182 LYS N N 182 119.144 119.144 117.056 2.088 19413 6041 1 7 . 1 1 182 182 LYS HA H 182 3.630 3.630 4.087 -0.457 19413 6042 1 7 . 1 1 182 182 LYS CA C 182 60.361 60.361 58.627 1.734 19413 6043 1 7 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.836 0.444 19413 6044 1 7 . 1 1 182 182 LYS H H 182 7.758 7.758 7.449 0.309 19413 6045 1 7 . 1 1 183 183 GLN N N 183 116.269 116.269 118.054 -1.785 19413 6046 1 7 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.073 -0.088 19413 6047 1 7 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.025 1.258 19413 6048 1 7 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.946 0.377 19413 6049 1 7 . 1 1 183 183 GLN H H 183 8.114 8.114 7.530 0.584 19413 6050 1 7 . 1 1 184 184 LEU N N 184 119.688 119.688 118.659 1.029 19413 6051 1 7 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.761 -0.126 19413 6052 1 7 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.938 0.103 19413 6053 1 7 . 1 1 184 184 LEU CB C 184 42.060 42.060 42.013 0.047 19413 6054 1 7 . 1 1 184 184 LEU H H 184 8.000 8.000 7.352 0.648 19413 6055 1 7 . 1 1 185 185 VAL N N 185 121.017 121.017 118.072 2.945 19413 6056 1 7 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.841 -0.329 19413 6057 1 7 . 1 1 185 185 VAL CA C 185 65.742 65.742 66.178 -0.437 19413 6058 1 7 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.663 -0.099 19413 6059 1 7 . 1 1 185 185 VAL H H 185 8.494 8.494 7.409 1.085 19413 6060 1 7 . 1 1 186 186 GLU N N 186 117.535 117.535 115.446 2.089 19413 6061 1 7 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.328 -0.208 19413 6062 1 7 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.594 0.565 19413 6063 1 7 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.294 0.495 19413 6064 1 7 . 1 1 186 186 GLU H H 186 7.541 7.541 8.220 -0.679 19413 6065 1 7 . 1 1 187 187 LYS N N 187 121.929 121.929 120.397 1.532 19413 6066 1 7 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.395 -0.269 19413 6067 1 7 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.488 2.260 19413 6068 1 7 . 1 1 187 187 LYS CB C 187 32.718 32.718 32.569 0.149 19413 6069 1 7 . 1 1 187 187 LYS H H 187 7.358 7.358 7.394 -0.036 19413 6070 1 8 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.881 -0.110 19413 6071 1 8 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.357 -0.069 19413 6072 1 8 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.426 -0.505 19413 6073 1 8 . 1 1 1 1 ALA N N 1 125.275 125.275 124.773 0.502 19413 6074 1 8 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.211 0.108 19413 6075 1 8 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.695 -0.662 19413 6076 1 8 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.453 1.671 19413 6077 1 8 . 1 1 1 1 ALA H H 1 8.441 8.441 8.159 0.282 19413 6078 1 8 . 1 1 2 2 GLN N N 2 121.120 121.120 118.379 2.741 19413 6079 1 8 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.546 -0.067 19413 6080 1 8 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.100 0.313 19413 6081 1 8 . 1 1 2 2 GLN CB C 2 29.494 29.494 29.609 -0.115 19413 6082 1 8 . 1 1 2 2 GLN H H 2 8.334 8.334 8.067 0.267 19413 6083 1 8 . 1 1 3 3 ILE N N 3 120.380 120.380 118.810 1.570 19413 6084 1 8 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.846 -0.435 19413 6085 1 8 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.200 1.593 19413 6086 1 8 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.692 -1.001 19413 6087 1 8 . 1 1 3 3 ILE H H 3 8.197 8.197 8.040 0.157 19413 6088 1 8 . 1 1 4 4 THR N N 4 120.223 120.223 119.900 0.323 19413 6089 1 8 . 1 1 4 4 THR HA H 4 4.566 4.566 4.630 -0.064 19413 6090 1 8 . 1 1 4 4 THR CA C 4 61.500 61.500 61.300 0.200 19413 6091 1 8 . 1 1 4 4 THR CB C 4 71.727 71.727 70.323 1.404 19413 6092 1 8 . 1 1 4 4 THR H H 4 9.119 9.119 8.948 0.171 19413 6093 1 8 . 1 1 5 5 ASP N N 5 128.193 128.193 125.884 2.309 19413 6094 1 8 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.036 0.110 19413 6095 1 8 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.918 0.431 19413 6096 1 8 . 1 1 5 5 ASP CB C 5 41.001 41.001 39.713 1.288 19413 6097 1 8 . 1 1 5 5 ASP H H 5 8.510 8.510 8.761 -0.251 19413 6098 1 8 . 1 1 6 6 GLY N N 6 117.400 117.400 113.443 3.957 19413 6099 1 8 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.476 -0.494 19413 6100 1 8 . 1 1 6 6 GLY H H 6 8.608 8.608 8.397 0.211 19413 6101 1 8 . 1 1 7 7 LYS N N 7 122.122 122.122 120.965 1.157 19413 6102 1 8 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.421 0.181 19413 6103 1 8 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.998 -0.334 19413 6104 1 8 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.178 -1.415 19413 6105 1 8 . 1 1 7 7 LYS H H 7 8.131 8.131 7.702 0.429 19413 6106 1 8 . 1 1 8 8 GLN N N 8 115.920 115.920 116.289 -0.369 19413 6107 1 8 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.425 -0.296 19413 6108 1 8 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.909 1.158 19413 6109 1 8 . 1 1 8 8 GLN CB C 8 27.086 27.086 29.939 -2.853 19413 6110 1 8 . 1 1 8 8 GLN H H 8 8.548 8.548 8.048 0.500 19413 6111 1 8 . 1 1 9 9 TYR N N 9 112.118 112.118 113.848 -1.730 19413 6112 1 8 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.377 -0.259 19413 6113 1 8 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.608 -0.870 19413 6114 1 8 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.242 -0.065 19413 6115 1 8 . 1 1 9 9 TYR H H 9 7.572 7.572 7.313 0.259 19413 6116 1 8 . 1 1 10 10 ILE N N 10 119.488 119.488 119.000 0.488 19413 6117 1 8 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.427 0.154 19413 6118 1 8 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.379 0.619 19413 6119 1 8 . 1 1 10 10 ILE CB C 10 42.003 42.003 40.964 1.039 19413 6120 1 8 . 1 1 10 10 ILE H H 10 9.365 9.365 9.137 0.228 19413 6121 1 8 . 1 1 11 11 THR N N 11 126.054 126.054 119.173 6.881 19413 6122 1 8 . 1 1 11 11 THR HA H 11 4.837 4.837 5.235 -0.398 19413 6123 1 8 . 1 1 11 11 THR CA C 11 63.376 63.376 61.720 1.656 19413 6124 1 8 . 1 1 11 11 THR CB C 11 68.487 68.487 69.969 -1.482 19413 6125 1 8 . 1 1 11 11 THR H H 11 9.153 9.153 8.276 0.877 19413 6126 1 8 . 1 1 12 12 LEU N N 12 129.370 129.370 126.721 2.649 19413 6127 1 8 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.503 -0.254 19413 6128 1 8 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.558 0.728 19413 6129 1 8 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.733 -1.227 19413 6130 1 8 . 1 1 12 12 LEU H H 12 8.636 8.636 8.616 0.020 19413 6131 1 8 . 1 1 13 13 ASP N N 13 122.179 122.179 122.698 -0.519 19413 6132 1 8 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.526 -0.088 19413 6133 1 8 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.673 0.051 19413 6134 1 8 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.337 -0.452 19413 6135 1 8 . 1 1 13 13 ASP H H 13 8.494 8.494 8.447 0.047 19413 6136 1 8 . 1 1 14 14 LYS N N 14 119.361 119.361 119.866 -0.505 19413 6137 1 8 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.653 0.109 19413 6138 1 8 . 1 1 14 14 LYS CA C 14 52.487 52.487 54.052 -1.565 19413 6139 1 8 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.241 -0.338 19413 6140 1 8 . 1 1 14 14 LYS H H 14 7.714 7.714 8.215 -0.501 19413 6141 1 8 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.471 0.132 19413 6142 1 8 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.673 -0.412 19413 6143 1 8 . 1 1 15 15 PRO CB C 15 32.697 32.697 29.977 2.720 19413 6144 1 8 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.341 0.021 19413 6145 1 8 . 1 1 16 16 ILE CA C 16 58.576 58.576 61.803 -3.227 19413 6146 1 8 . 1 1 16 16 ILE CB C 16 38.242 38.242 38.726 -0.484 19413 6147 1 8 . 1 1 17 17 ALA N N 17 130.287 130.287 129.048 1.239 19413 6148 1 8 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.653 -0.305 19413 6149 1 8 . 1 1 17 17 ALA CA C 17 52.651 52.651 51.603 1.048 19413 6150 1 8 . 1 1 17 17 ALA CB C 17 19.344 19.344 20.583 -1.239 19413 6151 1 8 . 1 1 17 17 ALA H H 17 8.396 8.396 8.139 0.257 19413 6152 1 8 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.922 0.296 19413 6153 1 8 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.352 0.049 19413 6154 1 8 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.600 0.792 19413 6155 1 8 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.482 -0.804 19413 6156 1 8 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.576 0.462 19413 6157 1 8 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.913 -1.947 19413 6158 1 8 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.210 -0.097 19413 6159 1 8 . 1 1 24 24 GLU N N 24 127.720 127.720 119.055 8.665 19413 6160 1 8 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.481 0.124 19413 6161 1 8 . 1 1 24 24 GLU CA C 24 53.438 53.438 53.981 -0.543 19413 6162 1 8 . 1 1 24 24 GLU CB C 24 33.704 33.704 34.109 -0.405 19413 6163 1 8 . 1 1 24 24 GLU H H 24 8.973 8.973 8.408 0.565 19413 6164 1 8 . 1 1 25 25 PHE N N 25 121.108 121.108 120.798 0.310 19413 6165 1 8 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.681 0.385 19413 6166 1 8 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.688 -0.743 19413 6167 1 8 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.213 1.793 19413 6168 1 8 . 1 1 25 25 PHE H H 25 9.266 9.266 9.006 0.260 19413 6169 1 8 . 1 1 26 26 PHE N N 26 120.125 120.125 118.940 1.185 19413 6170 1 8 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.963 -0.182 19413 6171 1 8 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.344 -1.506 19413 6172 1 8 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.383 2.221 19413 6173 1 8 . 1 1 26 26 PHE H H 26 8.957 8.957 9.199 -0.242 19413 6174 1 8 . 1 1 27 27 SER N N 27 109.643 109.643 113.297 -3.654 19413 6175 1 8 . 1 1 27 27 SER HA H 27 3.584 3.584 4.325 -0.741 19413 6176 1 8 . 1 1 27 27 SER CA C 27 54.556 54.556 54.952 -0.396 19413 6177 1 8 . 1 1 27 27 SER CB C 27 64.711 64.711 65.226 -0.515 19413 6178 1 8 . 1 1 27 27 SER H H 27 6.543 6.543 7.999 -1.456 19413 6179 1 8 . 1 1 28 28 PHE N N 28 132.096 132.096 118.641 13.455 19413 6180 1 8 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.767 0.600 19413 6181 1 8 . 1 1 28 28 PHE CA C 28 62.530 62.530 58.702 3.828 19413 6182 1 8 . 1 1 28 28 PHE CB C 28 38.643 38.643 39.267 -0.624 19413 6183 1 8 . 1 1 28 28 PHE H H 28 11.199 11.199 8.719 2.480 19413 6184 1 8 . 1 1 29 29 TYR N N 29 115.582 115.582 116.214 -0.632 19413 6185 1 8 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.495 -0.126 19413 6186 1 8 . 1 1 29 29 TYR CA C 29 59.845 59.845 57.825 2.020 19413 6187 1 8 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.608 1.173 19413 6188 1 8 . 1 1 29 29 TYR H H 29 8.619 8.619 7.886 0.733 19413 6189 1 8 . 1 1 30 30 CYS N N 30 121.025 121.025 118.908 2.117 19413 6190 1 8 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.827 0.179 19413 6191 1 8 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.688 -3.229 19413 6192 1 8 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.417 18.961 19413 6193 1 8 . 1 1 30 30 CYS H H 30 7.284 7.284 7.679 -0.395 19413 6194 1 8 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.461 0.616 19413 6195 1 8 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.841 1.132 19413 6196 1 8 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.241 -0.033 19413 6197 1 8 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.140 0.464 19413 6198 1 8 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.676 -2.229 19413 6199 1 8 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.657 1.397 19413 6200 1 8 . 1 1 33 33 CYS N N 33 117.365 117.365 116.260 1.105 19413 6201 1 8 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.222 0.317 19413 6202 1 8 . 1 1 33 33 CYS CA C 33 63.192 63.192 61.293 1.899 19413 6203 1 8 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.773 8.070 19413 6204 1 8 . 1 1 33 33 CYS H H 33 8.921 8.921 8.572 0.349 19413 6205 1 8 . 1 1 34 34 TYR N N 34 123.491 123.491 122.901 0.590 19413 6206 1 8 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.296 -1.534 19413 6207 1 8 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.367 -1.935 19413 6208 1 8 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.408 -0.923 19413 6209 1 8 . 1 1 34 34 TYR H H 34 7.650 7.650 7.600 0.050 19413 6210 1 8 . 1 1 35 35 GLN N N 35 118.639 118.639 118.120 0.519 19413 6211 1 8 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.997 -0.285 19413 6212 1 8 . 1 1 35 35 GLN CA C 35 58.410 58.410 59.044 -0.634 19413 6213 1 8 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.535 -0.602 19413 6214 1 8 . 1 1 35 35 GLN H H 35 7.641 7.641 8.302 -0.661 19413 6215 1 8 . 1 1 36 36 PHE N N 36 121.254 121.254 116.102 5.152 19413 6216 1 8 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.342 -0.312 19413 6217 1 8 . 1 1 36 36 PHE CA C 36 60.801 60.801 58.649 2.152 19413 6218 1 8 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.267 0.652 19413 6219 1 8 . 1 1 36 36 PHE H H 36 8.721 8.721 8.616 0.105 19413 6220 1 8 . 1 1 37 37 GLU N N 37 116.279 116.279 115.897 0.382 19413 6221 1 8 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.394 -0.067 19413 6222 1 8 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.023 1.761 19413 6223 1 8 . 1 1 37 37 GLU CB C 37 30.856 30.856 31.012 -0.156 19413 6224 1 8 . 1 1 37 37 GLU H H 37 7.705 7.705 7.566 0.139 19413 6225 1 8 . 1 1 38 38 GLU N N 38 112.285 112.285 114.847 -2.562 19413 6226 1 8 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.912 0.094 19413 6227 1 8 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.642 -1.064 19413 6228 1 8 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.571 -1.788 19413 6229 1 8 . 1 1 38 38 GLU H H 38 7.870 7.870 7.473 0.397 19413 6230 1 8 . 1 1 39 39 VAL N N 39 117.365 117.365 120.263 -2.898 19413 6231 1 8 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.754 0.254 19413 6232 1 8 . 1 1 39 39 VAL CA C 39 63.965 63.965 65.273 -1.308 19413 6233 1 8 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.378 -0.018 19413 6234 1 8 . 1 1 39 39 VAL H H 39 6.850 6.850 7.403 -0.553 19413 6235 1 8 . 1 1 40 40 LEU N N 40 116.098 116.098 116.912 -0.814 19413 6236 1 8 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.164 -0.071 19413 6237 1 8 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.453 -0.354 19413 6238 1 8 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.296 0.817 19413 6239 1 8 . 1 1 40 40 LEU H H 40 8.171 8.171 7.850 0.321 19413 6240 1 8 . 1 1 41 41 HIS N N 41 111.930 111.930 114.555 -2.625 19413 6241 1 8 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.250 0.256 19413 6242 1 8 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.533 -1.066 19413 6243 1 8 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.694 -1.091 19413 6244 1 8 . 1 1 41 41 HIS H H 41 6.459 6.459 7.395 -0.936 19413 6245 1 8 . 1 1 42 42 VAL N N 42 120.465 120.465 121.161 -0.696 19413 6246 1 8 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.415 -0.387 19413 6247 1 8 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.477 1.495 19413 6248 1 8 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.723 0.163 19413 6249 1 8 . 1 1 42 42 VAL H H 42 8.621 8.621 8.182 0.439 19413 6250 1 8 . 1 1 43 43 SER N N 43 113.968 113.968 115.760 -1.792 19413 6251 1 8 . 1 1 43 43 SER HA H 43 4.002 4.002 3.922 0.080 19413 6252 1 8 . 1 1 43 43 SER CA C 43 61.242 61.242 62.014 -0.772 19413 6253 1 8 . 1 1 43 43 SER CB C 43 62.565 62.565 62.905 -0.340 19413 6254 1 8 . 1 1 43 43 SER H H 43 8.040 8.040 7.661 0.379 19413 6255 1 8 . 1 1 44 44 ASP N N 44 121.731 121.731 121.415 0.316 19413 6256 1 8 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.410 0.004 19413 6257 1 8 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.456 -0.224 19413 6258 1 8 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.408 0.624 19413 6259 1 8 . 1 1 44 44 ASP H H 44 8.215 8.215 8.494 -0.279 19413 6260 1 8 . 1 1 45 45 ASN N N 45 118.906 118.906 119.147 -0.241 19413 6261 1 8 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.380 -0.108 19413 6262 1 8 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.407 0.915 19413 6263 1 8 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.760 0.867 19413 6264 1 8 . 1 1 45 45 ASN H H 45 7.860 7.860 7.863 -0.003 19413 6265 1 8 . 1 1 46 46 VAL N N 46 119.934 119.934 118.543 1.391 19413 6266 1 8 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.625 -0.160 19413 6267 1 8 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.392 0.409 19413 6268 1 8 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.368 -0.019 19413 6269 1 8 . 1 1 46 46 VAL H H 46 8.583 8.583 8.533 0.050 19413 6270 1 8 . 1 1 47 47 ARG N N 47 119.655 119.655 120.624 -0.969 19413 6271 1 8 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.964 -0.143 19413 6272 1 8 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.265 0.537 19413 6273 1 8 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.812 0.526 19413 6274 1 8 . 1 1 47 47 ARG H H 47 8.522 8.522 7.652 0.870 19413 6275 1 8 . 1 1 48 48 GLN N N 48 115.072 115.072 117.106 -2.034 19413 6276 1 8 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.159 -0.041 19413 6277 1 8 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.131 -0.402 19413 6278 1 8 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.887 0.123 19413 6279 1 8 . 1 1 48 48 GLN H H 48 7.605 7.605 7.718 -0.113 19413 6280 1 8 . 1 1 49 49 LYS N N 49 116.858 116.858 115.959 0.899 19413 6281 1 8 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.478 -0.056 19413 6282 1 8 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.431 -0.626 19413 6283 1 8 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.701 -0.053 19413 6284 1 8 . 1 1 49 49 LYS H H 49 7.460 7.460 7.817 -0.357 19413 6285 1 8 . 1 1 50 50 LEU N N 50 119.786 119.786 123.098 -3.312 19413 6286 1 8 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.266 0.133 19413 6287 1 8 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.523 -0.595 19413 6288 1 8 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.875 -0.921 19413 6289 1 8 . 1 1 50 50 LEU H H 50 7.215 7.215 7.556 -0.341 19413 6290 1 8 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.584 -0.108 19413 6291 1 8 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.047 0.225 19413 6292 1 8 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.429 -0.975 19413 6293 1 8 . 1 1 52 52 GLU N N 52 126.400 126.400 118.084 8.316 19413 6294 1 8 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.225 -0.125 19413 6295 1 8 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.104 1.011 19413 6296 1 8 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.419 0.917 19413 6297 1 8 . 1 1 52 52 GLU H H 52 8.935 8.935 8.735 0.200 19413 6298 1 8 . 1 1 53 53 GLY N N 53 113.671 113.671 107.523 6.148 19413 6299 1 8 . 1 1 53 53 GLY CA C 53 44.846 44.846 44.968 -0.122 19413 6300 1 8 . 1 1 53 53 GLY H H 53 8.948 8.948 7.746 1.202 19413 6301 1 8 . 1 1 54 54 THR N N 54 118.129 118.129 118.556 -0.427 19413 6302 1 8 . 1 1 54 54 THR HA H 54 4.161 4.161 4.517 -0.356 19413 6303 1 8 . 1 1 54 54 THR CA C 54 63.707 63.707 62.118 1.589 19413 6304 1 8 . 1 1 54 54 THR CB C 54 68.784 68.784 69.644 -0.860 19413 6305 1 8 . 1 1 54 54 THR H H 54 7.696 7.696 7.534 0.162 19413 6306 1 8 . 1 1 55 55 LYS N N 55 129.892 129.892 126.865 3.027 19413 6307 1 8 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.464 -0.089 19413 6308 1 8 . 1 1 55 55 LYS CA C 55 55.835 55.835 55.057 0.778 19413 6309 1 8 . 1 1 55 55 LYS CB C 55 33.448 33.448 33.325 0.123 19413 6310 1 8 . 1 1 55 55 LYS H H 55 8.757 8.757 8.655 0.102 19413 6311 1 8 . 1 1 56 56 MET N N 56 125.391 125.391 125.172 0.219 19413 6312 1 8 . 1 1 56 56 MET HA H 56 5.258 5.258 4.667 0.591 19413 6313 1 8 . 1 1 56 56 MET CA C 56 54.436 54.436 54.663 -0.227 19413 6314 1 8 . 1 1 56 56 MET CB C 56 34.394 34.394 29.898 4.497 19413 6315 1 8 . 1 1 56 56 MET H H 56 8.512 8.512 8.960 -0.448 19413 6316 1 8 . 1 1 57 57 THR N N 57 124.711 124.711 119.146 5.565 19413 6317 1 8 . 1 1 57 57 THR HA H 57 4.390 4.390 4.086 0.304 19413 6318 1 8 . 1 1 57 57 THR CA C 57 61.942 61.942 64.399 -2.457 19413 6319 1 8 . 1 1 57 57 THR CB C 57 70.952 70.952 69.482 1.470 19413 6320 1 8 . 1 1 57 57 THR H H 57 8.830 8.830 7.628 1.202 19413 6321 1 8 . 1 1 58 58 LYS N N 58 126.113 126.113 126.731 -0.618 19413 6322 1 8 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.058 0.224 19413 6323 1 8 . 1 1 58 58 LYS CA C 58 54.501 54.501 55.717 -1.216 19413 6324 1 8 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.225 1.192 19413 6325 1 8 . 1 1 58 58 LYS H H 58 8.739 8.739 8.863 -0.124 19413 6326 1 8 . 1 1 59 59 TYR N N 59 127.472 127.472 125.006 2.466 19413 6327 1 8 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.815 0.811 19413 6328 1 8 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.898 -4.073 19413 6329 1 8 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.266 0.419 19413 6330 1 8 . 1 1 59 59 TYR H H 59 9.524 9.524 9.090 0.434 19413 6331 1 8 . 1 1 60 60 HIS N N 60 123.656 123.656 118.693 4.963 19413 6332 1 8 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.606 -0.222 19413 6333 1 8 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.456 2.010 19413 6334 1 8 . 1 1 60 60 HIS CB C 60 30.819 30.819 30.812 0.007 19413 6335 1 8 . 1 1 60 60 HIS H H 60 9.284 9.284 7.900 1.384 19413 6336 1 8 . 1 1 61 61 VAL N N 61 112.397 112.397 113.955 -1.558 19413 6337 1 8 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.689 0.048 19413 6338 1 8 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.711 -1.632 19413 6339 1 8 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.973 -2.088 19413 6340 1 8 . 1 1 61 61 VAL H H 61 6.262 6.262 7.720 -1.458 19413 6341 1 8 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.406 -0.365 19413 6342 1 8 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.642 -0.314 19413 6343 1 8 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.407 0.345 19413 6344 1 8 . 1 1 63 63 PHE N N 63 111.215 111.215 122.125 -10.910 19413 6345 1 8 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.325 0.246 19413 6346 1 8 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.992 -2.283 19413 6347 1 8 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.150 -1.545 19413 6348 1 8 . 1 1 63 63 PHE H H 63 6.419 6.419 8.044 -1.625 19413 6349 1 8 . 1 1 64 64 LEU N N 64 119.701 119.701 119.835 -0.134 19413 6350 1 8 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.317 0.378 19413 6351 1 8 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.325 -0.513 19413 6352 1 8 . 1 1 64 64 LEU CB C 64 44.338 44.338 44.777 -0.439 19413 6353 1 8 . 1 1 64 64 LEU H H 64 6.396 6.396 7.520 -1.124 19413 6354 1 8 . 1 1 65 65 GLY N N 65 108.957 108.957 110.037 -1.080 19413 6355 1 8 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.479 -0.301 19413 6356 1 8 . 1 1 65 65 GLY H H 65 8.084 8.084 7.909 0.175 19413 6357 1 8 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.218 0.193 19413 6358 1 8 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.642 0.353 19413 6359 1 8 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.063 -0.272 19413 6360 1 8 . 1 1 67 67 LEU N N 67 114.479 114.479 118.532 -4.053 19413 6361 1 8 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.460 1.007 19413 6362 1 8 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.007 -1.114 19413 6363 1 8 . 1 1 67 67 LEU CB C 67 40.438 40.438 41.503 -1.065 19413 6364 1 8 . 1 1 67 67 LEU H H 67 7.484 7.484 8.168 -0.684 19413 6365 1 8 . 1 1 68 68 GLY N N 68 108.957 108.957 108.864 0.093 19413 6366 1 8 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.062 2.445 19413 6367 1 8 . 1 1 68 68 GLY H H 68 7.659 7.659 8.108 -0.449 19413 6368 1 8 . 1 1 69 69 LYS N N 69 124.459 124.459 121.419 3.040 19413 6369 1 8 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.006 0.040 19413 6370 1 8 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.843 2.193 19413 6371 1 8 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.029 -0.437 19413 6372 1 8 . 1 1 69 69 LYS H H 69 9.149 9.149 8.161 0.988 19413 6373 1 8 . 1 1 70 70 ASP N N 70 122.631 122.631 119.894 2.737 19413 6374 1 8 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.658 0.057 19413 6375 1 8 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.602 0.293 19413 6376 1 8 . 1 1 70 70 ASP CB C 70 42.157 42.157 41.084 1.073 19413 6377 1 8 . 1 1 70 70 ASP H H 70 8.519 8.519 8.066 0.453 19413 6378 1 8 . 1 1 71 71 LEU N N 71 119.276 119.276 119.533 -0.257 19413 6379 1 8 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.859 0.378 19413 6380 1 8 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.269 -0.992 19413 6381 1 8 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.493 1.584 19413 6382 1 8 . 1 1 71 71 LEU H H 71 9.421 9.421 7.732 1.689 19413 6383 1 8 . 1 1 72 72 THR N N 72 119.204 119.204 113.728 5.476 19413 6384 1 8 . 1 1 72 72 THR HA H 72 4.033 4.033 3.244 0.789 19413 6385 1 8 . 1 1 72 72 THR CA C 72 67.403 67.403 65.932 1.471 19413 6386 1 8 . 1 1 72 72 THR CB C 72 68.170 68.170 68.052 0.118 19413 6387 1 8 . 1 1 72 72 THR H H 72 7.762 7.762 7.989 -0.227 19413 6388 1 8 . 1 1 73 73 GLN N N 73 125.845 125.845 121.631 4.214 19413 6389 1 8 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.875 -0.212 19413 6390 1 8 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.505 0.898 19413 6391 1 8 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.189 -2.630 19413 6392 1 8 . 1 1 73 73 GLN H H 73 7.822 7.822 7.484 0.338 19413 6393 1 8 . 1 1 74 74 ALA N N 74 123.013 123.013 122.347 0.666 19413 6394 1 8 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.482 -0.349 19413 6395 1 8 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.294 -0.390 19413 6396 1 8 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.324 0.826 19413 6397 1 8 . 1 1 74 74 ALA H H 74 8.966 8.966 8.685 0.281 19413 6398 1 8 . 1 1 75 75 TRP N N 75 120.717 120.717 119.800 0.917 19413 6399 1 8 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.474 0.425 19413 6400 1 8 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.154 -1.082 19413 6401 1 8 . 1 1 75 75 TRP CB C 75 29.591 29.591 30.088 -0.497 19413 6402 1 8 . 1 1 75 75 TRP H H 75 8.932 8.932 8.527 0.405 19413 6403 1 8 . 1 1 76 76 ALA N N 76 119.394 119.394 121.110 -1.716 19413 6404 1 8 . 1 1 76 76 ALA HA H 76 3.975 3.975 4.013 -0.038 19413 6405 1 8 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.409 -0.531 19413 6406 1 8 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.097 2.068 19413 6407 1 8 . 1 1 76 76 ALA H H 76 7.650 7.650 8.066 -0.416 19413 6408 1 8 . 1 1 77 77 VAL N N 77 119.658 119.658 119.125 0.533 19413 6409 1 8 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.748 -0.524 19413 6410 1 8 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.483 0.425 19413 6411 1 8 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.228 -1.111 19413 6412 1 8 . 1 1 77 77 VAL H H 77 8.074 8.074 7.821 0.253 19413 6413 1 8 . 1 1 78 78 ALA N N 78 121.951 121.951 122.641 -0.690 19413 6414 1 8 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.144 -0.120 19413 6415 1 8 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.173 -0.332 19413 6416 1 8 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.048 -0.549 19413 6417 1 8 . 1 1 78 78 ALA H H 78 8.421 8.421 7.571 0.850 19413 6418 1 8 . 1 1 79 79 ILE N N 79 118.384 118.384 118.256 0.128 19413 6419 1 8 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.653 -0.037 19413 6420 1 8 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.347 -0.363 19413 6421 1 8 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.892 0.304 19413 6422 1 8 . 1 1 79 79 ILE H H 79 8.122 8.122 8.004 0.118 19413 6423 1 8 . 1 1 80 80 ALA N N 80 124.708 124.708 121.434 3.274 19413 6424 1 8 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.147 -0.169 19413 6425 1 8 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.673 0.242 19413 6426 1 8 . 1 1 80 80 ALA CB C 80 18.105 18.105 19.024 -0.919 19413 6427 1 8 . 1 1 80 80 ALA H H 80 8.694 8.694 7.966 0.728 19413 6428 1 8 . 1 1 81 81 LEU N N 81 114.303 114.303 115.104 -0.801 19413 6429 1 8 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.438 -0.058 19413 6430 1 8 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.571 0.012 19413 6431 1 8 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.710 0.502 19413 6432 1 8 . 1 1 81 81 LEU H H 81 8.469 8.469 7.611 0.858 19413 6433 1 8 . 1 1 82 82 GLY N N 82 112.196 112.196 107.973 4.223 19413 6434 1 8 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.592 1.366 19413 6435 1 8 . 1 1 82 82 GLY H H 82 7.955 7.955 7.819 0.136 19413 6436 1 8 . 1 1 83 83 VAL N N 83 109.426 109.426 110.725 -1.299 19413 6437 1 8 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.576 0.345 19413 6438 1 8 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.374 -1.192 19413 6439 1 8 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.303 -0.862 19413 6440 1 8 . 1 1 83 83 VAL H H 83 8.267 8.267 7.879 0.388 19413 6441 1 8 . 1 1 84 84 GLU N N 84 127.081 127.081 123.710 3.371 19413 6442 1 8 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.732 -0.148 19413 6443 1 8 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.857 0.499 19413 6444 1 8 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.575 0.395 19413 6445 1 8 . 1 1 84 84 GLU H H 84 10.566 10.566 8.691 1.875 19413 6446 1 8 . 1 1 85 85 ASP N N 85 117.467 117.467 115.341 2.126 19413 6447 1 8 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.422 0.165 19413 6448 1 8 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.346 -0.067 19413 6449 1 8 . 1 1 85 85 ASP CB C 85 39.732 39.732 39.780 -0.048 19413 6450 1 8 . 1 1 85 85 ASP H H 85 8.946 8.946 8.955 -0.009 19413 6451 1 8 . 1 1 86 86 LYS N N 86 119.121 119.121 118.145 0.976 19413 6452 1 8 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.333 0.086 19413 6453 1 8 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.085 0.094 19413 6454 1 8 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.652 -0.226 19413 6455 1 8 . 1 1 86 86 LYS H H 86 7.745 7.745 7.816 -0.071 19413 6456 1 8 . 1 1 87 87 ILE N N 87 108.193 108.193 112.782 -4.589 19413 6457 1 8 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.465 -0.227 19413 6458 1 8 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.436 -1.116 19413 6459 1 8 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.075 1.925 19413 6460 1 8 . 1 1 87 87 ILE H H 87 7.343 7.343 7.746 -0.403 19413 6461 1 8 . 1 1 88 88 THR N N 88 119.455 119.455 116.235 3.220 19413 6462 1 8 . 1 1 88 88 THR HA H 88 4.053 4.053 4.660 -0.607 19413 6463 1 8 . 1 1 88 88 THR CA C 88 69.780 69.780 64.493 5.287 19413 6464 1 8 . 1 1 88 88 THR CB C 88 68.491 68.491 70.273 -1.782 19413 6465 1 8 . 1 1 88 88 THR H H 88 7.746 7.746 8.043 -0.297 19413 6466 1 8 . 1 1 89 89 ALA N N 89 123.122 123.122 124.910 -1.788 19413 6467 1 8 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.631 -0.031 19413 6468 1 8 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.092 1.199 19413 6469 1 8 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.745 -1.548 19413 6470 1 8 . 1 1 89 89 ALA H H 89 9.125 9.125 8.709 0.416 19413 6471 1 8 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.296 0.120 19413 6472 1 8 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.710 -0.489 19413 6473 1 8 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.149 0.262 19413 6474 1 8 . 1 1 91 91 MET N N 91 119.468 119.468 118.255 1.213 19413 6475 1 8 . 1 1 91 91 MET HA H 91 4.370 4.370 4.245 0.125 19413 6476 1 8 . 1 1 91 91 MET CA C 91 56.901 56.901 58.665 -1.764 19413 6477 1 8 . 1 1 91 91 MET CB C 91 30.059 30.059 32.254 -2.195 19413 6478 1 8 . 1 1 91 91 MET H H 91 8.176 8.176 7.857 0.319 19413 6479 1 8 . 1 1 92 92 PHE N N 92 120.720 120.720 118.339 2.381 19413 6480 1 8 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.368 0.150 19413 6481 1 8 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.316 3.567 19413 6482 1 8 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.409 0.915 19413 6483 1 8 . 1 1 92 92 PHE H H 92 8.650 8.650 8.608 0.042 19413 6484 1 8 . 1 1 93 93 GLU N N 93 117.705 117.705 120.981 -3.276 19413 6485 1 8 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.072 -0.006 19413 6486 1 8 . 1 1 93 93 GLU CA C 93 59.403 59.403 60.014 -0.611 19413 6487 1 8 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.674 -0.032 19413 6488 1 8 . 1 1 93 93 GLU H H 93 8.240 8.240 8.658 -0.418 19413 6489 1 8 . 1 1 94 94 ALA N N 94 123.067 123.067 120.631 2.436 19413 6490 1 8 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.601 -0.150 19413 6491 1 8 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.130 -0.136 19413 6492 1 8 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.151 -0.148 19413 6493 1 8 . 1 1 94 94 ALA H H 94 8.431 8.431 8.035 0.396 19413 6494 1 8 . 1 1 95 95 VAL N N 95 115.582 115.582 117.052 -1.470 19413 6495 1 8 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.696 0.026 19413 6496 1 8 . 1 1 95 95 VAL CA C 95 65.804 65.804 65.038 0.766 19413 6497 1 8 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.296 -0.557 19413 6498 1 8 . 1 1 95 95 VAL H H 95 8.467 8.467 7.603 0.864 19413 6499 1 8 . 1 1 96 96 GLN N N 96 113.295 113.295 118.059 -4.764 19413 6500 1 8 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.246 0.305 19413 6501 1 8 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.385 0.841 19413 6502 1 8 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.904 0.775 19413 6503 1 8 . 1 1 96 96 GLN H H 96 8.184 8.184 8.281 -0.097 19413 6504 1 8 . 1 1 97 97 LYS N N 97 118.621 118.621 119.984 -1.363 19413 6505 1 8 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.159 0.528 19413 6506 1 8 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.782 -1.623 19413 6507 1 8 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.078 -0.536 19413 6508 1 8 . 1 1 97 97 LYS H H 97 8.231 8.231 7.765 0.466 19413 6509 1 8 . 1 1 98 98 THR N N 98 110.486 110.486 107.030 3.456 19413 6510 1 8 . 1 1 98 98 THR HA H 98 4.285 4.285 4.401 -0.116 19413 6511 1 8 . 1 1 98 98 THR CA C 98 62.420 62.420 61.792 0.628 19413 6512 1 8 . 1 1 98 98 THR CB C 98 68.343 68.343 70.786 -2.443 19413 6513 1 8 . 1 1 98 98 THR H H 98 8.612 8.612 8.064 0.548 19413 6514 1 8 . 1 1 99 99 GLN N N 99 115.751 115.751 116.803 -1.052 19413 6515 1 8 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.139 0.046 19413 6516 1 8 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.207 -0.221 19413 6517 1 8 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.336 -0.713 19413 6518 1 8 . 1 1 99 99 GLN H H 99 6.979 6.979 8.016 -1.037 19413 6519 1 8 . 1 1 100 100 THR N N 100 108.660 108.660 112.366 -3.706 19413 6520 1 8 . 1 1 100 100 THR HA H 100 4.350 4.350 4.159 0.191 19413 6521 1 8 . 1 1 100 100 THR CA C 100 61.035 61.035 64.314 -3.280 19413 6522 1 8 . 1 1 100 100 THR CB C 100 68.306 68.306 69.200 -0.894 19413 6523 1 8 . 1 1 100 100 THR H H 100 8.362 8.362 7.742 0.620 19413 6524 1 8 . 1 1 101 101 VAL N N 101 121.417 121.417 122.707 -1.290 19413 6525 1 8 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.824 0.369 19413 6526 1 8 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.522 -2.554 19413 6527 1 8 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.107 0.242 19413 6528 1 8 . 1 1 101 101 VAL H H 101 7.376 7.376 7.797 -0.421 19413 6529 1 8 . 1 1 102 102 GLN N N 102 127.472 127.472 124.173 3.299 19413 6530 1 8 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.499 0.065 19413 6531 1 8 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.554 -0.438 19413 6532 1 8 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.669 -0.901 19413 6533 1 8 . 1 1 102 102 GLN H H 102 9.583 9.583 8.539 1.044 19413 6534 1 8 . 1 1 103 103 SER N N 103 116.698 116.698 113.670 3.028 19413 6535 1 8 . 1 1 103 103 SER HA H 103 4.883 4.883 4.727 0.156 19413 6536 1 8 . 1 1 103 103 SER CA C 103 56.423 56.423 56.834 -0.411 19413 6537 1 8 . 1 1 103 103 SER CB C 103 66.834 66.834 66.399 0.435 19413 6538 1 8 . 1 1 103 103 SER H H 103 8.539 8.539 7.866 0.673 19413 6539 1 8 . 1 1 104 104 VAL N N 104 120.375 120.375 122.805 -2.430 19413 6540 1 8 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.658 0.082 19413 6541 1 8 . 1 1 104 104 VAL CA C 104 65.756 65.756 65.739 0.017 19413 6542 1 8 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.468 -0.539 19413 6543 1 8 . 1 1 104 104 VAL H H 104 8.929 8.929 8.794 0.135 19413 6544 1 8 . 1 1 105 105 ALA N N 105 125.255 125.255 120.949 4.306 19413 6545 1 8 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.035 -0.035 19413 6546 1 8 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.895 0.011 19413 6547 1 8 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.816 0.237 19413 6548 1 8 . 1 1 105 105 ALA H H 105 8.099 8.099 8.179 -0.080 19413 6549 1 8 . 1 1 106 106 ASP N N 106 118.317 118.317 117.809 0.508 19413 6550 1 8 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.644 -0.269 19413 6551 1 8 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.308 0.356 19413 6552 1 8 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.509 1.258 19413 6553 1 8 . 1 1 106 106 ASP H H 106 7.603 7.603 8.073 -0.470 19413 6554 1 8 . 1 1 107 107 ILE N N 107 120.210 120.210 119.118 1.092 19413 6555 1 8 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.919 -0.588 19413 6556 1 8 . 1 1 107 107 ILE CA C 107 65.609 65.609 63.989 1.620 19413 6557 1 8 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.047 -0.157 19413 6558 1 8 . 1 1 107 107 ILE H H 107 7.342 7.342 7.025 0.317 19413 6559 1 8 . 1 1 108 108 ARG N N 108 119.234 119.234 119.346 -0.112 19413 6560 1 8 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.455 -0.658 19413 6561 1 8 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.881 -0.225 19413 6562 1 8 . 1 1 108 108 ARG CB C 108 29.842 29.842 29.001 0.841 19413 6563 1 8 . 1 1 108 108 ARG H H 108 6.677 6.677 8.267 -1.590 19413 6564 1 8 . 1 1 109 109 LYS N N 109 117.662 117.662 120.528 -2.866 19413 6565 1 8 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.003 -0.157 19413 6566 1 8 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.659 -0.440 19413 6567 1 8 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.124 -0.150 19413 6568 1 8 . 1 1 109 109 LYS H H 109 7.164 7.164 7.564 -0.400 19413 6569 1 8 . 1 1 110 110 VAL N N 110 118.257 118.257 118.756 -0.499 19413 6570 1 8 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.729 -0.088 19413 6571 1 8 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.043 0.019 19413 6572 1 8 . 1 1 110 110 VAL CB C 110 31.224 31.224 30.968 0.256 19413 6573 1 8 . 1 1 110 110 VAL H H 110 7.269 7.269 7.628 -0.359 19413 6574 1 8 . 1 1 111 111 PHE N N 111 118.699 118.699 118.246 0.453 19413 6575 1 8 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.100 -0.190 19413 6576 1 8 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.416 -0.936 19413 6577 1 8 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.014 0.409 19413 6578 1 8 . 1 1 111 111 PHE H H 111 7.411 7.411 7.636 -0.225 19413 6579 1 8 . 1 1 112 112 VAL N N 112 121.527 121.527 119.688 1.839 19413 6580 1 8 . 1 1 112 112 VAL HA H 112 4.611 4.611 4.081 0.530 19413 6581 1 8 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.307 -0.588 19413 6582 1 8 . 1 1 112 112 VAL CB C 112 31.371 31.371 30.743 0.628 19413 6583 1 8 . 1 1 112 112 VAL H H 112 8.424 8.424 7.744 0.680 19413 6584 1 8 . 1 1 113 113 ASP N N 113 124.032 124.032 121.958 2.074 19413 6585 1 8 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.454 -0.007 19413 6586 1 8 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.840 -0.162 19413 6587 1 8 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.319 -1.039 19413 6588 1 8 . 1 1 113 113 ASP H H 113 9.048 9.048 8.707 0.341 19413 6589 1 8 . 1 1 114 114 ALA N N 114 121.399 121.399 119.290 2.109 19413 6590 1 8 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.385 0.082 19413 6591 1 8 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.164 -0.286 19413 6592 1 8 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.302 -0.689 19413 6593 1 8 . 1 1 114 114 ALA H H 114 7.505 7.505 7.674 -0.169 19413 6594 1 8 . 1 1 115 115 GLY N N 115 105.755 105.755 105.655 0.100 19413 6595 1 8 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.596 0.507 19413 6596 1 8 . 1 1 115 115 GLY H H 115 7.895 7.895 7.807 0.088 19413 6597 1 8 . 1 1 116 116 VAL N N 116 124.542 124.542 122.543 1.999 19413 6598 1 8 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.038 -0.018 19413 6599 1 8 . 1 1 116 116 VAL CA C 116 61.601 61.601 62.628 -1.027 19413 6600 1 8 . 1 1 116 116 VAL CB C 116 31.739 31.739 32.263 -0.524 19413 6601 1 8 . 1 1 116 116 VAL H H 116 8.095 8.095 7.965 0.130 19413 6602 1 8 . 1 1 117 117 LYS N N 117 128.363 128.363 129.674 -1.311 19413 6603 1 8 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.188 -0.005 19413 6604 1 8 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.552 -0.467 19413 6605 1 8 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.975 -1.163 19413 6606 1 8 . 1 1 117 117 LYS H H 117 9.102 9.102 9.000 0.102 19413 6607 1 8 . 1 1 118 118 GLY N N 118 116.049 116.049 113.371 2.678 19413 6608 1 8 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.288 0.380 19413 6609 1 8 . 1 1 118 118 GLY H H 118 9.300 9.300 9.070 0.230 19413 6610 1 8 . 1 1 119 119 GLU N N 119 118.512 118.512 118.968 -0.456 19413 6611 1 8 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.333 -0.107 19413 6612 1 8 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.320 1.203 19413 6613 1 8 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.360 -0.547 19413 6614 1 8 . 1 1 119 119 GLU H H 119 9.501 9.501 8.642 0.859 19413 6615 1 8 . 1 1 120 120 ASP N N 120 121.262 121.262 121.448 -0.186 19413 6616 1 8 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.459 0.120 19413 6617 1 8 . 1 1 120 120 ASP CA C 120 56.559 56.559 57.074 -0.515 19413 6618 1 8 . 1 1 120 120 ASP CB C 120 39.632 39.632 40.912 -1.280 19413 6619 1 8 . 1 1 120 120 ASP H H 120 7.088 7.088 7.695 -0.607 19413 6620 1 8 . 1 1 121 121 TYR N N 121 123.619 123.619 121.460 2.159 19413 6621 1 8 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.094 -0.372 19413 6622 1 8 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.755 0.396 19413 6623 1 8 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.530 -0.528 19413 6624 1 8 . 1 1 121 121 TYR H H 121 7.986 7.986 8.187 -0.201 19413 6625 1 8 . 1 1 122 122 ASP N N 122 119.702 119.702 117.943 1.759 19413 6626 1 8 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.080 0.174 19413 6627 1 8 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.825 0.298 19413 6628 1 8 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.465 -0.854 19413 6629 1 8 . 1 1 122 122 ASP H H 122 8.812 8.812 7.904 0.908 19413 6630 1 8 . 1 1 123 123 ALA N N 123 121.138 121.138 122.140 -1.002 19413 6631 1 8 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.236 -0.010 19413 6632 1 8 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.617 -0.388 19413 6633 1 8 . 1 1 123 123 ALA CB C 123 18.126 18.126 18.641 -0.515 19413 6634 1 8 . 1 1 123 123 ALA H H 123 7.696 7.696 7.574 0.122 19413 6635 1 8 . 1 1 124 124 ALA N N 124 120.299 120.299 122.407 -2.108 19413 6636 1 8 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.057 0.049 19413 6637 1 8 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.840 -0.514 19413 6638 1 8 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.194 0.371 19413 6639 1 8 . 1 1 124 124 ALA H H 124 7.935 7.935 8.271 -0.336 19413 6640 1 8 . 1 1 125 125 TRP N N 125 121.357 121.357 118.299 3.058 19413 6641 1 8 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.189 -0.713 19413 6642 1 8 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.632 0.831 19413 6643 1 8 . 1 1 125 125 TRP CB C 125 28.377 28.377 28.944 -0.567 19413 6644 1 8 . 1 1 125 125 TRP H H 125 8.948 8.948 8.543 0.405 19413 6645 1 8 . 1 1 126 126 ASN N N 126 110.817 110.817 113.421 -2.604 19413 6646 1 8 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.781 0.062 19413 6647 1 8 . 1 1 126 126 ASN CA C 126 52.522 52.522 53.322 -0.800 19413 6648 1 8 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.739 0.331 19413 6649 1 8 . 1 1 126 126 ASN H H 126 7.024 7.024 7.779 -0.755 19413 6650 1 8 . 1 1 127 127 SER N N 127 116.650 116.650 116.053 0.597 19413 6651 1 8 . 1 1 127 127 SER HA H 127 4.472 4.472 4.596 -0.124 19413 6652 1 8 . 1 1 127 127 SER CA C 127 58.535 58.535 57.282 1.253 19413 6653 1 8 . 1 1 127 127 SER CB C 127 65.513 65.513 64.974 0.539 19413 6654 1 8 . 1 1 127 127 SER H H 127 7.831 7.831 7.686 0.145 19413 6655 1 8 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.326 -0.048 19413 6656 1 8 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.958 0.097 19413 6657 1 8 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.230 -0.862 19413 6658 1 8 . 1 1 129 129 VAL N N 129 120.058 120.058 118.643 1.415 19413 6659 1 8 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.713 0.001 19413 6660 1 8 . 1 1 129 129 VAL CA C 129 65.672 65.672 67.220 -1.548 19413 6661 1 8 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.081 0.698 19413 6662 1 8 . 1 1 129 129 VAL H H 129 8.340 8.340 7.855 0.485 19413 6663 1 8 . 1 1 130 130 VAL N N 130 122.552 122.552 119.020 3.532 19413 6664 1 8 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.604 -0.093 19413 6665 1 8 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.832 0.002 19413 6666 1 8 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.216 0.008 19413 6667 1 8 . 1 1 130 130 VAL H H 130 7.163 7.163 7.601 -0.438 19413 6668 1 8 . 1 1 131 131 LYS N N 131 122.079 122.079 119.990 2.089 19413 6669 1 8 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.741 0.015 19413 6670 1 8 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.372 0.362 19413 6671 1 8 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.241 0.277 19413 6672 1 8 . 1 1 131 131 LYS H H 131 7.852 7.852 7.366 0.486 19413 6673 1 8 . 1 1 132 132 SER N N 132 115.836 115.836 114.867 0.969 19413 6674 1 8 . 1 1 132 132 SER HA H 132 4.155 4.155 4.196 -0.041 19413 6675 1 8 . 1 1 132 132 SER CA C 132 61.022 61.022 61.467 -0.445 19413 6676 1 8 . 1 1 132 132 SER CB C 132 62.309 62.309 63.177 -0.868 19413 6677 1 8 . 1 1 132 132 SER H H 132 8.258 8.258 8.107 0.151 19413 6678 1 8 . 1 1 133 133 LEU N N 133 124.754 124.754 122.676 2.078 19413 6679 1 8 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.950 0.247 19413 6680 1 8 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.946 -0.382 19413 6681 1 8 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.110 2.051 19413 6682 1 8 . 1 1 133 133 LEU H H 133 8.140 8.140 8.124 0.016 19413 6683 1 8 . 1 1 134 134 VAL N N 134 123.461 123.461 119.483 3.978 19413 6684 1 8 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.850 -0.569 19413 6685 1 8 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.485 2.372 19413 6686 1 8 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.574 -0.718 19413 6687 1 8 . 1 1 134 134 VAL H H 134 8.718 8.718 8.644 0.074 19413 6688 1 8 . 1 1 135 135 ALA N N 135 121.739 121.739 120.630 1.109 19413 6689 1 8 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.931 0.233 19413 6690 1 8 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.092 -0.163 19413 6691 1 8 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.097 -0.671 19413 6692 1 8 . 1 1 135 135 ALA H H 135 7.513 7.513 7.768 -0.255 19413 6693 1 8 . 1 1 136 136 GLN N N 136 119.033 119.033 117.654 1.379 19413 6694 1 8 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.933 0.143 19413 6695 1 8 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.575 -0.466 19413 6696 1 8 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.618 0.467 19413 6697 1 8 . 1 1 136 136 GLN H H 136 8.473 8.473 7.945 0.528 19413 6698 1 8 . 1 1 137 137 GLN N N 137 119.734 119.734 117.105 2.629 19413 6699 1 8 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.291 -0.779 19413 6700 1 8 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.304 1.578 19413 6701 1 8 . 1 1 137 137 GLN CB C 137 30.843 30.843 27.507 3.336 19413 6702 1 8 . 1 1 137 137 GLN H H 137 7.995 7.995 7.913 0.082 19413 6703 1 8 . 1 1 138 138 GLU N N 138 121.309 121.309 120.525 0.784 19413 6704 1 8 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.034 -0.099 19413 6705 1 8 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.727 -0.750 19413 6706 1 8 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.319 -0.354 19413 6707 1 8 . 1 1 138 138 GLU H H 138 8.291 8.291 8.392 -0.101 19413 6708 1 8 . 1 1 139 139 LYS N N 139 122.121 122.121 120.329 1.792 19413 6709 1 8 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.051 0.066 19413 6710 1 8 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.246 -0.322 19413 6711 1 8 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.502 0.090 19413 6712 1 8 . 1 1 139 139 LYS H H 139 8.603 8.603 7.759 0.844 19413 6713 1 8 . 1 1 140 140 ALA N N 140 120.286 120.286 118.577 1.709 19413 6714 1 8 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.305 0.105 19413 6715 1 8 . 1 1 140 140 ALA CA C 140 55.063 55.063 54.272 0.791 19413 6716 1 8 . 1 1 140 140 ALA CB C 140 18.446 18.446 19.143 -0.698 19413 6717 1 8 . 1 1 140 140 ALA H H 140 8.140 8.140 7.767 0.373 19413 6718 1 8 . 1 1 141 141 ALA N N 141 116.994 116.994 117.311 -0.317 19413 6719 1 8 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.741 -1.093 19413 6720 1 8 . 1 1 141 141 ALA CA C 141 54.515 54.515 51.713 2.802 19413 6721 1 8 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.258 -2.257 19413 6722 1 8 . 1 1 141 141 ALA H H 141 7.251 7.251 7.568 -0.317 19413 6723 1 8 . 1 1 142 142 ALA N N 142 121.272 121.272 120.454 0.818 19413 6724 1 8 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.507 -0.323 19413 6725 1 8 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.401 2.256 19413 6726 1 8 . 1 1 142 142 ALA CB C 142 18.217 18.217 20.232 -2.014 19413 6727 1 8 . 1 1 142 142 ALA H H 142 7.940 7.940 7.758 0.182 19413 6728 1 8 . 1 1 143 143 ASP N N 143 121.599 121.599 120.471 1.128 19413 6729 1 8 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.582 -0.246 19413 6730 1 8 . 1 1 143 143 ASP CA C 143 56.975 56.975 53.615 3.360 19413 6731 1 8 . 1 1 143 143 ASP CB C 143 40.035 40.035 40.854 -0.819 19413 6732 1 8 . 1 1 143 143 ASP H H 143 9.272 9.272 8.067 1.205 19413 6733 1 8 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.834 0.277 19413 6734 1 8 . 1 1 144 144 LEU CA C 144 54.547 54.547 57.000 -2.453 19413 6735 1 8 . 1 1 144 144 LEU CB C 144 41.055 41.055 40.014 1.041 19413 6736 1 8 . 1 1 145 145 GLN N N 145 116.940 116.940 116.792 0.148 19413 6737 1 8 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.161 -0.409 19413 6738 1 8 . 1 1 145 145 GLN CA C 145 55.823 55.823 57.064 -1.241 19413 6739 1 8 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.993 -2.861 19413 6740 1 8 . 1 1 145 145 GLN H H 145 7.750 7.750 7.612 0.138 19413 6741 1 8 . 1 1 146 146 LEU N N 146 119.399 119.399 120.199 -0.800 19413 6742 1 8 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.519 -0.633 19413 6743 1 8 . 1 1 146 146 LEU CA C 146 56.313 56.313 54.157 2.156 19413 6744 1 8 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.830 0.312 19413 6745 1 8 . 1 1 146 146 LEU H H 146 7.516 7.516 7.597 -0.081 19413 6746 1 8 . 1 1 147 147 GLN N N 147 123.118 123.118 124.448 -1.330 19413 6747 1 8 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.321 -0.174 19413 6748 1 8 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.219 -0.353 19413 6749 1 8 . 1 1 147 147 GLN CB C 147 30.525 30.525 30.339 0.186 19413 6750 1 8 . 1 1 147 147 GLN H H 147 8.895 8.895 8.625 0.270 19413 6751 1 8 . 1 1 148 148 GLY N N 148 106.555 106.555 109.255 -2.700 19413 6752 1 8 . 1 1 148 148 GLY CA C 148 45.104 45.104 45.245 -0.141 19413 6753 1 8 . 1 1 148 148 GLY H H 148 7.275 7.275 7.573 -0.298 19413 6754 1 8 . 1 1 149 149 VAL N N 149 110.030 110.030 121.935 -11.905 19413 6755 1 8 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.586 -0.115 19413 6756 1 8 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.351 -0.714 19413 6757 1 8 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.765 1.917 19413 6758 1 8 . 1 1 149 149 VAL H H 149 8.267 8.267 8.038 0.229 19413 6759 1 8 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.825 -0.015 19413 6760 1 8 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.711 -0.567 19413 6761 1 8 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.431 2.495 19413 6762 1 8 . 1 1 151 151 ALA N N 151 123.567 123.567 123.789 -0.222 19413 6763 1 8 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.667 0.218 19413 6764 1 8 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.938 -0.313 19413 6765 1 8 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.021 2.826 19413 6766 1 8 . 1 1 151 151 ALA H H 151 8.249 8.249 9.015 -0.766 19413 6767 1 8 . 1 1 152 152 MET N N 152 121.866 121.866 125.479 -3.613 19413 6768 1 8 . 1 1 152 152 MET HA H 152 5.724 5.724 5.219 0.505 19413 6769 1 8 . 1 1 152 152 MET CA C 152 55.487 55.487 54.709 0.778 19413 6770 1 8 . 1 1 152 152 MET CB C 152 36.830 36.830 35.588 1.242 19413 6771 1 8 . 1 1 152 152 MET H H 152 8.610 8.610 8.746 -0.136 19413 6772 1 8 . 1 1 153 153 TYR N N 153 124.782 124.782 122.359 2.423 19413 6773 1 8 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.463 0.291 19413 6774 1 8 . 1 1 153 153 TYR CA C 153 56.208 56.208 57.395 -1.187 19413 6775 1 8 . 1 1 153 153 TYR CB C 153 42.990 42.990 41.802 1.188 19413 6776 1 8 . 1 1 153 153 TYR H H 153 9.685 9.685 8.900 0.785 19413 6777 1 8 . 1 1 154 154 VAL N N 154 121.914 121.914 121.598 0.316 19413 6778 1 8 . 1 1 154 154 VAL CB C 154 34.660 34.660 33.328 1.332 19413 6779 1 8 . 1 1 154 154 VAL H H 154 9.441 9.441 8.165 1.276 19413 6780 1 8 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.972 -0.233 19413 6781 1 8 . 1 1 155 155 ASN CA C 155 54.473 54.473 52.521 1.952 19413 6782 1 8 . 1 1 155 155 ASN CB C 155 37.154 37.154 39.446 -2.292 19413 6783 1 8 . 1 1 156 156 GLY N N 156 106.059 106.059 108.118 -2.059 19413 6784 1 8 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.747 -0.561 19413 6785 1 8 . 1 1 156 156 GLY H H 156 9.354 9.354 8.382 0.972 19413 6786 1 8 . 1 1 157 157 LYS N N 157 114.357 114.357 115.941 -1.584 19413 6787 1 8 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.312 0.240 19413 6788 1 8 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.016 0.739 19413 6789 1 8 . 1 1 157 157 LYS CB C 157 36.788 36.788 33.265 3.523 19413 6790 1 8 . 1 1 157 157 LYS H H 157 7.877 7.877 7.942 -0.065 19413 6791 1 8 . 1 1 158 158 TYR N N 158 117.900 117.900 118.334 -0.434 19413 6792 1 8 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.689 0.175 19413 6793 1 8 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.493 -0.637 19413 6794 1 8 . 1 1 158 158 TYR CB C 158 42.879 42.879 39.965 2.914 19413 6795 1 8 . 1 1 158 158 TYR H H 158 7.876 7.876 7.598 0.278 19413 6796 1 8 . 1 1 159 159 GLN N N 159 125.094 125.094 123.156 1.938 19413 6797 1 8 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.959 -0.206 19413 6798 1 8 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.031 -0.625 19413 6799 1 8 . 1 1 159 159 GLN CB C 159 31.849 31.849 31.690 0.159 19413 6800 1 8 . 1 1 159 159 GLN H H 159 9.701 9.701 8.553 1.148 19413 6801 1 8 . 1 1 160 160 LEU N N 160 131.941 131.941 126.056 5.885 19413 6802 1 8 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.289 -0.278 19413 6803 1 8 . 1 1 160 160 LEU CA C 160 53.995 53.995 54.983 -0.988 19413 6804 1 8 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.576 -1.501 19413 6805 1 8 . 1 1 160 160 LEU H H 160 8.551 8.551 8.090 0.461 19413 6806 1 8 . 1 1 161 161 ASN N N 161 118.639 118.639 121.718 -3.079 19413 6807 1 8 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.192 0.304 19413 6808 1 8 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.001 -0.232 19413 6809 1 8 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.092 -0.181 19413 6810 1 8 . 1 1 161 161 ASN H H 161 8.285 8.285 8.562 -0.277 19413 6811 1 8 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.820 -0.031 19413 6812 1 8 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.047 -0.273 19413 6813 1 8 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.663 -0.484 19413 6814 1 8 . 1 1 163 163 GLN N N 163 116.006 116.006 120.391 -4.385 19413 6815 1 8 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.176 0.050 19413 6816 1 8 . 1 1 163 163 GLN CA C 163 57.966 57.966 58.031 -0.065 19413 6817 1 8 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.277 -0.301 19413 6818 1 8 . 1 1 163 163 GLN H H 163 8.086 8.086 8.004 0.082 19413 6819 1 8 . 1 1 164 164 GLY N N 164 107.393 107.393 107.620 -0.227 19413 6820 1 8 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.375 0.228 19413 6821 1 8 . 1 1 164 164 GLY H H 164 8.030 8.030 7.820 0.210 19413 6822 1 8 . 1 1 165 165 MET N N 165 119.802 119.802 116.926 2.876 19413 6823 1 8 . 1 1 165 165 MET HA H 165 4.636 4.636 4.807 -0.171 19413 6824 1 8 . 1 1 165 165 MET CA C 165 54.567 54.567 54.318 0.249 19413 6825 1 8 . 1 1 165 165 MET CB C 165 34.464 34.464 36.911 -2.447 19413 6826 1 8 . 1 1 165 165 MET H H 165 7.451 7.451 7.432 0.019 19413 6827 1 8 . 1 1 166 166 ASP N N 166 121.681 121.681 122.161 -0.480 19413 6828 1 8 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.773 -0.140 19413 6829 1 8 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.030 0.151 19413 6830 1 8 . 1 1 166 166 ASP CB C 166 40.653 40.653 40.084 0.569 19413 6831 1 8 . 1 1 166 166 ASP H H 166 8.694 8.694 8.924 -0.230 19413 6832 1 8 . 1 1 167 167 THR N N 167 112.609 112.609 112.878 -0.269 19413 6833 1 8 . 1 1 167 167 THR HA H 167 4.224 4.224 4.307 -0.083 19413 6834 1 8 . 1 1 167 167 THR CA C 167 60.340 60.340 62.812 -2.472 19413 6835 1 8 . 1 1 167 167 THR CB C 167 68.416 68.416 67.112 1.304 19413 6836 1 8 . 1 1 167 167 THR H H 167 7.860 7.860 8.035 -0.175 19413 6837 1 8 . 1 1 168 168 SER N N 168 118.936 118.936 116.652 2.284 19413 6838 1 8 . 1 1 168 168 SER HA H 168 4.158 4.158 4.712 -0.554 19413 6839 1 8 . 1 1 168 168 SER CA C 168 60.874 60.874 58.351 2.523 19413 6840 1 8 . 1 1 168 168 SER CB C 168 63.123 63.123 64.571 -1.448 19413 6841 1 8 . 1 1 168 168 SER H H 168 8.739 8.739 8.041 0.698 19413 6842 1 8 . 1 1 169 169 ASN N N 169 117.875 117.875 118.659 -0.784 19413 6843 1 8 . 1 1 169 169 ASN HA H 169 4.773 4.773 5.013 -0.240 19413 6844 1 8 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.106 -0.758 19413 6845 1 8 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.966 -0.274 19413 6846 1 8 . 1 1 169 169 ASN H H 169 7.341 7.341 7.773 -0.432 19413 6847 1 8 . 1 1 170 170 MET N N 170 123.431 123.431 116.777 6.654 19413 6848 1 8 . 1 1 170 170 MET HA H 170 4.600 4.600 4.037 0.563 19413 6849 1 8 . 1 1 170 170 MET CA C 170 57.233 57.233 58.680 -1.447 19413 6850 1 8 . 1 1 170 170 MET CB C 170 32.751 32.751 30.316 2.435 19413 6851 1 8 . 1 1 170 170 MET H H 170 9.186 9.186 8.382 0.804 19413 6852 1 8 . 1 1 171 171 ASP N N 171 120.825 120.825 120.185 0.640 19413 6853 1 8 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.465 0.028 19413 6854 1 8 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.520 -0.014 19413 6855 1 8 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.939 -1.151 19413 6856 1 8 . 1 1 171 171 ASP H H 171 8.232 8.232 8.237 -0.005 19413 6857 1 8 . 1 1 172 172 VAL N N 172 122.666 122.666 119.268 3.398 19413 6858 1 8 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.767 0.011 19413 6859 1 8 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.771 -0.232 19413 6860 1 8 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.701 0.154 19413 6861 1 8 . 1 1 172 172 VAL H H 172 7.872 7.872 7.833 0.039 19413 6862 1 8 . 1 1 173 173 PHE N N 173 121.872 121.872 120.642 1.230 19413 6863 1 8 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.246 0.134 19413 6864 1 8 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.323 0.141 19413 6865 1 8 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.733 0.541 19413 6866 1 8 . 1 1 173 173 PHE H H 173 8.250 8.250 7.795 0.455 19413 6867 1 8 . 1 1 174 174 VAL N N 174 117.535 117.535 118.954 -1.419 19413 6868 1 8 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.018 0.025 19413 6869 1 8 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.156 1.747 19413 6870 1 8 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.330 1.041 19413 6871 1 8 . 1 1 174 174 VAL H H 174 8.138 8.138 7.389 0.749 19413 6872 1 8 . 1 1 175 175 ALA N N 175 121.129 121.129 122.240 -1.111 19413 6873 1 8 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.939 0.187 19413 6874 1 8 . 1 1 175 175 ALA CA C 175 54.768 54.768 54.850 -0.082 19413 6875 1 8 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.391 -0.376 19413 6876 1 8 . 1 1 175 175 ALA H H 175 7.396 7.396 7.924 -0.528 19413 6877 1 8 . 1 1 176 176 GLN N N 176 120.043 120.043 117.300 2.743 19413 6878 1 8 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.043 0.036 19413 6879 1 8 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.429 0.533 19413 6880 1 8 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.232 -1.183 19413 6881 1 8 . 1 1 176 176 GLN H H 176 8.721 8.721 7.569 1.152 19413 6882 1 8 . 1 1 177 177 TYR N N 177 127.981 127.981 122.516 5.465 19413 6883 1 8 . 1 1 177 177 TYR HA H 177 3.591 3.591 4.002 -0.411 19413 6884 1 8 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.492 0.070 19413 6885 1 8 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.000 -0.022 19413 6886 1 8 . 1 1 177 177 TYR H H 177 9.002 9.002 8.178 0.824 19413 6887 1 8 . 1 1 178 178 ALA N N 178 119.796 119.796 119.637 0.159 19413 6888 1 8 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.919 0.111 19413 6889 1 8 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.391 0.014 19413 6890 1 8 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.924 0.045 19413 6891 1 8 . 1 1 178 178 ALA H H 178 8.392 8.392 8.148 0.244 19413 6892 1 8 . 1 1 179 179 ASP N N 179 117.823 117.823 117.347 0.476 19413 6893 1 8 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.355 0.064 19413 6894 1 8 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.166 0.130 19413 6895 1 8 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.410 1.393 19413 6896 1 8 . 1 1 179 179 ASP H H 179 8.379 8.379 7.476 0.903 19413 6897 1 8 . 1 1 180 180 THR N N 180 117.846 117.846 116.215 1.631 19413 6898 1 8 . 1 1 180 180 THR HA H 180 4.179 4.179 4.043 0.136 19413 6899 1 8 . 1 1 180 180 THR CA C 180 67.378 67.378 65.435 1.943 19413 6900 1 8 . 1 1 180 180 THR CB C 180 67.733 67.733 68.460 -0.727 19413 6901 1 8 . 1 1 180 180 THR H H 180 8.255 8.255 7.907 0.348 19413 6902 1 8 . 1 1 181 181 VAL N N 181 120.101 120.101 120.959 -0.858 19413 6903 1 8 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.496 -0.315 19413 6904 1 8 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.988 0.792 19413 6905 1 8 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.292 -0.361 19413 6906 1 8 . 1 1 181 181 VAL H H 181 7.772 7.772 7.671 0.101 19413 6907 1 8 . 1 1 182 182 LYS N N 182 119.144 119.144 118.742 0.402 19413 6908 1 8 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.975 -0.345 19413 6909 1 8 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.128 1.233 19413 6910 1 8 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.906 0.374 19413 6911 1 8 . 1 1 182 182 LYS H H 182 7.758 7.758 7.606 0.152 19413 6912 1 8 . 1 1 183 183 GLN N N 183 116.269 116.269 118.288 -2.019 19413 6913 1 8 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.178 -0.193 19413 6914 1 8 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.322 0.961 19413 6915 1 8 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.474 0.849 19413 6916 1 8 . 1 1 183 183 GLN H H 183 8.114 8.114 8.234 -0.120 19413 6917 1 8 . 1 1 184 184 LEU N N 184 119.688 119.688 117.398 2.290 19413 6918 1 8 . 1 1 184 184 LEU HA H 184 3.635 3.635 4.029 -0.394 19413 6919 1 8 . 1 1 184 184 LEU CA C 184 57.041 57.041 55.494 1.547 19413 6920 1 8 . 1 1 184 184 LEU CB C 184 42.060 42.060 42.127 -0.067 19413 6921 1 8 . 1 1 184 184 LEU H H 184 8.000 8.000 7.333 0.667 19413 6922 1 8 . 1 1 185 185 VAL N N 185 121.017 121.017 117.733 3.284 19413 6923 1 8 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.641 -0.129 19413 6924 1 8 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.911 -0.169 19413 6925 1 8 . 1 1 185 185 VAL CB C 185 31.564 31.564 32.397 -0.833 19413 6926 1 8 . 1 1 185 185 VAL H H 185 8.494 8.494 7.531 0.963 19413 6927 1 8 . 1 1 186 186 GLU N N 186 117.535 117.535 117.080 0.455 19413 6928 1 8 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.177 -0.057 19413 6929 1 8 . 1 1 186 186 GLU CA C 186 57.159 57.159 57.996 -0.837 19413 6930 1 8 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.057 0.732 19413 6931 1 8 . 1 1 186 186 GLU H H 186 7.541 7.541 7.786 -0.245 19413 6932 1 8 . 1 1 187 187 LYS N N 187 121.929 121.929 118.791 3.138 19413 6933 1 8 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.161 -0.035 19413 6934 1 8 . 1 1 187 187 LYS CA C 187 57.748 57.748 56.776 0.972 19413 6935 1 8 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.770 0.948 19413 6936 1 8 . 1 1 187 187 LYS H H 187 7.358 7.358 7.724 -0.366 19413 6937 1 9 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.847 -0.076 19413 6938 1 9 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.426 -0.138 19413 6939 1 9 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.313 -0.392 19413 6940 1 9 . 1 1 1 1 ALA N N 1 125.275 125.275 123.915 1.360 19413 6941 1 9 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.252 0.067 19413 6942 1 9 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.622 -0.589 19413 6943 1 9 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.624 1.500 19413 6944 1 9 . 1 1 1 1 ALA H H 1 8.441 8.441 8.070 0.371 19413 6945 1 9 . 1 1 2 2 GLN N N 2 121.120 121.120 118.846 2.274 19413 6946 1 9 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.585 -0.106 19413 6947 1 9 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.852 -0.439 19413 6948 1 9 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.782 -2.288 19413 6949 1 9 . 1 1 2 2 GLN H H 2 8.334 8.334 7.992 0.342 19413 6950 1 9 . 1 1 3 3 ILE N N 3 120.380 120.380 118.865 1.515 19413 6951 1 9 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.629 -0.218 19413 6952 1 9 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.666 1.127 19413 6953 1 9 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.615 -0.924 19413 6954 1 9 . 1 1 3 3 ILE H H 3 8.197 8.197 7.981 0.216 19413 6955 1 9 . 1 1 4 4 THR N N 4 120.223 120.223 117.727 2.496 19413 6956 1 9 . 1 1 4 4 THR HA H 4 4.566 4.566 4.620 -0.054 19413 6957 1 9 . 1 1 4 4 THR CA C 4 61.500 61.500 61.742 -0.242 19413 6958 1 9 . 1 1 4 4 THR CB C 4 71.727 71.727 71.783 -0.056 19413 6959 1 9 . 1 1 4 4 THR H H 4 9.119 9.119 9.219 -0.100 19413 6960 1 9 . 1 1 5 5 ASP N N 5 128.193 128.193 125.574 2.619 19413 6961 1 9 . 1 1 5 5 ASP HA H 5 3.146 3.146 2.973 0.173 19413 6962 1 9 . 1 1 5 5 ASP CA C 5 55.349 55.349 55.108 0.242 19413 6963 1 9 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.849 0.152 19413 6964 1 9 . 1 1 5 5 ASP H H 5 8.510 8.510 8.530 -0.020 19413 6965 1 9 . 1 1 6 6 GLY N N 6 117.400 117.400 114.885 2.515 19413 6966 1 9 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.666 -0.684 19413 6967 1 9 . 1 1 6 6 GLY H H 6 8.608 8.608 8.452 0.156 19413 6968 1 9 . 1 1 7 7 LYS N N 7 122.122 122.122 121.051 1.071 19413 6969 1 9 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.477 0.125 19413 6970 1 9 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.909 -0.245 19413 6971 1 9 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.333 -1.570 19413 6972 1 9 . 1 1 7 7 LYS H H 7 8.131 8.131 7.569 0.562 19413 6973 1 9 . 1 1 8 8 GLN N N 8 115.920 115.920 115.923 -0.003 19413 6974 1 9 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.445 -0.316 19413 6975 1 9 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.440 1.627 19413 6976 1 9 . 1 1 8 8 GLN CB C 8 27.086 27.086 29.710 -2.624 19413 6977 1 9 . 1 1 8 8 GLN H H 8 8.548 8.548 7.926 0.622 19413 6978 1 9 . 1 1 9 9 TYR N N 9 112.118 112.118 114.304 -2.186 19413 6979 1 9 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.533 -0.415 19413 6980 1 9 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.411 -0.673 19413 6981 1 9 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.400 -0.223 19413 6982 1 9 . 1 1 9 9 TYR H H 9 7.572 7.572 7.475 0.097 19413 6983 1 9 . 1 1 10 10 ILE N N 10 119.488 119.488 117.826 1.662 19413 6984 1 9 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.852 -0.271 19413 6985 1 9 . 1 1 10 10 ILE CA C 10 58.998 58.998 59.071 -0.073 19413 6986 1 9 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.779 0.224 19413 6987 1 9 . 1 1 10 10 ILE H H 10 9.365 9.365 9.146 0.219 19413 6988 1 9 . 1 1 11 11 THR N N 11 126.054 126.054 119.304 6.750 19413 6989 1 9 . 1 1 11 11 THR HA H 11 4.837 4.837 5.391 -0.554 19413 6990 1 9 . 1 1 11 11 THR CA C 11 63.376 63.376 61.275 2.101 19413 6991 1 9 . 1 1 11 11 THR CB C 11 68.487 68.487 70.486 -1.999 19413 6992 1 9 . 1 1 11 11 THR H H 11 9.153 9.153 8.190 0.963 19413 6993 1 9 . 1 1 12 12 LEU N N 12 129.370 129.370 125.738 3.632 19413 6994 1 9 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.411 -0.162 19413 6995 1 9 . 1 1 12 12 LEU CA C 12 55.286 55.286 55.409 -0.123 19413 6996 1 9 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.566 -1.060 19413 6997 1 9 . 1 1 12 12 LEU H H 12 8.636 8.636 8.679 -0.043 19413 6998 1 9 . 1 1 13 13 ASP N N 13 122.179 122.179 123.492 -1.313 19413 6999 1 9 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.493 -0.055 19413 7000 1 9 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.887 -0.163 19413 7001 1 9 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.432 -0.547 19413 7002 1 9 . 1 1 13 13 ASP H H 13 8.494 8.494 8.484 0.010 19413 7003 1 9 . 1 1 14 14 LYS N N 14 119.361 119.361 120.091 -0.730 19413 7004 1 9 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.659 0.103 19413 7005 1 9 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.941 -1.454 19413 7006 1 9 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.473 -0.570 19413 7007 1 9 . 1 1 14 14 LYS H H 14 7.714 7.714 8.217 -0.503 19413 7008 1 9 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.546 0.057 19413 7009 1 9 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.773 -0.512 19413 7010 1 9 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.087 2.610 19413 7011 1 9 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.248 0.114 19413 7012 1 9 . 1 1 16 16 ILE CA C 16 58.576 58.576 61.085 -2.509 19413 7013 1 9 . 1 1 16 16 ILE CB C 16 38.242 38.242 40.011 -1.769 19413 7014 1 9 . 1 1 17 17 ALA N N 17 130.287 130.287 127.199 3.088 19413 7015 1 9 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.418 -0.070 19413 7016 1 9 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.685 -0.035 19413 7017 1 9 . 1 1 17 17 ALA CB C 17 19.344 19.344 19.797 -0.453 19413 7018 1 9 . 1 1 17 17 ALA H H 17 8.396 8.396 8.300 0.096 19413 7019 1 9 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.363 -0.145 19413 7020 1 9 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.426 -0.025 19413 7021 1 9 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.314 1.078 19413 7022 1 9 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.628 -0.950 19413 7023 1 9 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.586 0.452 19413 7024 1 9 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.969 -2.003 19413 7025 1 9 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.664 -0.551 19413 7026 1 9 . 1 1 24 24 GLU N N 24 127.720 127.720 119.182 8.538 19413 7027 1 9 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.164 0.441 19413 7028 1 9 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.355 -1.917 19413 7029 1 9 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.654 1.050 19413 7030 1 9 . 1 1 24 24 GLU H H 24 8.973 8.973 8.116 0.857 19413 7031 1 9 . 1 1 25 25 PHE N N 25 121.108 121.108 120.366 0.742 19413 7032 1 9 . 1 1 25 25 PHE HA H 25 6.066 6.066 4.919 1.147 19413 7033 1 9 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.836 -0.891 19413 7034 1 9 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.793 1.213 19413 7035 1 9 . 1 1 25 25 PHE H H 25 9.266 9.266 8.906 0.360 19413 7036 1 9 . 1 1 26 26 PHE N N 26 120.125 120.125 119.924 0.201 19413 7037 1 9 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.823 -0.042 19413 7038 1 9 . 1 1 26 26 PHE CA C 26 54.838 54.838 57.055 -2.217 19413 7039 1 9 . 1 1 26 26 PHE CB C 26 43.604 43.604 43.110 0.494 19413 7040 1 9 . 1 1 26 26 PHE H H 26 8.957 8.957 8.205 0.752 19413 7041 1 9 . 1 1 27 27 SER N N 27 109.643 109.643 112.954 -3.311 19413 7042 1 9 . 1 1 27 27 SER HA H 27 3.584 3.584 4.381 -0.797 19413 7043 1 9 . 1 1 27 27 SER CA C 27 54.556 54.556 55.972 -1.416 19413 7044 1 9 . 1 1 27 27 SER CB C 27 64.711 64.711 65.087 -0.376 19413 7045 1 9 . 1 1 27 27 SER H H 27 6.543 6.543 8.277 -1.734 19413 7046 1 9 . 1 1 28 28 PHE N N 28 132.096 132.096 119.932 12.164 19413 7047 1 9 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.128 0.239 19413 7048 1 9 . 1 1 28 28 PHE CA C 28 62.530 62.530 60.699 1.831 19413 7049 1 9 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.892 -0.248 19413 7050 1 9 . 1 1 28 28 PHE H H 28 11.199 11.199 8.828 2.371 19413 7051 1 9 . 1 1 29 29 TYR N N 29 115.582 115.582 115.452 0.130 19413 7052 1 9 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.585 -0.216 19413 7053 1 9 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.889 0.956 19413 7054 1 9 . 1 1 29 29 TYR CB C 29 39.781 39.781 37.809 1.972 19413 7055 1 9 . 1 1 29 29 TYR H H 29 8.619 8.619 8.094 0.525 19413 7056 1 9 . 1 1 30 30 CYS N N 30 121.025 121.025 117.432 3.593 19413 7057 1 9 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.761 0.245 19413 7058 1 9 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.407 -2.948 19413 7059 1 9 . 1 1 30 30 CYS CB C 30 46.378 46.378 26.618 19.760 19413 7060 1 9 . 1 1 30 30 CYS H H 30 7.284 7.284 8.124 -0.840 19413 7061 1 9 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.556 0.521 19413 7062 1 9 . 1 1 31 31 PRO CA C 31 65.973 65.973 63.514 2.459 19413 7063 1 9 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.509 -0.301 19413 7064 1 9 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.164 0.440 19413 7065 1 9 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.697 -1.250 19413 7066 1 9 . 1 1 32 32 HIS CB C 32 30.054 30.054 27.797 2.257 19413 7067 1 9 . 1 1 33 33 CYS N N 33 117.365 117.365 120.120 -2.755 19413 7068 1 9 . 1 1 33 33 CYS HA H 33 4.539 4.539 3.960 0.579 19413 7069 1 9 . 1 1 33 33 CYS CA C 33 63.192 63.192 63.315 -0.123 19413 7070 1 9 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.073 7.770 19413 7071 1 9 . 1 1 33 33 CYS H H 33 8.921 8.921 8.219 0.702 19413 7072 1 9 . 1 1 34 34 TYR N N 34 123.491 123.491 120.590 2.901 19413 7073 1 9 . 1 1 34 34 TYR HA H 34 2.762 2.762 3.241 -0.479 19413 7074 1 9 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.042 -1.609 19413 7075 1 9 . 1 1 34 34 TYR CB C 34 37.485 37.485 37.835 -0.350 19413 7076 1 9 . 1 1 34 34 TYR H H 34 7.650 7.650 7.795 -0.145 19413 7077 1 9 . 1 1 35 35 GLN N N 35 118.639 118.639 117.421 1.218 19413 7078 1 9 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.817 -0.105 19413 7079 1 9 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.986 -0.576 19413 7080 1 9 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.251 -0.318 19413 7081 1 9 . 1 1 35 35 GLN H H 35 7.641 7.641 8.071 -0.430 19413 7082 1 9 . 1 1 36 36 PHE N N 36 121.254 121.254 116.952 4.302 19413 7083 1 9 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.194 -0.164 19413 7084 1 9 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.538 0.263 19413 7085 1 9 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.829 0.090 19413 7086 1 9 . 1 1 36 36 PHE H H 36 8.721 8.721 8.624 0.097 19413 7087 1 9 . 1 1 37 37 GLU N N 37 116.279 116.279 113.984 2.295 19413 7088 1 9 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.479 -0.152 19413 7089 1 9 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.628 2.156 19413 7090 1 9 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.408 0.448 19413 7091 1 9 . 1 1 37 37 GLU H H 37 7.705 7.705 7.598 0.107 19413 7092 1 9 . 1 1 38 38 GLU N N 38 112.285 112.285 116.981 -4.696 19413 7093 1 9 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.040 -0.034 19413 7094 1 9 . 1 1 38 38 GLU CA C 38 55.578 55.578 57.086 -1.508 19413 7095 1 9 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.811 -2.028 19413 7096 1 9 . 1 1 38 38 GLU H H 38 7.870 7.870 7.439 0.431 19413 7097 1 9 . 1 1 39 39 VAL N N 39 117.365 117.365 119.067 -1.702 19413 7098 1 9 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.948 0.060 19413 7099 1 9 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.859 0.106 19413 7100 1 9 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.396 -0.036 19413 7101 1 9 . 1 1 39 39 VAL H H 39 6.850 6.850 7.438 -0.588 19413 7102 1 9 . 1 1 40 40 LEU N N 40 116.098 116.098 116.744 -0.646 19413 7103 1 9 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.046 0.047 19413 7104 1 9 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.835 -0.736 19413 7105 1 9 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.083 1.030 19413 7106 1 9 . 1 1 40 40 LEU H H 40 8.171 8.171 7.782 0.389 19413 7107 1 9 . 1 1 41 41 HIS N N 41 111.930 111.930 114.829 -2.899 19413 7108 1 9 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.335 0.171 19413 7109 1 9 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.965 -1.498 19413 7110 1 9 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.744 -1.141 19413 7111 1 9 . 1 1 41 41 HIS H H 41 6.459 6.459 7.438 -0.979 19413 7112 1 9 . 1 1 42 42 VAL N N 42 120.465 120.465 120.860 -0.395 19413 7113 1 9 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.397 -0.369 19413 7114 1 9 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.242 1.730 19413 7115 1 9 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.189 -0.303 19413 7116 1 9 . 1 1 42 42 VAL H H 42 8.621 8.621 7.792 0.829 19413 7117 1 9 . 1 1 43 43 SER N N 43 113.968 113.968 114.637 -0.669 19413 7118 1 9 . 1 1 43 43 SER HA H 43 4.002 4.002 4.113 -0.111 19413 7119 1 9 . 1 1 43 43 SER CA C 43 61.242 61.242 61.846 -0.604 19413 7120 1 9 . 1 1 43 43 SER CB C 43 62.565 62.565 62.999 -0.434 19413 7121 1 9 . 1 1 43 43 SER H H 43 8.040 8.040 7.881 0.159 19413 7122 1 9 . 1 1 44 44 ASP N N 44 121.731 121.731 118.997 2.734 19413 7123 1 9 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.633 -0.219 19413 7124 1 9 . 1 1 44 44 ASP CA C 44 57.232 57.232 55.339 1.893 19413 7125 1 9 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.938 0.094 19413 7126 1 9 . 1 1 44 44 ASP H H 44 8.215 8.215 7.819 0.396 19413 7127 1 9 . 1 1 45 45 ASN N N 45 118.906 118.906 118.650 0.256 19413 7128 1 9 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.506 -0.234 19413 7129 1 9 . 1 1 45 45 ASN CA C 45 57.322 57.322 55.931 1.391 19413 7130 1 9 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.914 0.713 19413 7131 1 9 . 1 1 45 45 ASN H H 45 7.860 7.860 7.634 0.226 19413 7132 1 9 . 1 1 46 46 VAL N N 46 119.934 119.934 120.493 -0.559 19413 7133 1 9 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.720 -0.255 19413 7134 1 9 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.486 0.315 19413 7135 1 9 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.628 -0.279 19413 7136 1 9 . 1 1 46 46 VAL H H 46 8.583 8.583 8.659 -0.076 19413 7137 1 9 . 1 1 47 47 ARG N N 47 119.655 119.655 119.789 -0.134 19413 7138 1 9 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.968 -0.147 19413 7139 1 9 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.499 0.302 19413 7140 1 9 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.863 0.474 19413 7141 1 9 . 1 1 47 47 ARG H H 47 8.522 8.522 7.785 0.737 19413 7142 1 9 . 1 1 48 48 GLN N N 48 115.072 115.072 117.103 -2.031 19413 7143 1 9 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.218 -0.100 19413 7144 1 9 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.845 -0.116 19413 7145 1 9 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.645 0.365 19413 7146 1 9 . 1 1 48 48 GLN H H 48 7.605 7.605 7.868 -0.263 19413 7147 1 9 . 1 1 49 49 LYS N N 49 116.858 116.858 116.737 0.121 19413 7148 1 9 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.466 -0.044 19413 7149 1 9 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.426 -0.621 19413 7150 1 9 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.763 -0.115 19413 7151 1 9 . 1 1 49 49 LYS H H 49 7.460 7.460 7.887 -0.427 19413 7152 1 9 . 1 1 50 50 LEU N N 50 119.786 119.786 122.829 -3.043 19413 7153 1 9 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.305 0.094 19413 7154 1 9 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.725 -0.797 19413 7155 1 9 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.649 -0.695 19413 7156 1 9 . 1 1 50 50 LEU H H 50 7.215 7.215 7.221 -0.006 19413 7157 1 9 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.617 -0.141 19413 7158 1 9 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.158 0.114 19413 7159 1 9 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.509 -1.055 19413 7160 1 9 . 1 1 52 52 GLU N N 52 126.400 126.400 119.324 7.076 19413 7161 1 9 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.182 -0.082 19413 7162 1 9 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.142 0.973 19413 7163 1 9 . 1 1 52 52 GLU CB C 52 29.336 29.336 27.735 1.601 19413 7164 1 9 . 1 1 52 52 GLU H H 52 8.935 8.935 8.709 0.226 19413 7165 1 9 . 1 1 53 53 GLY N N 53 113.671 113.671 108.814 4.857 19413 7166 1 9 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.447 -0.601 19413 7167 1 9 . 1 1 53 53 GLY H H 53 8.948 8.948 7.668 1.280 19413 7168 1 9 . 1 1 54 54 THR N N 54 118.129 118.129 116.557 1.572 19413 7169 1 9 . 1 1 54 54 THR HA H 54 4.161 4.161 4.600 -0.439 19413 7170 1 9 . 1 1 54 54 THR CA C 54 63.707 63.707 61.203 2.504 19413 7171 1 9 . 1 1 54 54 THR CB C 54 68.784 68.784 69.772 -0.989 19413 7172 1 9 . 1 1 54 54 THR H H 54 7.696 7.696 7.538 0.158 19413 7173 1 9 . 1 1 55 55 LYS N N 55 129.892 129.892 123.074 6.818 19413 7174 1 9 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.242 0.133 19413 7175 1 9 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.778 -0.943 19413 7176 1 9 . 1 1 55 55 LYS CB C 55 33.448 33.448 33.141 0.307 19413 7177 1 9 . 1 1 55 55 LYS H H 55 8.757 8.757 8.122 0.635 19413 7178 1 9 . 1 1 56 56 MET N N 56 125.391 125.391 124.675 0.716 19413 7179 1 9 . 1 1 56 56 MET HA H 56 5.258 5.258 4.745 0.513 19413 7180 1 9 . 1 1 56 56 MET CA C 56 54.436 54.436 56.469 -2.033 19413 7181 1 9 . 1 1 56 56 MET CB C 56 34.394 34.394 32.855 1.539 19413 7182 1 9 . 1 1 56 56 MET H H 56 8.512 8.512 8.671 -0.159 19413 7183 1 9 . 1 1 57 57 THR N N 57 124.711 124.711 119.465 5.246 19413 7184 1 9 . 1 1 57 57 THR HA H 57 4.390 4.390 4.669 -0.279 19413 7185 1 9 . 1 1 57 57 THR CA C 57 61.942 61.942 60.313 1.629 19413 7186 1 9 . 1 1 57 57 THR CB C 57 70.952 70.952 71.359 -0.407 19413 7187 1 9 . 1 1 57 57 THR H H 57 8.830 8.830 8.611 0.219 19413 7188 1 9 . 1 1 58 58 LYS N N 58 126.113 126.113 123.875 2.238 19413 7189 1 9 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.028 0.254 19413 7190 1 9 . 1 1 58 58 LYS CA C 58 54.501 54.501 56.863 -2.362 19413 7191 1 9 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.503 0.914 19413 7192 1 9 . 1 1 58 58 LYS H H 58 8.739 8.739 8.657 0.082 19413 7193 1 9 . 1 1 59 59 TYR N N 59 127.472 127.472 124.888 2.584 19413 7194 1 9 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.911 0.715 19413 7195 1 9 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.883 -4.058 19413 7196 1 9 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.509 0.176 19413 7197 1 9 . 1 1 59 59 TYR H H 59 9.524 9.524 9.172 0.352 19413 7198 1 9 . 1 1 60 60 HIS N N 60 123.656 123.656 117.283 6.373 19413 7199 1 9 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.476 -0.092 19413 7200 1 9 . 1 1 60 60 HIS CA C 60 55.467 55.467 52.190 3.277 19413 7201 1 9 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.063 -0.244 19413 7202 1 9 . 1 1 60 60 HIS H H 60 9.284 9.284 8.310 0.974 19413 7203 1 9 . 1 1 61 61 VAL N N 61 112.397 112.397 114.142 -1.745 19413 7204 1 9 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.709 0.028 19413 7205 1 9 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.723 -1.644 19413 7206 1 9 . 1 1 61 61 VAL CB C 61 33.885 33.885 36.083 -2.198 19413 7207 1 9 . 1 1 61 61 VAL H H 61 6.262 6.262 7.938 -1.676 19413 7208 1 9 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.390 -0.349 19413 7209 1 9 . 1 1 62 62 GLU CA C 62 56.328 56.328 57.553 -1.225 19413 7210 1 9 . 1 1 62 62 GLU CB C 62 29.752 29.752 28.976 0.776 19413 7211 1 9 . 1 1 63 63 PHE N N 63 111.215 111.215 119.520 -8.305 19413 7212 1 9 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.401 0.170 19413 7213 1 9 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.102 -1.393 19413 7214 1 9 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.295 -1.690 19413 7215 1 9 . 1 1 63 63 PHE H H 63 6.419 6.419 8.286 -1.867 19413 7216 1 9 . 1 1 64 64 LEU N N 64 119.701 119.701 118.660 1.041 19413 7217 1 9 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.462 0.233 19413 7218 1 9 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.266 -0.454 19413 7219 1 9 . 1 1 64 64 LEU CB C 64 44.338 44.338 45.572 -1.234 19413 7220 1 9 . 1 1 64 64 LEU H H 64 6.396 6.396 7.423 -1.027 19413 7221 1 9 . 1 1 65 65 GLY N N 65 108.957 108.957 107.698 1.259 19413 7222 1 9 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.872 -0.694 19413 7223 1 9 . 1 1 65 65 GLY H H 65 8.084 8.084 7.956 0.128 19413 7224 1 9 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.274 0.137 19413 7225 1 9 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.794 0.201 19413 7226 1 9 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.087 -0.296 19413 7227 1 9 . 1 1 67 67 LEU N N 67 114.479 114.479 118.805 -4.326 19413 7228 1 9 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.782 0.685 19413 7229 1 9 . 1 1 67 67 LEU CA C 67 52.893 52.893 53.881 -0.988 19413 7230 1 9 . 1 1 67 67 LEU CB C 67 40.438 40.438 41.169 -0.731 19413 7231 1 9 . 1 1 67 67 LEU H H 67 7.484 7.484 7.937 -0.453 19413 7232 1 9 . 1 1 68 68 GLY N N 68 108.957 108.957 109.828 -0.871 19413 7233 1 9 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.759 1.748 19413 7234 1 9 . 1 1 68 68 GLY H H 68 7.659 7.659 8.070 -0.411 19413 7235 1 9 . 1 1 69 69 LYS N N 69 124.459 124.459 120.514 3.945 19413 7236 1 9 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.067 -0.021 19413 7237 1 9 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.517 2.519 19413 7238 1 9 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.099 -0.507 19413 7239 1 9 . 1 1 69 69 LYS H H 69 9.149 9.149 8.640 0.509 19413 7240 1 9 . 1 1 70 70 ASP N N 70 122.631 122.631 118.190 4.441 19413 7241 1 9 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.546 0.169 19413 7242 1 9 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.308 -0.413 19413 7243 1 9 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.667 1.490 19413 7244 1 9 . 1 1 70 70 ASP H H 70 8.519 8.519 8.123 0.396 19413 7245 1 9 . 1 1 71 71 LEU N N 71 119.276 119.276 119.704 -0.428 19413 7246 1 9 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.957 0.280 19413 7247 1 9 . 1 1 71 71 LEU CA C 71 57.277 57.277 57.901 -0.624 19413 7248 1 9 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.819 1.258 19413 7249 1 9 . 1 1 71 71 LEU H H 71 9.421 9.421 8.432 0.989 19413 7250 1 9 . 1 1 72 72 THR N N 72 119.204 119.204 111.392 7.812 19413 7251 1 9 . 1 1 72 72 THR HA H 72 4.033 4.033 3.730 0.303 19413 7252 1 9 . 1 1 72 72 THR CA C 72 67.403 67.403 64.386 3.017 19413 7253 1 9 . 1 1 72 72 THR CB C 72 68.170 68.170 68.100 0.070 19413 7254 1 9 . 1 1 72 72 THR H H 72 7.762 7.762 7.726 0.036 19413 7255 1 9 . 1 1 73 73 GLN N N 73 125.845 125.845 119.848 5.997 19413 7256 1 9 . 1 1 73 73 GLN HA H 73 3.663 3.663 4.352 -0.689 19413 7257 1 9 . 1 1 73 73 GLN CA C 73 59.403 59.403 56.838 2.565 19413 7258 1 9 . 1 1 73 73 GLN CB C 73 25.559 25.559 29.223 -3.664 19413 7259 1 9 . 1 1 73 73 GLN H H 73 7.822 7.822 7.819 0.003 19413 7260 1 9 . 1 1 74 74 ALA N N 74 123.013 123.013 123.536 -0.523 19413 7261 1 9 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.499 -0.366 19413 7262 1 9 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.969 -0.065 19413 7263 1 9 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.421 0.729 19413 7264 1 9 . 1 1 74 74 ALA H H 74 8.966 8.966 8.316 0.650 19413 7265 1 9 . 1 1 75 75 TRP N N 75 120.717 120.717 121.065 -0.348 19413 7266 1 9 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.508 0.391 19413 7267 1 9 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.954 -1.882 19413 7268 1 9 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.920 -0.329 19413 7269 1 9 . 1 1 75 75 TRP H H 75 8.932 8.932 7.930 1.002 19413 7270 1 9 . 1 1 76 76 ALA N N 76 119.394 119.394 121.496 -2.102 19413 7271 1 9 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.901 0.074 19413 7272 1 9 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.114 -0.235 19413 7273 1 9 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.930 2.235 19413 7274 1 9 . 1 1 76 76 ALA H H 76 7.650 7.650 8.679 -1.029 19413 7275 1 9 . 1 1 77 77 VAL N N 77 119.658 119.658 118.843 0.815 19413 7276 1 9 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.614 -0.390 19413 7277 1 9 . 1 1 77 77 VAL CA C 77 66.908 66.908 67.334 -0.426 19413 7278 1 9 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.885 -1.768 19413 7279 1 9 . 1 1 77 77 VAL H H 77 8.074 8.074 8.092 -0.018 19413 7280 1 9 . 1 1 78 78 ALA N N 78 121.951 121.951 121.721 0.230 19413 7281 1 9 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.173 -0.149 19413 7282 1 9 . 1 1 78 78 ALA CA C 78 54.841 54.841 54.863 -0.022 19413 7283 1 9 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.041 -0.542 19413 7284 1 9 . 1 1 78 78 ALA H H 78 8.421 8.421 7.630 0.791 19413 7285 1 9 . 1 1 79 79 ILE N N 79 118.384 118.384 119.087 -0.703 19413 7286 1 9 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.608 0.008 19413 7287 1 9 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.769 -0.785 19413 7288 1 9 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.589 0.607 19413 7289 1 9 . 1 1 79 79 ILE H H 79 8.122 8.122 8.167 -0.045 19413 7290 1 9 . 1 1 80 80 ALA N N 80 124.708 124.708 122.234 2.474 19413 7291 1 9 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.102 -0.124 19413 7292 1 9 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.825 0.090 19413 7293 1 9 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.825 -0.720 19413 7294 1 9 . 1 1 80 80 ALA H H 80 8.694 8.694 7.994 0.700 19413 7295 1 9 . 1 1 81 81 LEU N N 81 114.303 114.303 117.933 -3.630 19413 7296 1 9 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.336 0.044 19413 7297 1 9 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.643 -0.061 19413 7298 1 9 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.538 0.674 19413 7299 1 9 . 1 1 81 81 LEU H H 81 8.469 8.469 7.593 0.876 19413 7300 1 9 . 1 1 82 82 GLY N N 82 112.196 112.196 108.448 3.748 19413 7301 1 9 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.822 1.136 19413 7302 1 9 . 1 1 82 82 GLY H H 82 7.955 7.955 7.730 0.225 19413 7303 1 9 . 1 1 83 83 VAL N N 83 109.426 109.426 111.172 -1.746 19413 7304 1 9 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.484 0.436 19413 7305 1 9 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.420 -1.238 19413 7306 1 9 . 1 1 83 83 VAL CB C 83 31.441 31.441 33.086 -1.645 19413 7307 1 9 . 1 1 83 83 VAL H H 83 8.267 8.267 7.947 0.320 19413 7308 1 9 . 1 1 84 84 GLU N N 84 127.081 127.081 122.944 4.137 19413 7309 1 9 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.609 -0.025 19413 7310 1 9 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.812 0.543 19413 7311 1 9 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.708 0.262 19413 7312 1 9 . 1 1 84 84 GLU H H 84 10.566 10.566 8.455 2.111 19413 7313 1 9 . 1 1 85 85 ASP N N 85 117.467 117.467 115.953 1.514 19413 7314 1 9 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.401 0.186 19413 7315 1 9 . 1 1 85 85 ASP CA C 85 56.279 56.279 55.987 0.291 19413 7316 1 9 . 1 1 85 85 ASP CB C 85 39.732 39.732 39.629 0.103 19413 7317 1 9 . 1 1 85 85 ASP H H 85 8.946 8.946 8.841 0.105 19413 7318 1 9 . 1 1 86 86 LYS N N 86 119.121 119.121 117.515 1.606 19413 7319 1 9 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.326 0.093 19413 7320 1 9 . 1 1 86 86 LYS CA C 86 57.179 57.179 56.934 0.245 19413 7321 1 9 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.703 -0.277 19413 7322 1 9 . 1 1 86 86 LYS H H 86 7.745 7.745 7.823 -0.078 19413 7323 1 9 . 1 1 87 87 ILE N N 87 108.193 108.193 112.702 -4.509 19413 7324 1 9 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.424 -0.186 19413 7325 1 9 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.390 -1.070 19413 7326 1 9 . 1 1 87 87 ILE CB C 87 40.000 40.000 37.741 2.259 19413 7327 1 9 . 1 1 87 87 ILE H H 87 7.343 7.343 7.636 -0.293 19413 7328 1 9 . 1 1 88 88 THR N N 88 119.455 119.455 118.323 1.132 19413 7329 1 9 . 1 1 88 88 THR HA H 88 4.053 4.053 4.267 -0.214 19413 7330 1 9 . 1 1 88 88 THR CA C 88 69.780 69.780 66.069 3.711 19413 7331 1 9 . 1 1 88 88 THR CB C 88 68.491 68.491 69.150 -0.659 19413 7332 1 9 . 1 1 88 88 THR H H 88 7.746 7.746 7.795 -0.049 19413 7333 1 9 . 1 1 89 89 ALA N N 89 123.122 123.122 123.914 -0.792 19413 7334 1 9 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.378 0.222 19413 7335 1 9 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.698 0.593 19413 7336 1 9 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.671 -1.474 19413 7337 1 9 . 1 1 89 89 ALA H H 89 9.125 9.125 8.790 0.335 19413 7338 1 9 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.321 0.095 19413 7339 1 9 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.213 0.008 19413 7340 1 9 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.227 0.184 19413 7341 1 9 . 1 1 91 91 MET N N 91 119.468 119.468 118.034 1.434 19413 7342 1 9 . 1 1 91 91 MET HA H 91 4.370 4.370 4.141 0.229 19413 7343 1 9 . 1 1 91 91 MET CA C 91 56.901 56.901 58.107 -1.206 19413 7344 1 9 . 1 1 91 91 MET CB C 91 30.059 30.059 31.865 -1.806 19413 7345 1 9 . 1 1 91 91 MET H H 91 8.176 8.176 7.799 0.377 19413 7346 1 9 . 1 1 92 92 PHE N N 92 120.720 120.720 118.661 2.059 19413 7347 1 9 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.270 0.248 19413 7348 1 9 . 1 1 92 92 PHE CA C 92 63.883 63.883 61.821 2.062 19413 7349 1 9 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.299 1.025 19413 7350 1 9 . 1 1 92 92 PHE H H 92 8.650 8.650 7.822 0.828 19413 7351 1 9 . 1 1 93 93 GLU N N 93 117.705 117.705 119.751 -2.046 19413 7352 1 9 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.131 -0.065 19413 7353 1 9 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.502 -0.099 19413 7354 1 9 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.737 -0.095 19413 7355 1 9 . 1 1 93 93 GLU H H 93 8.240 8.240 8.401 -0.161 19413 7356 1 9 . 1 1 94 94 ALA N N 94 123.067 123.067 120.252 2.815 19413 7357 1 9 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.734 -0.283 19413 7358 1 9 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.873 0.122 19413 7359 1 9 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.477 -0.474 19413 7360 1 9 . 1 1 94 94 ALA H H 94 8.431 8.431 7.950 0.481 19413 7361 1 9 . 1 1 95 95 VAL N N 95 115.582 115.582 115.593 -0.011 19413 7362 1 9 . 1 1 95 95 VAL HA H 95 3.722 3.722 4.015 -0.293 19413 7363 1 9 . 1 1 95 95 VAL CA C 95 65.804 65.804 63.954 1.850 19413 7364 1 9 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.924 -1.185 19413 7365 1 9 . 1 1 95 95 VAL H H 95 8.467 8.467 7.643 0.824 19413 7366 1 9 . 1 1 96 96 GLN N N 96 113.295 113.295 117.489 -4.194 19413 7367 1 9 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.415 0.136 19413 7368 1 9 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.381 0.845 19413 7369 1 9 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.557 0.122 19413 7370 1 9 . 1 1 96 96 GLN H H 96 8.184 8.184 8.383 -0.199 19413 7371 1 9 . 1 1 97 97 LYS N N 97 118.621 118.621 120.545 -1.924 19413 7372 1 9 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.207 0.480 19413 7373 1 9 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.699 -1.540 19413 7374 1 9 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.109 -0.567 19413 7375 1 9 . 1 1 97 97 LYS H H 97 8.231 8.231 7.786 0.445 19413 7376 1 9 . 1 1 98 98 THR N N 98 110.486 110.486 108.793 1.693 19413 7377 1 9 . 1 1 98 98 THR HA H 98 4.285 4.285 4.259 0.026 19413 7378 1 9 . 1 1 98 98 THR CA C 98 62.420 62.420 63.201 -0.781 19413 7379 1 9 . 1 1 98 98 THR CB C 98 68.343 68.343 69.765 -1.422 19413 7380 1 9 . 1 1 98 98 THR H H 98 8.612 8.612 8.179 0.433 19413 7381 1 9 . 1 1 99 99 GLN N N 99 115.751 115.751 115.454 0.297 19413 7382 1 9 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.107 0.078 19413 7383 1 9 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.043 -0.057 19413 7384 1 9 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.399 -0.776 19413 7385 1 9 . 1 1 99 99 GLN H H 99 6.979 6.979 8.142 -1.163 19413 7386 1 9 . 1 1 100 100 THR N N 100 108.660 108.660 112.303 -3.643 19413 7387 1 9 . 1 1 100 100 THR HA H 100 4.350 4.350 4.153 0.197 19413 7388 1 9 . 1 1 100 100 THR CA C 100 61.035 61.035 64.264 -3.229 19413 7389 1 9 . 1 1 100 100 THR CB C 100 68.306 68.306 69.208 -0.902 19413 7390 1 9 . 1 1 100 100 THR H H 100 8.362 8.362 7.546 0.816 19413 7391 1 9 . 1 1 101 101 VAL N N 101 121.417 121.417 123.119 -1.702 19413 7392 1 9 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.757 0.436 19413 7393 1 9 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.198 -2.231 19413 7394 1 9 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.424 0.925 19413 7395 1 9 . 1 1 101 101 VAL H H 101 7.376 7.376 7.706 -0.330 19413 7396 1 9 . 1 1 102 102 GLN N N 102 127.472 127.472 126.079 1.393 19413 7397 1 9 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.565 -0.001 19413 7398 1 9 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.887 -0.771 19413 7399 1 9 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.746 -0.978 19413 7400 1 9 . 1 1 102 102 GLN H H 102 9.583 9.583 8.307 1.276 19413 7401 1 9 . 1 1 103 103 SER N N 103 116.698 116.698 114.164 2.534 19413 7402 1 9 . 1 1 103 103 SER HA H 103 4.883 4.883 4.674 0.209 19413 7403 1 9 . 1 1 103 103 SER CA C 103 56.423 56.423 56.761 -0.338 19413 7404 1 9 . 1 1 103 103 SER CB C 103 66.834 66.834 65.262 1.572 19413 7405 1 9 . 1 1 103 103 SER H H 103 8.539 8.539 8.358 0.181 19413 7406 1 9 . 1 1 104 104 VAL N N 104 120.375 120.375 122.594 -2.219 19413 7407 1 9 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.533 0.207 19413 7408 1 9 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.436 -0.680 19413 7409 1 9 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.392 -0.463 19413 7410 1 9 . 1 1 104 104 VAL H H 104 8.929 8.929 8.629 0.300 19413 7411 1 9 . 1 1 105 105 ALA N N 105 125.255 125.255 119.373 5.882 19413 7412 1 9 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.015 -0.015 19413 7413 1 9 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.095 0.811 19413 7414 1 9 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.628 0.425 19413 7415 1 9 . 1 1 105 105 ALA H H 105 8.099 8.099 8.239 -0.140 19413 7416 1 9 . 1 1 106 106 ASP N N 106 118.317 118.317 117.579 0.738 19413 7417 1 9 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.724 -0.349 19413 7418 1 9 . 1 1 106 106 ASP CA C 106 56.664 56.664 55.867 0.797 19413 7419 1 9 . 1 1 106 106 ASP CB C 106 42.767 42.767 42.401 0.366 19413 7420 1 9 . 1 1 106 106 ASP H H 106 7.603 7.603 7.998 -0.395 19413 7421 1 9 . 1 1 107 107 ILE N N 107 120.210 120.210 119.644 0.566 19413 7422 1 9 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.947 -0.616 19413 7423 1 9 . 1 1 107 107 ILE CA C 107 65.609 65.609 63.640 1.969 19413 7424 1 9 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.407 0.483 19413 7425 1 9 . 1 1 107 107 ILE H H 107 7.342 7.342 7.505 -0.163 19413 7426 1 9 . 1 1 108 108 ARG N N 108 119.234 119.234 119.847 -0.613 19413 7427 1 9 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.579 -0.782 19413 7428 1 9 . 1 1 108 108 ARG CA C 108 58.656 58.656 57.900 0.756 19413 7429 1 9 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.528 1.314 19413 7430 1 9 . 1 1 108 108 ARG H H 108 6.677 6.677 7.578 -0.901 19413 7431 1 9 . 1 1 109 109 LYS N N 109 117.662 117.662 120.341 -2.679 19413 7432 1 9 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.034 -0.188 19413 7433 1 9 . 1 1 109 109 LYS CA C 109 59.219 59.219 58.881 0.338 19413 7434 1 9 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.189 0.785 19413 7435 1 9 . 1 1 109 109 LYS H H 109 7.164 7.164 8.045 -0.881 19413 7436 1 9 . 1 1 110 110 VAL N N 110 118.257 118.257 118.285 -0.028 19413 7437 1 9 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.698 -0.057 19413 7438 1 9 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.955 -0.893 19413 7439 1 9 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.512 -0.288 19413 7440 1 9 . 1 1 110 110 VAL H H 110 7.269 7.269 7.567 -0.298 19413 7441 1 9 . 1 1 111 111 PHE N N 111 118.699 118.699 118.472 0.227 19413 7442 1 9 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.068 -0.158 19413 7443 1 9 . 1 1 111 111 PHE CA C 111 61.480 61.480 61.944 -0.464 19413 7444 1 9 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.255 0.168 19413 7445 1 9 . 1 1 111 111 PHE H H 111 7.411 7.411 7.600 -0.189 19413 7446 1 9 . 1 1 112 112 VAL N N 112 121.527 121.527 119.983 1.544 19413 7447 1 9 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.924 0.687 19413 7448 1 9 . 1 1 112 112 VAL CA C 112 64.719 64.719 66.021 -1.302 19413 7449 1 9 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.544 -0.173 19413 7450 1 9 . 1 1 112 112 VAL H H 112 8.424 8.424 8.452 -0.028 19413 7451 1 9 . 1 1 113 113 ASP N N 113 124.032 124.032 121.470 2.562 19413 7452 1 9 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.425 0.022 19413 7453 1 9 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.958 -0.280 19413 7454 1 9 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.371 -1.091 19413 7455 1 9 . 1 1 113 113 ASP H H 113 9.048 9.048 8.575 0.473 19413 7456 1 9 . 1 1 114 114 ALA N N 114 121.399 121.399 118.158 3.241 19413 7457 1 9 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.279 0.188 19413 7458 1 9 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.387 -0.509 19413 7459 1 9 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.155 -0.542 19413 7460 1 9 . 1 1 114 114 ALA H H 114 7.505 7.505 7.764 -0.259 19413 7461 1 9 . 1 1 115 115 GLY N N 115 105.755 105.755 104.843 0.912 19413 7462 1 9 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.552 0.551 19413 7463 1 9 . 1 1 115 115 GLY H H 115 7.895 7.895 7.726 0.169 19413 7464 1 9 . 1 1 116 116 VAL N N 116 124.542 124.542 120.291 4.251 19413 7465 1 9 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.183 -0.163 19413 7466 1 9 . 1 1 116 116 VAL CA C 116 61.601 61.601 61.114 0.487 19413 7467 1 9 . 1 1 116 116 VAL CB C 116 31.739 31.739 33.642 -1.903 19413 7468 1 9 . 1 1 116 116 VAL H H 116 8.095 8.095 7.467 0.628 19413 7469 1 9 . 1 1 117 117 LYS N N 117 128.363 128.363 129.047 -0.684 19413 7470 1 9 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.241 -0.058 19413 7471 1 9 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.102 -0.017 19413 7472 1 9 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.714 -0.902 19413 7473 1 9 . 1 1 117 117 LYS H H 117 9.102 9.102 9.070 0.032 19413 7474 1 9 . 1 1 118 118 GLY N N 118 116.049 116.049 114.490 1.559 19413 7475 1 9 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.131 0.537 19413 7476 1 9 . 1 1 118 118 GLY H H 118 9.300 9.300 9.095 0.205 19413 7477 1 9 . 1 1 119 119 GLU N N 119 118.512 118.512 119.449 -0.937 19413 7478 1 9 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.082 0.144 19413 7479 1 9 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.991 0.532 19413 7480 1 9 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.074 -0.261 19413 7481 1 9 . 1 1 119 119 GLU H H 119 9.501 9.501 8.715 0.786 19413 7482 1 9 . 1 1 120 120 ASP N N 120 121.262 121.262 119.492 1.770 19413 7483 1 9 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.523 0.056 19413 7484 1 9 . 1 1 120 120 ASP CA C 120 56.559 56.559 55.701 0.858 19413 7485 1 9 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.674 -2.042 19413 7486 1 9 . 1 1 120 120 ASP H H 120 7.088 7.088 7.546 -0.458 19413 7487 1 9 . 1 1 121 121 TYR N N 121 123.619 123.619 121.835 1.784 19413 7488 1 9 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.065 -0.343 19413 7489 1 9 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.165 0.986 19413 7490 1 9 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.166 -0.164 19413 7491 1 9 . 1 1 121 121 TYR H H 121 7.986 7.986 7.910 0.076 19413 7492 1 9 . 1 1 122 122 ASP N N 122 119.702 119.702 118.138 1.564 19413 7493 1 9 . 1 1 122 122 ASP HA H 122 4.254 4.254 3.545 0.709 19413 7494 1 9 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.656 1.466 19413 7495 1 9 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.413 -0.802 19413 7496 1 9 . 1 1 122 122 ASP H H 122 8.812 8.812 7.785 1.027 19413 7497 1 9 . 1 1 123 123 ALA N N 123 121.138 121.138 121.076 0.062 19413 7498 1 9 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.255 -0.029 19413 7499 1 9 . 1 1 123 123 ALA CA C 123 54.230 54.230 53.983 0.247 19413 7500 1 9 . 1 1 123 123 ALA CB C 123 18.126 18.126 18.977 -0.851 19413 7501 1 9 . 1 1 123 123 ALA H H 123 7.696 7.696 7.059 0.637 19413 7502 1 9 . 1 1 124 124 ALA N N 124 120.299 120.299 122.446 -2.147 19413 7503 1 9 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.040 0.066 19413 7504 1 9 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.688 -0.362 19413 7505 1 9 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.248 0.317 19413 7506 1 9 . 1 1 124 124 ALA H H 124 7.935 7.935 8.219 -0.284 19413 7507 1 9 . 1 1 125 125 TRP N N 125 121.357 121.357 118.992 2.365 19413 7508 1 9 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.381 -0.905 19413 7509 1 9 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.577 0.886 19413 7510 1 9 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.230 -0.853 19413 7511 1 9 . 1 1 125 125 TRP H H 125 8.948 8.948 8.482 0.466 19413 7512 1 9 . 1 1 126 126 ASN N N 126 110.817 110.817 113.205 -2.388 19413 7513 1 9 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.793 0.050 19413 7514 1 9 . 1 1 126 126 ASN CA C 126 52.522 52.522 53.212 -0.689 19413 7515 1 9 . 1 1 126 126 ASN CB C 126 40.070 40.070 40.383 -0.312 19413 7516 1 9 . 1 1 126 126 ASN H H 126 7.024 7.024 7.773 -0.749 19413 7517 1 9 . 1 1 127 127 SER N N 127 116.650 116.650 115.734 0.916 19413 7518 1 9 . 1 1 127 127 SER HA H 127 4.472 4.472 4.185 0.287 19413 7519 1 9 . 1 1 127 127 SER CA C 127 58.535 58.535 55.639 2.896 19413 7520 1 9 . 1 1 127 127 SER CB C 127 65.513 65.513 64.334 1.179 19413 7521 1 9 . 1 1 127 127 SER H H 127 7.831 7.831 7.614 0.217 19413 7522 1 9 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.308 -0.030 19413 7523 1 9 . 1 1 128 128 PHE CA C 128 61.055 61.055 59.211 1.844 19413 7524 1 9 . 1 1 128 128 PHE CB C 128 38.368 38.368 37.479 0.889 19413 7525 1 9 . 1 1 129 129 VAL N N 129 120.058 120.058 120.727 -0.669 19413 7526 1 9 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.688 0.026 19413 7527 1 9 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.242 -0.570 19413 7528 1 9 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.041 0.737 19413 7529 1 9 . 1 1 129 129 VAL H H 129 8.340 8.340 7.964 0.376 19413 7530 1 9 . 1 1 130 130 VAL N N 130 122.552 122.552 118.925 3.627 19413 7531 1 9 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.705 -0.194 19413 7532 1 9 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.535 0.299 19413 7533 1 9 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.288 -0.064 19413 7534 1 9 . 1 1 130 130 VAL H H 130 7.163 7.163 8.131 -0.968 19413 7535 1 9 . 1 1 131 131 LYS N N 131 122.079 122.079 120.095 1.984 19413 7536 1 9 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.917 -0.161 19413 7537 1 9 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.197 0.537 19413 7538 1 9 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.648 -0.131 19413 7539 1 9 . 1 1 131 131 LYS H H 131 7.852 7.852 7.621 0.231 19413 7540 1 9 . 1 1 132 132 SER N N 132 115.836 115.836 115.237 0.599 19413 7541 1 9 . 1 1 132 132 SER HA H 132 4.155 4.155 4.303 -0.148 19413 7542 1 9 . 1 1 132 132 SER CA C 132 61.022 61.022 60.943 0.079 19413 7543 1 9 . 1 1 132 132 SER CB C 132 62.309 62.309 63.285 -0.976 19413 7544 1 9 . 1 1 132 132 SER H H 132 8.258 8.258 8.349 -0.091 19413 7545 1 9 . 1 1 133 133 LEU N N 133 124.754 124.754 123.511 1.243 19413 7546 1 9 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.989 0.208 19413 7547 1 9 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.805 -0.241 19413 7548 1 9 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.008 2.153 19413 7549 1 9 . 1 1 133 133 LEU H H 133 8.140 8.140 7.525 0.615 19413 7550 1 9 . 1 1 134 134 VAL N N 134 123.461 123.461 119.394 4.067 19413 7551 1 9 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.835 -0.554 19413 7552 1 9 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.405 2.452 19413 7553 1 9 . 1 1 134 134 VAL CB C 134 30.856 30.856 30.880 -0.024 19413 7554 1 9 . 1 1 134 134 VAL H H 134 8.718 8.718 8.624 0.094 19413 7555 1 9 . 1 1 135 135 ALA N N 135 121.739 121.739 120.972 0.767 19413 7556 1 9 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.958 0.206 19413 7557 1 9 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.251 -0.322 19413 7558 1 9 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.285 -0.859 19413 7559 1 9 . 1 1 135 135 ALA H H 135 7.513 7.513 7.691 -0.178 19413 7560 1 9 . 1 1 136 136 GLN N N 136 119.033 119.033 116.809 2.224 19413 7561 1 9 . 1 1 136 136 GLN HA H 136 4.076 4.076 4.035 0.041 19413 7562 1 9 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.534 0.575 19413 7563 1 9 . 1 1 136 136 GLN CB C 136 29.085 29.085 27.942 1.143 19413 7564 1 9 . 1 1 136 136 GLN H H 136 8.473 8.473 7.903 0.570 19413 7565 1 9 . 1 1 137 137 GLN N N 137 119.734 119.734 116.973 2.761 19413 7566 1 9 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.458 -0.946 19413 7567 1 9 . 1 1 137 137 GLN CA C 137 59.882 59.882 57.013 2.869 19413 7568 1 9 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.239 2.604 19413 7569 1 9 . 1 1 137 137 GLN H H 137 7.995 7.995 7.659 0.336 19413 7570 1 9 . 1 1 138 138 GLU N N 138 121.309 121.309 121.010 0.299 19413 7571 1 9 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.079 -0.144 19413 7572 1 9 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.430 -0.453 19413 7573 1 9 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.824 -0.859 19413 7574 1 9 . 1 1 138 138 GLU H H 138 8.291 8.291 8.532 -0.241 19413 7575 1 9 . 1 1 139 139 LYS N N 139 122.121 122.121 120.153 1.968 19413 7576 1 9 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.044 0.073 19413 7577 1 9 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.579 -0.655 19413 7578 1 9 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.547 0.044 19413 7579 1 9 . 1 1 139 139 LYS H H 139 8.603 8.603 8.336 0.267 19413 7580 1 9 . 1 1 140 140 ALA N N 140 120.286 120.286 118.351 1.935 19413 7581 1 9 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.472 -0.062 19413 7582 1 9 . 1 1 140 140 ALA CA C 140 55.063 55.063 53.695 1.368 19413 7583 1 9 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.406 0.040 19413 7584 1 9 . 1 1 140 140 ALA H H 140 8.140 8.140 7.926 0.214 19413 7585 1 9 . 1 1 141 141 ALA N N 141 116.994 116.994 121.094 -4.100 19413 7586 1 9 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.271 -0.624 19413 7587 1 9 . 1 1 141 141 ALA CA C 141 54.515 54.515 53.351 1.164 19413 7588 1 9 . 1 1 141 141 ALA CB C 141 18.001 18.001 19.900 -1.899 19413 7589 1 9 . 1 1 141 141 ALA H H 141 7.251 7.251 7.482 -0.231 19413 7590 1 9 . 1 1 142 142 ALA N N 142 121.272 121.272 122.272 -1.000 19413 7591 1 9 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.077 0.107 19413 7592 1 9 . 1 1 142 142 ALA CA C 142 54.657 54.657 54.564 0.093 19413 7593 1 9 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.721 -0.504 19413 7594 1 9 . 1 1 142 142 ALA H H 142 7.940 7.940 8.346 -0.406 19413 7595 1 9 . 1 1 143 143 ASP N N 143 121.599 121.599 117.050 4.549 19413 7596 1 9 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.541 -0.205 19413 7597 1 9 . 1 1 143 143 ASP CA C 143 56.975 56.975 54.798 2.177 19413 7598 1 9 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.103 -1.069 19413 7599 1 9 . 1 1 143 143 ASP H H 143 9.272 9.272 7.824 1.448 19413 7600 1 9 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.849 0.262 19413 7601 1 9 . 1 1 144 144 LEU CA C 144 54.547 54.547 56.128 -1.581 19413 7602 1 9 . 1 1 144 144 LEU CB C 144 41.055 41.055 38.983 2.072 19413 7603 1 9 . 1 1 145 145 GLN N N 145 116.940 116.940 116.802 0.138 19413 7604 1 9 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.013 -0.261 19413 7605 1 9 . 1 1 145 145 GLN CA C 145 55.823 55.823 57.203 -1.380 19413 7606 1 9 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.771 -2.639 19413 7607 1 9 . 1 1 145 145 GLN H H 145 7.750 7.750 8.148 -0.398 19413 7608 1 9 . 1 1 146 146 LEU N N 146 119.399 119.399 117.778 1.621 19413 7609 1 9 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.509 -0.623 19413 7610 1 9 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.322 0.991 19413 7611 1 9 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.136 0.006 19413 7612 1 9 . 1 1 146 146 LEU H H 146 7.516 7.516 7.467 0.049 19413 7613 1 9 . 1 1 147 147 GLN N N 147 123.118 123.118 122.040 1.078 19413 7614 1 9 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.174 -0.027 19413 7615 1 9 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.443 -0.576 19413 7616 1 9 . 1 1 147 147 GLN CB C 147 30.525 30.525 29.904 0.621 19413 7617 1 9 . 1 1 147 147 GLN H H 147 8.895 8.895 8.512 0.383 19413 7618 1 9 . 1 1 148 148 GLY N N 148 106.555 106.555 108.600 -2.045 19413 7619 1 9 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.616 0.488 19413 7620 1 9 . 1 1 148 148 GLY H H 148 7.275 7.275 7.714 -0.439 19413 7621 1 9 . 1 1 149 149 VAL N N 149 110.030 110.030 114.427 -4.397 19413 7622 1 9 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.481 -0.010 19413 7623 1 9 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.474 -0.837 19413 7624 1 9 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.665 2.017 19413 7625 1 9 . 1 1 149 149 VAL H H 149 8.267 8.267 8.140 0.127 19413 7626 1 9 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.594 0.216 19413 7627 1 9 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.648 -0.503 19413 7628 1 9 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.665 2.261 19413 7629 1 9 . 1 1 151 151 ALA N N 151 123.567 123.567 121.372 2.195 19413 7630 1 9 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.580 0.305 19413 7631 1 9 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.511 0.113 19413 7632 1 9 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.359 2.488 19413 7633 1 9 . 1 1 151 151 ALA H H 151 8.249 8.249 8.610 -0.361 19413 7634 1 9 . 1 1 152 152 MET N N 152 121.866 121.866 125.991 -4.125 19413 7635 1 9 . 1 1 152 152 MET HA H 152 5.724 5.724 5.002 0.722 19413 7636 1 9 . 1 1 152 152 MET CA C 152 55.487 55.487 54.423 1.064 19413 7637 1 9 . 1 1 152 152 MET CB C 152 36.830 36.830 34.389 2.441 19413 7638 1 9 . 1 1 152 152 MET H H 152 8.610 8.610 8.642 -0.032 19413 7639 1 9 . 1 1 153 153 TYR N N 153 124.782 124.782 124.812 -0.030 19413 7640 1 9 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.001 0.753 19413 7641 1 9 . 1 1 153 153 TYR CA C 153 56.208 56.208 59.524 -3.316 19413 7642 1 9 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.483 3.507 19413 7643 1 9 . 1 1 153 153 TYR H H 153 9.685 9.685 8.834 0.851 19413 7644 1 9 . 1 1 154 154 VAL N N 154 121.914 121.914 120.634 1.280 19413 7645 1 9 . 1 1 154 154 VAL CB C 154 34.660 34.660 33.162 1.498 19413 7646 1 9 . 1 1 154 154 VAL H H 154 9.441 9.441 8.763 0.678 19413 7647 1 9 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.738 0.001 19413 7648 1 9 . 1 1 155 155 ASN CA C 155 54.473 54.473 52.759 1.714 19413 7649 1 9 . 1 1 155 155 ASN CB C 155 37.154 37.154 37.393 -0.239 19413 7650 1 9 . 1 1 156 156 GLY N N 156 106.059 106.059 109.708 -3.649 19413 7651 1 9 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.697 -0.511 19413 7652 1 9 . 1 1 156 156 GLY H H 156 9.354 9.354 8.443 0.911 19413 7653 1 9 . 1 1 157 157 LYS N N 157 114.357 114.357 124.717 -10.360 19413 7654 1 9 . 1 1 157 157 LYS HA H 157 4.552 4.552 3.991 0.561 19413 7655 1 9 . 1 1 157 157 LYS CA C 157 56.755 56.755 57.759 -1.004 19413 7656 1 9 . 1 1 157 157 LYS CB C 157 36.788 36.788 32.080 4.708 19413 7657 1 9 . 1 1 157 157 LYS H H 157 7.877 7.877 7.991 -0.114 19413 7658 1 9 . 1 1 158 158 TYR N N 158 117.900 117.900 117.410 0.490 19413 7659 1 9 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.700 0.164 19413 7660 1 9 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.217 -0.361 19413 7661 1 9 . 1 1 158 158 TYR CB C 158 42.879 42.879 41.466 1.413 19413 7662 1 9 . 1 1 158 158 TYR H H 158 7.876 7.876 7.461 0.415 19413 7663 1 9 . 1 1 159 159 GLN N N 159 125.094 125.094 120.891 4.203 19413 7664 1 9 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.076 -0.323 19413 7665 1 9 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.658 -0.252 19413 7666 1 9 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.399 -1.550 19413 7667 1 9 . 1 1 159 159 GLN H H 159 9.701 9.701 9.208 0.493 19413 7668 1 9 . 1 1 160 160 LEU N N 160 131.941 131.941 125.780 6.161 19413 7669 1 9 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.159 -0.148 19413 7670 1 9 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.478 -1.483 19413 7671 1 9 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.093 -1.018 19413 7672 1 9 . 1 1 160 160 LEU H H 160 8.551 8.551 8.497 0.054 19413 7673 1 9 . 1 1 161 161 ASN N N 161 118.639 118.639 123.292 -4.653 19413 7674 1 9 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.133 0.363 19413 7675 1 9 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.727 0.042 19413 7676 1 9 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.084 -0.173 19413 7677 1 9 . 1 1 161 161 ASN H H 161 8.285 8.285 8.167 0.118 19413 7678 1 9 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.791 -0.002 19413 7679 1 9 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.829 -0.055 19413 7680 1 9 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.793 -0.615 19413 7681 1 9 . 1 1 163 163 GLN N N 163 116.006 116.006 120.404 -4.398 19413 7682 1 9 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.150 0.076 19413 7683 1 9 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.827 0.139 19413 7684 1 9 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.156 -0.180 19413 7685 1 9 . 1 1 163 163 GLN H H 163 8.086 8.086 8.062 0.024 19413 7686 1 9 . 1 1 164 164 GLY N N 164 107.393 107.393 105.978 1.415 19413 7687 1 9 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.655 -0.052 19413 7688 1 9 . 1 1 164 164 GLY H H 164 8.030 8.030 7.917 0.113 19413 7689 1 9 . 1 1 165 165 MET N N 165 119.802 119.802 117.708 2.094 19413 7690 1 9 . 1 1 165 165 MET HA H 165 4.636 4.636 4.575 0.061 19413 7691 1 9 . 1 1 165 165 MET CA C 165 54.567 54.567 55.360 -0.793 19413 7692 1 9 . 1 1 165 165 MET CB C 165 34.464 34.464 34.286 0.178 19413 7693 1 9 . 1 1 165 165 MET H H 165 7.451 7.451 7.409 0.042 19413 7694 1 9 . 1 1 166 166 ASP N N 166 121.681 121.681 120.188 1.493 19413 7695 1 9 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.655 -0.022 19413 7696 1 9 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.368 -0.187 19413 7697 1 9 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.398 -0.744 19413 7698 1 9 . 1 1 166 166 ASP H H 166 8.694 8.694 8.725 -0.031 19413 7699 1 9 . 1 1 167 167 THR N N 167 112.609 112.609 117.001 -4.392 19413 7700 1 9 . 1 1 167 167 THR HA H 167 4.224 4.224 4.556 -0.332 19413 7701 1 9 . 1 1 167 167 THR CA C 167 60.340 60.340 61.655 -1.315 19413 7702 1 9 . 1 1 167 167 THR CB C 167 68.416 68.416 68.821 -0.405 19413 7703 1 9 . 1 1 167 167 THR H H 167 7.860 7.860 8.509 -0.649 19413 7704 1 9 . 1 1 168 168 SER N N 168 118.936 118.936 116.318 2.618 19413 7705 1 9 . 1 1 168 168 SER HA H 168 4.158 4.158 4.488 -0.330 19413 7706 1 9 . 1 1 168 168 SER CA C 168 60.874 60.874 59.518 1.356 19413 7707 1 9 . 1 1 168 168 SER CB C 168 63.123 63.123 63.558 -0.435 19413 7708 1 9 . 1 1 168 168 SER H H 168 8.739 8.739 8.565 0.174 19413 7709 1 9 . 1 1 169 169 ASN N N 169 117.875 117.875 117.309 0.566 19413 7710 1 9 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.855 -0.082 19413 7711 1 9 . 1 1 169 169 ASN CA C 169 52.348 52.348 52.975 -0.627 19413 7712 1 9 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.714 0.978 19413 7713 1 9 . 1 1 169 169 ASN H H 169 7.341 7.341 8.173 -0.832 19413 7714 1 9 . 1 1 170 170 MET N N 170 123.431 123.431 116.629 6.802 19413 7715 1 9 . 1 1 170 170 MET HA H 170 4.600 4.600 3.998 0.602 19413 7716 1 9 . 1 1 170 170 MET CA C 170 57.233 57.233 58.945 -1.712 19413 7717 1 9 . 1 1 170 170 MET CB C 170 32.751 32.751 30.249 2.502 19413 7718 1 9 . 1 1 170 170 MET H H 170 9.186 9.186 8.400 0.786 19413 7719 1 9 . 1 1 171 171 ASP N N 171 120.825 120.825 119.919 0.906 19413 7720 1 9 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.418 0.075 19413 7721 1 9 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.865 -0.360 19413 7722 1 9 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.227 -1.439 19413 7723 1 9 . 1 1 171 171 ASP H H 171 8.232 8.232 8.261 -0.029 19413 7724 1 9 . 1 1 172 172 VAL N N 172 122.666 122.666 118.270 4.396 19413 7725 1 9 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.799 -0.021 19413 7726 1 9 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.684 -0.145 19413 7727 1 9 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.335 0.519 19413 7728 1 9 . 1 1 172 172 VAL H H 172 7.872 7.872 7.924 -0.052 19413 7729 1 9 . 1 1 173 173 PHE N N 173 121.872 121.872 122.592 -0.720 19413 7730 1 9 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.427 -0.047 19413 7731 1 9 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.173 0.291 19413 7732 1 9 . 1 1 173 173 PHE CB C 173 39.274 39.274 39.152 0.122 19413 7733 1 9 . 1 1 173 173 PHE H H 173 8.250 8.250 7.695 0.555 19413 7734 1 9 . 1 1 174 174 VAL N N 174 117.535 117.535 118.851 -1.316 19413 7735 1 9 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.239 -0.196 19413 7736 1 9 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.346 1.557 19413 7737 1 9 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.265 1.107 19413 7738 1 9 . 1 1 174 174 VAL H H 174 8.138 8.138 7.923 0.215 19413 7739 1 9 . 1 1 175 175 ALA N N 175 121.129 121.129 122.964 -1.835 19413 7740 1 9 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.880 0.246 19413 7741 1 9 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.261 -0.493 19413 7742 1 9 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.327 -0.312 19413 7743 1 9 . 1 1 175 175 ALA H H 175 7.396 7.396 8.489 -1.093 19413 7744 1 9 . 1 1 176 176 GLN N N 176 120.043 120.043 116.569 3.474 19413 7745 1 9 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.298 -0.219 19413 7746 1 9 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.967 0.995 19413 7747 1 9 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.436 -1.387 19413 7748 1 9 . 1 1 176 176 GLN H H 176 8.721 8.721 7.487 1.234 19413 7749 1 9 . 1 1 177 177 TYR N N 177 127.981 127.981 122.961 5.020 19413 7750 1 9 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.937 -0.346 19413 7751 1 9 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.479 0.083 19413 7752 1 9 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.000 -0.022 19413 7753 1 9 . 1 1 177 177 TYR H H 177 9.002 9.002 8.438 0.564 19413 7754 1 9 . 1 1 178 178 ALA N N 178 119.796 119.796 118.431 1.365 19413 7755 1 9 . 1 1 178 178 ALA HA H 178 4.030 4.030 4.018 0.012 19413 7756 1 9 . 1 1 178 178 ALA CA C 178 55.405 55.405 54.972 0.433 19413 7757 1 9 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.188 -0.219 19413 7758 1 9 . 1 1 178 178 ALA H H 178 8.392 8.392 8.354 0.038 19413 7759 1 9 . 1 1 179 179 ASP N N 179 117.823 117.823 117.973 -0.150 19413 7760 1 9 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.424 -0.005 19413 7761 1 9 . 1 1 179 179 ASP CA C 179 57.296 57.296 56.942 0.354 19413 7762 1 9 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.655 1.148 19413 7763 1 9 . 1 1 179 179 ASP H H 179 8.379 8.379 7.455 0.924 19413 7764 1 9 . 1 1 180 180 THR N N 180 117.846 117.846 116.732 1.114 19413 7765 1 9 . 1 1 180 180 THR HA H 180 4.179 4.179 4.044 0.135 19413 7766 1 9 . 1 1 180 180 THR CA C 180 67.378 67.378 65.392 1.986 19413 7767 1 9 . 1 1 180 180 THR CB C 180 67.733 67.733 68.484 -0.751 19413 7768 1 9 . 1 1 180 180 THR H H 180 8.255 8.255 7.728 0.527 19413 7769 1 9 . 1 1 181 181 VAL N N 181 120.101 120.101 120.846 -0.745 19413 7770 1 9 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.442 -0.261 19413 7771 1 9 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.955 0.825 19413 7772 1 9 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.325 -0.394 19413 7773 1 9 . 1 1 181 181 VAL H H 181 7.772 7.772 7.576 0.196 19413 7774 1 9 . 1 1 182 182 LYS N N 182 119.144 119.144 118.286 0.858 19413 7775 1 9 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.915 -0.285 19413 7776 1 9 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.153 1.208 19413 7777 1 9 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.808 0.472 19413 7778 1 9 . 1 1 182 182 LYS H H 182 7.758 7.758 7.708 0.050 19413 7779 1 9 . 1 1 183 183 GLN N N 183 116.269 116.269 118.531 -2.262 19413 7780 1 9 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.189 -0.204 19413 7781 1 9 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.223 1.060 19413 7782 1 9 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.546 0.777 19413 7783 1 9 . 1 1 183 183 GLN H H 183 8.114 8.114 7.668 0.446 19413 7784 1 9 . 1 1 184 184 LEU N N 184 119.688 119.688 119.483 0.205 19413 7785 1 9 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.782 -0.147 19413 7786 1 9 . 1 1 184 184 LEU CA C 184 57.041 57.041 57.002 0.040 19413 7787 1 9 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.779 0.281 19413 7788 1 9 . 1 1 184 184 LEU H H 184 8.000 8.000 7.761 0.239 19413 7789 1 9 . 1 1 185 185 VAL N N 185 121.017 121.017 116.248 4.769 19413 7790 1 9 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.834 -0.322 19413 7791 1 9 . 1 1 185 185 VAL CA C 185 65.742 65.742 64.685 1.057 19413 7792 1 9 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.800 -0.237 19413 7793 1 9 . 1 1 185 185 VAL H H 185 8.494 8.494 7.380 1.114 19413 7794 1 9 . 1 1 186 186 GLU N N 186 117.535 117.535 115.985 1.550 19413 7795 1 9 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.371 -0.251 19413 7796 1 9 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.050 1.109 19413 7797 1 9 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.032 -0.243 19413 7798 1 9 . 1 1 186 186 GLU H H 186 7.541 7.541 7.468 0.073 19413 7799 1 9 . 1 1 187 187 LYS N N 187 121.929 121.929 121.062 0.867 19413 7800 1 9 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.455 -0.329 19413 7801 1 9 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.263 2.485 19413 7802 1 9 . 1 1 187 187 LYS CB C 187 32.718 32.718 32.205 0.513 19413 7803 1 9 . 1 1 187 187 LYS H H 187 7.358 7.358 7.408 -0.050 19413 7804 1 10 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.529 0.242 19413 7805 1 10 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.185 0.103 19413 7806 1 10 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.960 -0.039 19413 7807 1 10 . 1 1 1 1 ALA N N 1 125.275 125.275 119.705 5.570 19413 7808 1 10 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.003 0.316 19413 7809 1 10 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.239 -1.206 19413 7810 1 10 . 1 1 1 1 ALA CB C 1 19.124 19.124 18.085 1.039 19413 7811 1 10 . 1 1 1 1 ALA H H 1 8.441 8.441 8.591 -0.150 19413 7812 1 10 . 1 1 2 2 GLN N N 2 121.120 121.120 116.964 4.156 19413 7813 1 10 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.637 -0.158 19413 7814 1 10 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.251 0.162 19413 7815 1 10 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.136 -1.642 19413 7816 1 10 . 1 1 2 2 GLN H H 2 8.334 8.334 8.295 0.039 19413 7817 1 10 . 1 1 3 3 ILE N N 3 120.380 120.380 119.654 0.726 19413 7818 1 10 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.638 -0.227 19413 7819 1 10 . 1 1 3 3 ILE CA C 3 60.793 60.793 60.143 0.650 19413 7820 1 10 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.188 -0.497 19413 7821 1 10 . 1 1 3 3 ILE H H 3 8.197 8.197 7.948 0.249 19413 7822 1 10 . 1 1 4 4 THR N N 4 120.223 120.223 116.569 3.654 19413 7823 1 10 . 1 1 4 4 THR HA H 4 4.566 4.566 4.599 -0.033 19413 7824 1 10 . 1 1 4 4 THR CA C 4 61.500 61.500 61.489 0.011 19413 7825 1 10 . 1 1 4 4 THR CB C 4 71.727 71.727 71.561 0.166 19413 7826 1 10 . 1 1 4 4 THR H H 4 9.119 9.119 8.270 0.849 19413 7827 1 10 . 1 1 5 5 ASP N N 5 128.193 128.193 122.015 6.178 19413 7828 1 10 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.282 -0.136 19413 7829 1 10 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.633 0.716 19413 7830 1 10 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.789 0.212 19413 7831 1 10 . 1 1 5 5 ASP H H 5 8.510 8.510 8.512 -0.002 19413 7832 1 10 . 1 1 6 6 GLY N N 6 117.400 117.400 112.176 5.224 19413 7833 1 10 . 1 1 6 6 GLY CA C 6 44.982 44.982 46.195 -1.213 19413 7834 1 10 . 1 1 6 6 GLY H H 6 8.608 8.608 8.223 0.385 19413 7835 1 10 . 1 1 7 7 LYS N N 7 122.122 122.122 120.940 1.182 19413 7836 1 10 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.274 0.328 19413 7837 1 10 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.720 -1.056 19413 7838 1 10 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.057 -1.294 19413 7839 1 10 . 1 1 7 7 LYS H H 7 8.131 8.131 7.308 0.823 19413 7840 1 10 . 1 1 8 8 GLN N N 8 115.920 115.920 114.737 1.183 19413 7841 1 10 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.662 -0.533 19413 7842 1 10 . 1 1 8 8 GLN CA C 8 59.067 59.067 56.311 2.756 19413 7843 1 10 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.250 -3.164 19413 7844 1 10 . 1 1 8 8 GLN H H 8 8.548 8.548 7.752 0.796 19413 7845 1 10 . 1 1 9 9 TYR N N 9 112.118 112.118 114.271 -2.153 19413 7846 1 10 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.420 -0.302 19413 7847 1 10 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.915 -1.177 19413 7848 1 10 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.235 -0.058 19413 7849 1 10 . 1 1 9 9 TYR H H 9 7.572 7.572 7.272 0.300 19413 7850 1 10 . 1 1 10 10 ILE N N 10 119.488 119.488 118.378 1.110 19413 7851 1 10 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.530 0.051 19413 7852 1 10 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.539 0.459 19413 7853 1 10 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.548 0.455 19413 7854 1 10 . 1 1 10 10 ILE H H 10 9.365 9.365 9.164 0.201 19413 7855 1 10 . 1 1 11 11 THR N N 11 126.054 126.054 115.570 10.484 19413 7856 1 10 . 1 1 11 11 THR HA H 11 4.837 4.837 5.144 -0.307 19413 7857 1 10 . 1 1 11 11 THR CA C 11 63.376 63.376 61.634 1.742 19413 7858 1 10 . 1 1 11 11 THR CB C 11 68.487 68.487 69.764 -1.277 19413 7859 1 10 . 1 1 11 11 THR H H 11 9.153 9.153 8.200 0.953 19413 7860 1 10 . 1 1 12 12 LEU N N 12 129.370 129.370 120.782 8.588 19413 7861 1 10 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.629 -0.380 19413 7862 1 10 . 1 1 12 12 LEU CA C 12 55.286 55.286 53.982 1.304 19413 7863 1 10 . 1 1 12 12 LEU CB C 12 41.506 41.506 43.639 -2.133 19413 7864 1 10 . 1 1 12 12 LEU H H 12 8.636 8.636 8.315 0.321 19413 7865 1 10 . 1 1 13 13 ASP N N 13 122.179 122.179 120.973 1.206 19413 7866 1 10 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.500 -0.062 19413 7867 1 10 . 1 1 13 13 ASP CA C 13 55.724 55.724 56.403 -0.679 19413 7868 1 10 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.403 -0.518 19413 7869 1 10 . 1 1 13 13 ASP H H 13 8.494 8.494 8.386 0.108 19413 7870 1 10 . 1 1 14 14 LYS N N 14 119.361 119.361 119.086 0.275 19413 7871 1 10 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.671 0.091 19413 7872 1 10 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.756 -1.269 19413 7873 1 10 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.512 -0.609 19413 7874 1 10 . 1 1 14 14 LYS H H 14 7.714 7.714 8.189 -0.475 19413 7875 1 10 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.525 0.078 19413 7876 1 10 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.450 -0.189 19413 7877 1 10 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.559 2.138 19413 7878 1 10 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.142 0.220 19413 7879 1 10 . 1 1 16 16 ILE CA C 16 58.576 58.576 59.612 -1.036 19413 7880 1 10 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.471 -1.229 19413 7881 1 10 . 1 1 17 17 ALA N N 17 130.287 130.287 127.575 2.712 19413 7882 1 10 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.254 0.094 19413 7883 1 10 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.003 -0.352 19413 7884 1 10 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.609 0.735 19413 7885 1 10 . 1 1 17 17 ALA H H 17 8.396 8.396 8.441 -0.045 19413 7886 1 10 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.629 0.589 19413 7887 1 10 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.270 0.131 19413 7888 1 10 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.775 0.617 19413 7889 1 10 . 1 1 20 20 PRO CB C 20 31.678 31.678 30.246 1.432 19413 7890 1 10 . 1 1 23 23 LEU HA H 23 5.038 5.038 5.273 -0.235 19413 7891 1 10 . 1 1 23 23 LEU CA C 23 52.966 52.966 53.465 -0.499 19413 7892 1 10 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.402 -0.289 19413 7893 1 10 . 1 1 24 24 GLU N N 24 127.720 127.720 120.910 6.810 19413 7894 1 10 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.631 -0.026 19413 7895 1 10 . 1 1 24 24 GLU CA C 24 53.438 53.438 53.959 -0.520 19413 7896 1 10 . 1 1 24 24 GLU CB C 24 33.704 33.704 34.318 -0.614 19413 7897 1 10 . 1 1 24 24 GLU H H 24 8.973 8.973 8.599 0.374 19413 7898 1 10 . 1 1 25 25 PHE N N 25 121.108 121.108 120.384 0.724 19413 7899 1 10 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.698 0.368 19413 7900 1 10 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.113 -0.168 19413 7901 1 10 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.987 1.019 19413 7902 1 10 . 1 1 25 25 PHE H H 25 9.266 9.266 9.240 0.026 19413 7903 1 10 . 1 1 26 26 PHE N N 26 120.125 120.125 117.191 2.934 19413 7904 1 10 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.019 -0.238 19413 7905 1 10 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.683 -1.845 19413 7906 1 10 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.137 2.467 19413 7907 1 10 . 1 1 26 26 PHE H H 26 8.957 8.957 8.006 0.951 19413 7908 1 10 . 1 1 27 27 SER N N 27 109.643 109.643 113.673 -4.030 19413 7909 1 10 . 1 1 27 27 SER HA H 27 3.584 3.584 4.465 -0.881 19413 7910 1 10 . 1 1 27 27 SER CA C 27 54.556 54.556 55.370 -0.814 19413 7911 1 10 . 1 1 27 27 SER CB C 27 64.711 64.711 65.769 -1.058 19413 7912 1 10 . 1 1 27 27 SER H H 27 6.543 6.543 8.254 -1.711 19413 7913 1 10 . 1 1 28 28 PHE N N 28 132.096 132.096 118.732 13.364 19413 7914 1 10 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.177 0.190 19413 7915 1 10 . 1 1 28 28 PHE CA C 28 62.530 62.530 59.414 3.116 19413 7916 1 10 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.831 -0.188 19413 7917 1 10 . 1 1 28 28 PHE H H 28 11.199 11.199 7.763 3.436 19413 7918 1 10 . 1 1 29 29 TYR N N 29 115.582 115.582 114.181 1.401 19413 7919 1 10 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.575 -0.206 19413 7920 1 10 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.111 1.734 19413 7921 1 10 . 1 1 29 29 TYR CB C 29 39.781 39.781 40.233 -0.452 19413 7922 1 10 . 1 1 29 29 TYR H H 29 8.619 8.619 7.722 0.897 19413 7923 1 10 . 1 1 30 30 CYS N N 30 121.025 121.025 118.345 2.680 19413 7924 1 10 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.866 0.140 19413 7925 1 10 . 1 1 30 30 CYS CA C 30 52.459 52.459 54.580 -2.121 19413 7926 1 10 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.915 18.463 19413 7927 1 10 . 1 1 30 30 CYS H H 30 7.284 7.284 7.640 -0.356 19413 7928 1 10 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.479 0.598 19413 7929 1 10 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.838 1.135 19413 7930 1 10 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.264 -0.056 19413 7931 1 10 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.157 0.447 19413 7932 1 10 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.428 -1.981 19413 7933 1 10 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.971 1.083 19413 7934 1 10 . 1 1 33 33 CYS N N 33 117.365 117.365 116.257 1.108 19413 7935 1 10 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.076 0.463 19413 7936 1 10 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.766 0.426 19413 7937 1 10 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.556 8.287 19413 7938 1 10 . 1 1 33 33 CYS H H 33 8.921 8.921 8.762 0.159 19413 7939 1 10 . 1 1 34 34 TYR N N 34 123.491 123.491 120.627 2.864 19413 7940 1 10 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.387 -1.625 19413 7941 1 10 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.394 -1.961 19413 7942 1 10 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.322 -0.837 19413 7943 1 10 . 1 1 34 34 TYR H H 34 7.650 7.650 7.633 0.017 19413 7944 1 10 . 1 1 35 35 GLN N N 35 118.639 118.639 117.108 1.531 19413 7945 1 10 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.923 -0.211 19413 7946 1 10 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.741 -0.331 19413 7947 1 10 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.206 -0.273 19413 7948 1 10 . 1 1 35 35 GLN H H 35 7.641 7.641 7.854 -0.213 19413 7949 1 10 . 1 1 36 36 PHE N N 36 121.254 121.254 116.456 4.798 19413 7950 1 10 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.302 -0.272 19413 7951 1 10 . 1 1 36 36 PHE CA C 36 60.801 60.801 58.706 2.095 19413 7952 1 10 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.235 0.684 19413 7953 1 10 . 1 1 36 36 PHE H H 36 8.721 8.721 8.928 -0.207 19413 7954 1 10 . 1 1 37 37 GLU N N 37 116.279 116.279 115.733 0.546 19413 7955 1 10 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.350 -0.023 19413 7956 1 10 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.444 2.340 19413 7957 1 10 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.399 0.457 19413 7958 1 10 . 1 1 37 37 GLU H H 37 7.705 7.705 7.337 0.368 19413 7959 1 10 . 1 1 38 38 GLU N N 38 112.285 112.285 116.370 -4.085 19413 7960 1 10 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.926 0.080 19413 7961 1 10 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.843 -1.266 19413 7962 1 10 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.604 -1.821 19413 7963 1 10 . 1 1 38 38 GLU H H 38 7.870 7.870 7.578 0.292 19413 7964 1 10 . 1 1 39 39 VAL N N 39 117.365 117.365 119.611 -2.246 19413 7965 1 10 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.785 0.223 19413 7966 1 10 . 1 1 39 39 VAL CA C 39 63.965 63.965 65.372 -1.407 19413 7967 1 10 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.434 -0.074 19413 7968 1 10 . 1 1 39 39 VAL H H 39 6.850 6.850 7.389 -0.539 19413 7969 1 10 . 1 1 40 40 LEU N N 40 116.098 116.098 115.919 0.179 19413 7970 1 10 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.146 -0.053 19413 7971 1 10 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.282 -0.183 19413 7972 1 10 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.208 0.905 19413 7973 1 10 . 1 1 40 40 LEU H H 40 8.171 8.171 7.876 0.295 19413 7974 1 10 . 1 1 41 41 HIS N N 41 111.930 111.930 115.528 -3.598 19413 7975 1 10 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.219 0.287 19413 7976 1 10 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.838 -1.371 19413 7977 1 10 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.975 -1.372 19413 7978 1 10 . 1 1 41 41 HIS H H 41 6.459 6.459 7.393 -0.934 19413 7979 1 10 . 1 1 42 42 VAL N N 42 120.465 120.465 120.909 -0.444 19413 7980 1 10 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.366 -0.338 19413 7981 1 10 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.358 1.614 19413 7982 1 10 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.531 0.355 19413 7983 1 10 . 1 1 42 42 VAL H H 42 8.621 8.621 8.146 0.475 19413 7984 1 10 . 1 1 43 43 SER N N 43 113.968 113.968 115.807 -1.839 19413 7985 1 10 . 1 1 43 43 SER HA H 43 4.002 4.002 3.948 0.054 19413 7986 1 10 . 1 1 43 43 SER CA C 43 61.242 61.242 62.258 -1.016 19413 7987 1 10 . 1 1 43 43 SER CB C 43 62.565 62.565 62.912 -0.347 19413 7988 1 10 . 1 1 43 43 SER H H 43 8.040 8.040 8.125 -0.085 19413 7989 1 10 . 1 1 44 44 ASP N N 44 121.731 121.731 119.660 2.071 19413 7990 1 10 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.497 -0.083 19413 7991 1 10 . 1 1 44 44 ASP CA C 44 57.232 57.232 56.316 0.915 19413 7992 1 10 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.246 0.786 19413 7993 1 10 . 1 1 44 44 ASP H H 44 8.215 8.215 8.641 -0.426 19413 7994 1 10 . 1 1 45 45 ASN N N 45 118.906 118.906 119.167 -0.261 19413 7995 1 10 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.426 -0.154 19413 7996 1 10 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.053 1.269 19413 7997 1 10 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.879 0.748 19413 7998 1 10 . 1 1 45 45 ASN H H 45 7.860 7.860 7.792 0.068 19413 7999 1 10 . 1 1 46 46 VAL N N 46 119.934 119.934 120.983 -1.049 19413 8000 1 10 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.722 -0.257 19413 8001 1 10 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.421 0.380 19413 8002 1 10 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.319 0.030 19413 8003 1 10 . 1 1 46 46 VAL H H 46 8.583 8.583 8.573 0.010 19413 8004 1 10 . 1 1 47 47 ARG N N 47 119.655 119.655 119.337 0.318 19413 8005 1 10 . 1 1 47 47 ARG HA H 47 3.821 3.821 4.033 -0.212 19413 8006 1 10 . 1 1 47 47 ARG CA C 47 59.802 59.802 58.849 0.953 19413 8007 1 10 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.227 1.111 19413 8008 1 10 . 1 1 47 47 ARG H H 47 8.522 8.522 8.274 0.248 19413 8009 1 10 . 1 1 48 48 GLN N N 48 115.072 115.072 117.084 -2.012 19413 8010 1 10 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.232 -0.114 19413 8011 1 10 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.414 0.314 19413 8012 1 10 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.938 0.072 19413 8013 1 10 . 1 1 48 48 GLN H H 48 7.605 7.605 7.715 -0.110 19413 8014 1 10 . 1 1 49 49 LYS N N 49 116.858 116.858 116.521 0.337 19413 8015 1 10 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.422 -0.000 19413 8016 1 10 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.731 -0.926 19413 8017 1 10 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.457 -0.809 19413 8018 1 10 . 1 1 49 49 LYS H H 49 7.460 7.460 7.925 -0.465 19413 8019 1 10 . 1 1 50 50 LEU N N 50 119.786 119.786 123.172 -3.386 19413 8020 1 10 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.386 0.013 19413 8021 1 10 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.255 -0.327 19413 8022 1 10 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.690 -0.736 19413 8023 1 10 . 1 1 50 50 LEU H H 50 7.215 7.215 7.418 -0.203 19413 8024 1 10 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.588 -0.112 19413 8025 1 10 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.074 0.198 19413 8026 1 10 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.579 -1.125 19413 8027 1 10 . 1 1 52 52 GLU N N 52 126.400 126.400 121.432 4.968 19413 8028 1 10 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.249 -0.149 19413 8029 1 10 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.317 1.798 19413 8030 1 10 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.241 1.095 19413 8031 1 10 . 1 1 52 52 GLU H H 52 8.935 8.935 8.777 0.158 19413 8032 1 10 . 1 1 53 53 GLY N N 53 113.671 113.671 109.565 4.106 19413 8033 1 10 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.608 -0.763 19413 8034 1 10 . 1 1 53 53 GLY H H 53 8.948 8.948 8.473 0.475 19413 8035 1 10 . 1 1 54 54 THR N N 54 118.129 118.129 117.413 0.716 19413 8036 1 10 . 1 1 54 54 THR HA H 54 4.161 4.161 3.990 0.171 19413 8037 1 10 . 1 1 54 54 THR CA C 54 63.707 63.707 64.481 -0.774 19413 8038 1 10 . 1 1 54 54 THR CB C 54 68.784 68.784 69.151 -0.367 19413 8039 1 10 . 1 1 54 54 THR H H 54 7.696 7.696 7.613 0.083 19413 8040 1 10 . 1 1 55 55 LYS N N 55 129.892 129.892 119.908 9.984 19413 8041 1 10 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.032 0.343 19413 8042 1 10 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.901 -1.066 19413 8043 1 10 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.932 0.516 19413 8044 1 10 . 1 1 55 55 LYS H H 55 8.757 8.757 8.337 0.420 19413 8045 1 10 . 1 1 56 56 MET N N 56 125.391 125.391 124.458 0.933 19413 8046 1 10 . 1 1 56 56 MET HA H 56 5.258 5.258 4.329 0.929 19413 8047 1 10 . 1 1 56 56 MET CA C 56 54.436 54.436 56.381 -1.945 19413 8048 1 10 . 1 1 56 56 MET CB C 56 34.394 34.394 32.743 1.651 19413 8049 1 10 . 1 1 56 56 MET H H 56 8.512 8.512 8.696 -0.184 19413 8050 1 10 . 1 1 57 57 THR N N 57 124.711 124.711 122.451 2.260 19413 8051 1 10 . 1 1 57 57 THR HA H 57 4.390 4.390 4.591 -0.201 19413 8052 1 10 . 1 1 57 57 THR CA C 57 61.942 61.942 61.789 0.153 19413 8053 1 10 . 1 1 57 57 THR CB C 57 70.952 70.952 70.447 0.505 19413 8054 1 10 . 1 1 57 57 THR H H 57 8.830 8.830 8.366 0.464 19413 8055 1 10 . 1 1 58 58 LYS N N 58 126.113 126.113 127.118 -1.005 19413 8056 1 10 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.343 -0.061 19413 8057 1 10 . 1 1 58 58 LYS CA C 58 54.501 54.501 55.302 -0.801 19413 8058 1 10 . 1 1 58 58 LYS CB C 58 35.417 35.417 35.163 0.254 19413 8059 1 10 . 1 1 58 58 LYS H H 58 8.739 8.739 9.110 -0.371 19413 8060 1 10 . 1 1 59 59 TYR N N 59 127.472 127.472 123.585 3.887 19413 8061 1 10 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.933 0.693 19413 8062 1 10 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.130 -3.305 19413 8063 1 10 . 1 1 59 59 TYR CB C 59 40.685 40.685 41.847 -1.162 19413 8064 1 10 . 1 1 59 59 TYR H H 59 9.524 9.524 8.590 0.934 19413 8065 1 10 . 1 1 60 60 HIS N N 60 123.656 123.656 121.519 2.137 19413 8066 1 10 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.726 -0.342 19413 8067 1 10 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.551 1.916 19413 8068 1 10 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.219 -1.400 19413 8069 1 10 . 1 1 60 60 HIS H H 60 9.284 9.284 9.300 -0.016 19413 8070 1 10 . 1 1 61 61 VAL N N 61 112.397 112.397 122.845 -10.448 19413 8071 1 10 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.574 0.163 19413 8072 1 10 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.732 -1.653 19413 8073 1 10 . 1 1 61 61 VAL CB C 61 33.885 33.885 33.980 -0.095 19413 8074 1 10 . 1 1 61 61 VAL H H 61 6.262 6.262 8.171 -1.909 19413 8075 1 10 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.596 -0.555 19413 8076 1 10 . 1 1 62 62 GLU CA C 62 56.328 56.328 57.023 -0.695 19413 8077 1 10 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.734 0.018 19413 8078 1 10 . 1 1 63 63 PHE N N 63 111.215 111.215 120.722 -9.507 19413 8079 1 10 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.399 0.172 19413 8080 1 10 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.198 -1.489 19413 8081 1 10 . 1 1 63 63 PHE CB C 63 37.605 37.605 38.700 -1.095 19413 8082 1 10 . 1 1 63 63 PHE H H 63 6.419 6.419 8.240 -1.821 19413 8083 1 10 . 1 1 64 64 LEU N N 64 119.701 119.701 120.191 -0.490 19413 8084 1 10 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.474 0.221 19413 8085 1 10 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.055 -0.243 19413 8086 1 10 . 1 1 64 64 LEU CB C 64 44.338 44.338 45.188 -0.850 19413 8087 1 10 . 1 1 64 64 LEU H H 64 6.396 6.396 7.448 -1.052 19413 8088 1 10 . 1 1 65 65 GLY N N 65 108.957 108.957 110.103 -1.146 19413 8089 1 10 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.719 -0.541 19413 8090 1 10 . 1 1 65 65 GLY H H 65 8.084 8.084 8.160 -0.076 19413 8091 1 10 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.255 0.156 19413 8092 1 10 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.718 0.277 19413 8093 1 10 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.127 -0.336 19413 8094 1 10 . 1 1 67 67 LEU N N 67 114.479 114.479 118.284 -3.805 19413 8095 1 10 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.594 0.873 19413 8096 1 10 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.116 -1.223 19413 8097 1 10 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.931 -0.493 19413 8098 1 10 . 1 1 67 67 LEU H H 67 7.484 7.484 8.167 -0.683 19413 8099 1 10 . 1 1 68 68 GLY N N 68 108.957 108.957 109.201 -0.244 19413 8100 1 10 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.245 2.262 19413 8101 1 10 . 1 1 68 68 GLY H H 68 7.659 7.659 8.200 -0.541 19413 8102 1 10 . 1 1 69 69 LYS N N 69 124.459 124.459 121.264 3.195 19413 8103 1 10 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.065 -0.019 19413 8104 1 10 . 1 1 69 69 LYS CA C 69 61.036 61.036 59.277 1.759 19413 8105 1 10 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.149 -0.557 19413 8106 1 10 . 1 1 69 69 LYS H H 69 9.149 9.149 8.367 0.782 19413 8107 1 10 . 1 1 70 70 ASP N N 70 122.631 122.631 119.878 2.753 19413 8108 1 10 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.447 0.268 19413 8109 1 10 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.193 -0.298 19413 8110 1 10 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.308 1.849 19413 8111 1 10 . 1 1 70 70 ASP H H 70 8.519 8.519 8.307 0.212 19413 8112 1 10 . 1 1 71 71 LEU N N 71 119.276 119.276 120.335 -1.059 19413 8113 1 10 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.798 0.439 19413 8114 1 10 . 1 1 71 71 LEU CA C 71 57.277 57.277 57.989 -0.712 19413 8115 1 10 . 1 1 71 71 LEU CB C 71 43.077 43.077 40.759 2.318 19413 8116 1 10 . 1 1 71 71 LEU H H 71 9.421 9.421 8.494 0.927 19413 8117 1 10 . 1 1 72 72 THR N N 72 119.204 119.204 115.239 3.965 19413 8118 1 10 . 1 1 72 72 THR HA H 72 4.033 4.033 4.203 -0.170 19413 8119 1 10 . 1 1 72 72 THR CA C 72 67.403 67.403 67.139 0.263 19413 8120 1 10 . 1 1 72 72 THR CB C 72 68.170 68.170 68.456 -0.285 19413 8121 1 10 . 1 1 72 72 THR H H 72 7.762 7.762 8.447 -0.685 19413 8122 1 10 . 1 1 73 73 GLN N N 73 125.845 125.845 121.625 4.220 19413 8123 1 10 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.765 -0.102 19413 8124 1 10 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.807 0.596 19413 8125 1 10 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.151 -2.592 19413 8126 1 10 . 1 1 73 73 GLN H H 73 7.822 7.822 8.165 -0.343 19413 8127 1 10 . 1 1 74 74 ALA N N 74 123.013 123.013 122.376 0.637 19413 8128 1 10 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.091 0.042 19413 8129 1 10 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.975 -0.071 19413 8130 1 10 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.152 0.998 19413 8131 1 10 . 1 1 74 74 ALA H H 74 8.966 8.966 8.177 0.789 19413 8132 1 10 . 1 1 75 75 TRP N N 75 120.717 120.717 120.561 0.156 19413 8133 1 10 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.483 0.416 19413 8134 1 10 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.365 -1.293 19413 8135 1 10 . 1 1 75 75 TRP CB C 75 29.591 29.591 30.023 -0.432 19413 8136 1 10 . 1 1 75 75 TRP H H 75 8.932 8.932 8.221 0.711 19413 8137 1 10 . 1 1 76 76 ALA N N 76 119.394 119.394 121.021 -1.627 19413 8138 1 10 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.902 0.073 19413 8139 1 10 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.348 -0.470 19413 8140 1 10 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.017 2.148 19413 8141 1 10 . 1 1 76 76 ALA H H 76 7.650 7.650 7.925 -0.275 19413 8142 1 10 . 1 1 77 77 VAL N N 77 119.658 119.658 119.983 -0.325 19413 8143 1 10 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.563 -0.339 19413 8144 1 10 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.741 0.167 19413 8145 1 10 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.365 -1.248 19413 8146 1 10 . 1 1 77 77 VAL H H 77 8.074 8.074 7.448 0.626 19413 8147 1 10 . 1 1 78 78 ALA N N 78 121.951 121.951 122.643 -0.692 19413 8148 1 10 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.101 -0.077 19413 8149 1 10 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.290 -0.449 19413 8150 1 10 . 1 1 78 78 ALA CB C 78 17.499 17.499 17.977 -0.478 19413 8151 1 10 . 1 1 78 78 ALA H H 78 8.421 8.421 7.692 0.729 19413 8152 1 10 . 1 1 79 79 ILE N N 79 118.384 118.384 117.583 0.801 19413 8153 1 10 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.781 -0.165 19413 8154 1 10 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.101 -0.117 19413 8155 1 10 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.939 0.257 19413 8156 1 10 . 1 1 79 79 ILE H H 79 8.122 8.122 8.218 -0.096 19413 8157 1 10 . 1 1 80 80 ALA N N 80 124.708 124.708 121.144 3.564 19413 8158 1 10 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.113 -0.135 19413 8159 1 10 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.559 0.356 19413 8160 1 10 . 1 1 80 80 ALA CB C 80 18.105 18.105 19.074 -0.969 19413 8161 1 10 . 1 1 80 80 ALA H H 80 8.694 8.694 7.641 1.053 19413 8162 1 10 . 1 1 81 81 LEU N N 81 114.303 114.303 116.716 -2.413 19413 8163 1 10 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.441 -0.061 19413 8164 1 10 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.569 0.013 19413 8165 1 10 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.520 0.692 19413 8166 1 10 . 1 1 81 81 LEU H H 81 8.469 8.469 8.006 0.463 19413 8167 1 10 . 1 1 82 82 GLY N N 82 112.196 112.196 109.026 3.170 19413 8168 1 10 . 1 1 82 82 GLY CA C 82 46.958 46.958 46.030 0.928 19413 8169 1 10 . 1 1 82 82 GLY H H 82 7.955 7.955 7.750 0.205 19413 8170 1 10 . 1 1 83 83 VAL N N 83 109.426 109.426 111.605 -2.179 19413 8171 1 10 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.493 0.428 19413 8172 1 10 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.413 -1.231 19413 8173 1 10 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.818 -1.377 19413 8174 1 10 . 1 1 83 83 VAL H H 83 8.267 8.267 7.882 0.385 19413 8175 1 10 . 1 1 84 84 GLU N N 84 127.081 127.081 122.758 4.323 19413 8176 1 10 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.676 -0.092 19413 8177 1 10 . 1 1 84 84 GLU CA C 84 61.356 61.356 61.004 0.352 19413 8178 1 10 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.662 0.308 19413 8179 1 10 . 1 1 84 84 GLU H H 84 10.566 10.566 8.635 1.931 19413 8180 1 10 . 1 1 85 85 ASP N N 85 117.467 117.467 116.745 0.722 19413 8181 1 10 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.435 0.152 19413 8182 1 10 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.815 -0.536 19413 8183 1 10 . 1 1 85 85 ASP CB C 85 39.732 39.732 39.948 -0.216 19413 8184 1 10 . 1 1 85 85 ASP H H 85 8.946 8.946 8.876 0.070 19413 8185 1 10 . 1 1 86 86 LYS N N 86 119.121 119.121 118.109 1.012 19413 8186 1 10 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.157 0.262 19413 8187 1 10 . 1 1 86 86 LYS CA C 86 57.179 57.179 58.422 -1.243 19413 8188 1 10 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.003 0.423 19413 8189 1 10 . 1 1 86 86 LYS H H 86 7.745 7.745 7.629 0.116 19413 8190 1 10 . 1 1 87 87 ILE N N 87 108.193 108.193 111.926 -3.733 19413 8191 1 10 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.349 -0.111 19413 8192 1 10 . 1 1 87 87 ILE CA C 87 59.320 59.320 62.091 -2.771 19413 8193 1 10 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.560 1.440 19413 8194 1 10 . 1 1 87 87 ILE H H 87 7.343 7.343 7.491 -0.148 19413 8195 1 10 . 1 1 88 88 THR N N 88 119.455 119.455 118.278 1.177 19413 8196 1 10 . 1 1 88 88 THR HA H 88 4.053 4.053 4.146 -0.093 19413 8197 1 10 . 1 1 88 88 THR CA C 88 69.780 69.780 67.831 1.949 19413 8198 1 10 . 1 1 88 88 THR CB C 88 68.491 68.491 68.653 -0.162 19413 8199 1 10 . 1 1 88 88 THR H H 88 7.746 7.746 8.042 -0.296 19413 8200 1 10 . 1 1 89 89 ALA N N 89 123.122 123.122 122.846 0.276 19413 8201 1 10 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.229 0.371 19413 8202 1 10 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.537 0.754 19413 8203 1 10 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.645 -1.448 19413 8204 1 10 . 1 1 89 89 ALA H H 89 9.125 9.125 8.756 0.369 19413 8205 1 10 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.384 0.032 19413 8206 1 10 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.154 0.067 19413 8207 1 10 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.368 0.043 19413 8208 1 10 . 1 1 91 91 MET N N 91 119.468 119.468 119.447 0.021 19413 8209 1 10 . 1 1 91 91 MET HA H 91 4.370 4.370 4.246 0.124 19413 8210 1 10 . 1 1 91 91 MET CA C 91 56.901 56.901 58.681 -1.780 19413 8211 1 10 . 1 1 91 91 MET CB C 91 30.059 30.059 32.386 -2.326 19413 8212 1 10 . 1 1 91 91 MET H H 91 8.176 8.176 7.728 0.448 19413 8213 1 10 . 1 1 92 92 PHE N N 92 120.720 120.720 119.031 1.689 19413 8214 1 10 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.356 0.162 19413 8215 1 10 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.586 3.297 19413 8216 1 10 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.364 0.960 19413 8217 1 10 . 1 1 92 92 PHE H H 92 8.650 8.650 8.517 0.133 19413 8218 1 10 . 1 1 93 93 GLU N N 93 117.705 117.705 120.977 -3.272 19413 8219 1 10 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.027 0.039 19413 8220 1 10 . 1 1 93 93 GLU CA C 93 59.403 59.403 60.021 -0.618 19413 8221 1 10 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.732 -0.090 19413 8222 1 10 . 1 1 93 93 GLU H H 93 8.240 8.240 8.542 -0.302 19413 8223 1 10 . 1 1 94 94 ALA N N 94 123.067 123.067 120.193 2.874 19413 8224 1 10 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.257 0.194 19413 8225 1 10 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.799 -0.804 19413 8226 1 10 . 1 1 94 94 ALA CB C 94 19.003 19.003 18.720 0.283 19413 8227 1 10 . 1 1 94 94 ALA H H 94 8.431 8.431 8.050 0.381 19413 8228 1 10 . 1 1 95 95 VAL N N 95 115.582 115.582 115.033 0.549 19413 8229 1 10 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.757 -0.035 19413 8230 1 10 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.096 1.708 19413 8231 1 10 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.630 -0.891 19413 8232 1 10 . 1 1 95 95 VAL H H 95 8.467 8.467 7.585 0.882 19413 8233 1 10 . 1 1 96 96 GLN N N 96 113.295 113.295 117.018 -3.723 19413 8234 1 10 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.208 0.343 19413 8235 1 10 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.038 1.188 19413 8236 1 10 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.023 0.656 19413 8237 1 10 . 1 1 96 96 GLN H H 96 8.184 8.184 8.089 0.095 19413 8238 1 10 . 1 1 97 97 LYS N N 97 118.621 118.621 119.920 -1.299 19413 8239 1 10 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.061 0.626 19413 8240 1 10 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.833 -1.674 19413 8241 1 10 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.914 -0.372 19413 8242 1 10 . 1 1 97 97 LYS H H 97 8.231 8.231 7.624 0.607 19413 8243 1 10 . 1 1 98 98 THR N N 98 110.486 110.486 110.601 -0.115 19413 8244 1 10 . 1 1 98 98 THR HA H 98 4.285 4.285 4.315 -0.030 19413 8245 1 10 . 1 1 98 98 THR CA C 98 62.420 62.420 62.152 0.268 19413 8246 1 10 . 1 1 98 98 THR CB C 98 68.343 68.343 69.968 -1.625 19413 8247 1 10 . 1 1 98 98 THR H H 98 8.612 8.612 7.979 0.633 19413 8248 1 10 . 1 1 99 99 GLN N N 99 115.751 115.751 117.045 -1.294 19413 8249 1 10 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.159 0.026 19413 8250 1 10 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.014 -0.028 19413 8251 1 10 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.309 -0.686 19413 8252 1 10 . 1 1 99 99 GLN H H 99 6.979 6.979 7.748 -0.769 19413 8253 1 10 . 1 1 100 100 THR N N 100 108.660 108.660 112.092 -3.432 19413 8254 1 10 . 1 1 100 100 THR HA H 100 4.350 4.350 4.111 0.239 19413 8255 1 10 . 1 1 100 100 THR CA C 100 61.035 61.035 63.539 -2.504 19413 8256 1 10 . 1 1 100 100 THR CB C 100 68.306 68.306 69.106 -0.800 19413 8257 1 10 . 1 1 100 100 THR H H 100 8.362 8.362 7.694 0.668 19413 8258 1 10 . 1 1 101 101 VAL N N 101 121.417 121.417 123.270 -1.853 19413 8259 1 10 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.798 0.395 19413 8260 1 10 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.632 -2.665 19413 8261 1 10 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.827 0.522 19413 8262 1 10 . 1 1 101 101 VAL H H 101 7.376 7.376 7.931 -0.555 19413 8263 1 10 . 1 1 102 102 GLN N N 102 127.472 127.472 125.607 1.865 19413 8264 1 10 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.500 0.064 19413 8265 1 10 . 1 1 102 102 GLN CA C 102 55.116 55.116 56.043 -0.927 19413 8266 1 10 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.179 -0.411 19413 8267 1 10 . 1 1 102 102 GLN H H 102 9.583 9.583 8.488 1.095 19413 8268 1 10 . 1 1 103 103 SER N N 103 116.698 116.698 113.322 3.376 19413 8269 1 10 . 1 1 103 103 SER HA H 103 4.883 4.883 4.619 0.264 19413 8270 1 10 . 1 1 103 103 SER CA C 103 56.423 56.423 57.025 -0.602 19413 8271 1 10 . 1 1 103 103 SER CB C 103 66.834 66.834 65.610 1.224 19413 8272 1 10 . 1 1 103 103 SER H H 103 8.539 8.539 7.714 0.825 19413 8273 1 10 . 1 1 104 104 VAL N N 104 120.375 120.375 122.492 -2.117 19413 8274 1 10 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.649 0.091 19413 8275 1 10 . 1 1 104 104 VAL CA C 104 65.756 65.756 65.730 0.026 19413 8276 1 10 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.021 -0.092 19413 8277 1 10 . 1 1 104 104 VAL H H 104 8.929 8.929 8.868 0.061 19413 8278 1 10 . 1 1 105 105 ALA N N 105 125.255 125.255 121.138 4.117 19413 8279 1 10 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.026 -0.026 19413 8280 1 10 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.980 -0.075 19413 8281 1 10 . 1 1 105 105 ALA CB C 105 18.053 18.053 18.119 -0.066 19413 8282 1 10 . 1 1 105 105 ALA H H 105 8.099 8.099 8.204 -0.105 19413 8283 1 10 . 1 1 106 106 ASP N N 106 118.317 118.317 117.556 0.761 19413 8284 1 10 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.566 -0.191 19413 8285 1 10 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.148 0.516 19413 8286 1 10 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.819 0.948 19413 8287 1 10 . 1 1 106 106 ASP H H 106 7.603 7.603 8.068 -0.465 19413 8288 1 10 . 1 1 107 107 ILE N N 107 120.210 120.210 119.663 0.547 19413 8289 1 10 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.942 -0.611 19413 8290 1 10 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.386 1.223 19413 8291 1 10 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.112 -0.222 19413 8292 1 10 . 1 1 107 107 ILE H H 107 7.342 7.342 7.038 0.304 19413 8293 1 10 . 1 1 108 108 ARG N N 108 119.234 119.234 119.002 0.232 19413 8294 1 10 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.250 -0.453 19413 8295 1 10 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.914 -0.258 19413 8296 1 10 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.863 0.979 19413 8297 1 10 . 1 1 108 108 ARG H H 108 6.677 6.677 8.280 -1.603 19413 8298 1 10 . 1 1 109 109 LYS N N 109 117.662 117.662 120.614 -2.952 19413 8299 1 10 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.988 -0.142 19413 8300 1 10 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.502 -0.283 19413 8301 1 10 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.152 -0.178 19413 8302 1 10 . 1 1 109 109 LYS H H 109 7.164 7.164 7.457 -0.293 19413 8303 1 10 . 1 1 110 110 VAL N N 110 118.257 118.257 118.976 -0.719 19413 8304 1 10 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.689 -0.048 19413 8305 1 10 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.442 -0.380 19413 8306 1 10 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.436 -0.212 19413 8307 1 10 . 1 1 110 110 VAL H H 110 7.269 7.269 7.480 -0.211 19413 8308 1 10 . 1 1 111 111 PHE N N 111 118.699 118.699 117.616 1.083 19413 8309 1 10 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.158 -0.248 19413 8310 1 10 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.838 -1.358 19413 8311 1 10 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.219 0.203 19413 8312 1 10 . 1 1 111 111 PHE H H 111 7.411 7.411 7.850 -0.439 19413 8313 1 10 . 1 1 112 112 VAL N N 112 121.527 121.527 120.400 1.127 19413 8314 1 10 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.947 0.664 19413 8315 1 10 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.837 -1.118 19413 8316 1 10 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.537 -0.166 19413 8317 1 10 . 1 1 112 112 VAL H H 112 8.424 8.424 7.656 0.768 19413 8318 1 10 . 1 1 113 113 ASP N N 113 124.032 124.032 121.677 2.355 19413 8319 1 10 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.450 -0.003 19413 8320 1 10 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.902 -0.224 19413 8321 1 10 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.407 -1.127 19413 8322 1 10 . 1 1 113 113 ASP H H 113 9.048 9.048 8.570 0.478 19413 8323 1 10 . 1 1 114 114 ALA N N 114 121.399 121.399 119.196 2.203 19413 8324 1 10 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.309 0.158 19413 8325 1 10 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.363 -0.485 19413 8326 1 10 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.171 -0.558 19413 8327 1 10 . 1 1 114 114 ALA H H 114 7.505 7.505 8.019 -0.514 19413 8328 1 10 . 1 1 115 115 GLY N N 115 105.755 105.755 106.325 -0.570 19413 8329 1 10 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.729 0.374 19413 8330 1 10 . 1 1 115 115 GLY H H 115 7.895 7.895 7.795 0.100 19413 8331 1 10 . 1 1 116 116 VAL N N 116 124.542 124.542 120.585 3.957 19413 8332 1 10 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.320 -0.300 19413 8333 1 10 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.518 1.083 19413 8334 1 10 . 1 1 116 116 VAL CB C 116 31.739 31.739 33.866 -2.127 19413 8335 1 10 . 1 1 116 116 VAL H H 116 8.095 8.095 7.901 0.194 19413 8336 1 10 . 1 1 117 117 LYS N N 117 128.363 128.363 126.343 2.020 19413 8337 1 10 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.254 -0.071 19413 8338 1 10 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.222 -0.138 19413 8339 1 10 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.279 -1.467 19413 8340 1 10 . 1 1 117 117 LYS H H 117 9.102 9.102 8.989 0.113 19413 8341 1 10 . 1 1 118 118 GLY N N 118 116.049 116.049 114.198 1.851 19413 8342 1 10 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.990 0.678 19413 8343 1 10 . 1 1 118 118 GLY H H 118 9.300 9.300 9.087 0.213 19413 8344 1 10 . 1 1 119 119 GLU N N 119 118.512 118.512 119.880 -1.368 19413 8345 1 10 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.162 0.064 19413 8346 1 10 . 1 1 119 119 GLU CA C 119 59.523 59.523 59.127 0.396 19413 8347 1 10 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.296 -0.483 19413 8348 1 10 . 1 1 119 119 GLU H H 119 9.501 9.501 8.717 0.784 19413 8349 1 10 . 1 1 120 120 ASP N N 120 121.262 121.262 119.627 1.635 19413 8350 1 10 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.500 0.079 19413 8351 1 10 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.967 -0.408 19413 8352 1 10 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.040 -1.408 19413 8353 1 10 . 1 1 120 120 ASP H H 120 7.088 7.088 7.466 -0.378 19413 8354 1 10 . 1 1 121 121 TYR N N 121 123.619 123.619 120.921 2.698 19413 8355 1 10 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.070 -0.348 19413 8356 1 10 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.393 -0.242 19413 8357 1 10 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.655 -0.653 19413 8358 1 10 . 1 1 121 121 TYR H H 121 7.986 7.986 8.596 -0.610 19413 8359 1 10 . 1 1 122 122 ASP N N 122 119.702 119.702 118.255 1.447 19413 8360 1 10 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.556 -0.302 19413 8361 1 10 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.013 1.109 19413 8362 1 10 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.935 -1.324 19413 8363 1 10 . 1 1 122 122 ASP H H 122 8.812 8.812 8.018 0.794 19413 8364 1 10 . 1 1 123 123 ALA N N 123 121.138 121.138 121.530 -0.392 19413 8365 1 10 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.346 -0.120 19413 8366 1 10 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.444 -0.214 19413 8367 1 10 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.006 -0.880 19413 8368 1 10 . 1 1 123 123 ALA H H 123 7.696 7.696 7.811 -0.115 19413 8369 1 10 . 1 1 124 124 ALA N N 124 120.299 120.299 122.511 -2.212 19413 8370 1 10 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.049 0.057 19413 8371 1 10 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.838 -0.512 19413 8372 1 10 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.136 0.429 19413 8373 1 10 . 1 1 124 124 ALA H H 124 7.935 7.935 8.307 -0.372 19413 8374 1 10 . 1 1 125 125 TRP N N 125 121.357 121.357 119.942 1.415 19413 8375 1 10 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.179 -0.703 19413 8376 1 10 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.580 0.883 19413 8377 1 10 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.330 -0.953 19413 8378 1 10 . 1 1 125 125 TRP H H 125 8.948 8.948 8.440 0.508 19413 8379 1 10 . 1 1 126 126 ASN N N 126 110.817 110.817 112.648 -1.831 19413 8380 1 10 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.679 0.164 19413 8381 1 10 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.505 0.017 19413 8382 1 10 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.556 0.514 19413 8383 1 10 . 1 1 126 126 ASN H H 126 7.024 7.024 7.876 -0.852 19413 8384 1 10 . 1 1 127 127 SER N N 127 116.650 116.650 115.854 0.796 19413 8385 1 10 . 1 1 127 127 SER HA H 127 4.472 4.472 4.497 -0.025 19413 8386 1 10 . 1 1 127 127 SER CA C 127 58.535 58.535 57.369 1.166 19413 8387 1 10 . 1 1 127 127 SER CB C 127 65.513 65.513 64.452 1.061 19413 8388 1 10 . 1 1 127 127 SER H H 127 7.831 7.831 7.772 0.059 19413 8389 1 10 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.248 0.030 19413 8390 1 10 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.836 0.220 19413 8391 1 10 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.175 -0.807 19413 8392 1 10 . 1 1 129 129 VAL N N 129 120.058 120.058 118.677 1.381 19413 8393 1 10 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.716 -0.002 19413 8394 1 10 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.600 -0.928 19413 8395 1 10 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.094 0.684 19413 8396 1 10 . 1 1 129 129 VAL H H 129 8.340 8.340 7.569 0.771 19413 8397 1 10 . 1 1 130 130 VAL N N 130 122.552 122.552 119.342 3.210 19413 8398 1 10 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.623 -0.112 19413 8399 1 10 . 1 1 130 130 VAL CA C 130 66.834 66.834 65.976 0.858 19413 8400 1 10 . 1 1 130 130 VAL CB C 130 31.224 31.224 30.824 0.400 19413 8401 1 10 . 1 1 130 130 VAL H H 130 7.163 7.163 7.746 -0.583 19413 8402 1 10 . 1 1 131 131 LYS N N 131 122.079 122.079 120.203 1.876 19413 8403 1 10 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.757 -0.001 19413 8404 1 10 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.264 0.470 19413 8405 1 10 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.163 0.354 19413 8406 1 10 . 1 1 131 131 LYS H H 131 7.852 7.852 7.499 0.353 19413 8407 1 10 . 1 1 132 132 SER N N 132 115.836 115.836 115.019 0.817 19413 8408 1 10 . 1 1 132 132 SER HA H 132 4.155 4.155 4.096 0.059 19413 8409 1 10 . 1 1 132 132 SER CA C 132 61.022 61.022 61.406 -0.384 19413 8410 1 10 . 1 1 132 132 SER CB C 132 62.309 62.309 62.803 -0.494 19413 8411 1 10 . 1 1 132 132 SER H H 132 8.258 8.258 7.653 0.605 19413 8412 1 10 . 1 1 133 133 LEU N N 133 124.754 124.754 122.017 2.737 19413 8413 1 10 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.968 0.229 19413 8414 1 10 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.603 -0.039 19413 8415 1 10 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.908 2.252 19413 8416 1 10 . 1 1 133 133 LEU H H 133 8.140 8.140 7.523 0.617 19413 8417 1 10 . 1 1 134 134 VAL N N 134 123.461 123.461 120.309 3.152 19413 8418 1 10 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.387 -0.106 19413 8419 1 10 . 1 1 134 134 VAL CA C 134 68.857 68.857 67.048 1.809 19413 8420 1 10 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.509 -0.653 19413 8421 1 10 . 1 1 134 134 VAL H H 134 8.718 8.718 8.440 0.278 19413 8422 1 10 . 1 1 135 135 ALA N N 135 121.739 121.739 120.562 1.177 19413 8423 1 10 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.873 0.291 19413 8424 1 10 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.081 -0.152 19413 8425 1 10 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.030 -0.604 19413 8426 1 10 . 1 1 135 135 ALA H H 135 7.513 7.513 8.166 -0.653 19413 8427 1 10 . 1 1 136 136 GLN N N 136 119.033 119.033 118.072 0.961 19413 8428 1 10 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.922 0.154 19413 8429 1 10 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.416 -0.307 19413 8430 1 10 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.441 0.644 19413 8431 1 10 . 1 1 136 136 GLN H H 136 8.473 8.473 8.607 -0.134 19413 8432 1 10 . 1 1 137 137 GLN N N 137 119.734 119.734 118.514 1.220 19413 8433 1 10 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.100 -0.588 19413 8434 1 10 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.533 1.349 19413 8435 1 10 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.523 2.320 19413 8436 1 10 . 1 1 137 137 GLN H H 137 7.995 7.995 7.717 0.278 19413 8437 1 10 . 1 1 138 138 GLU N N 138 121.309 121.309 120.129 1.180 19413 8438 1 10 . 1 1 138 138 GLU HA H 138 3.935 3.935 3.997 -0.062 19413 8439 1 10 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.376 -0.399 19413 8440 1 10 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.489 -0.524 19413 8441 1 10 . 1 1 138 138 GLU H H 138 8.291 8.291 8.570 -0.279 19413 8442 1 10 . 1 1 139 139 LYS N N 139 122.121 122.121 120.275 1.846 19413 8443 1 10 . 1 1 139 139 LYS HA H 139 4.117 4.117 3.971 0.146 19413 8444 1 10 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.605 -0.681 19413 8445 1 10 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.484 0.108 19413 8446 1 10 . 1 1 139 139 LYS H H 139 8.603 8.603 8.064 0.539 19413 8447 1 10 . 1 1 140 140 ALA N N 140 120.286 120.286 118.823 1.463 19413 8448 1 10 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.670 -0.260 19413 8449 1 10 . 1 1 140 140 ALA CA C 140 55.063 55.063 54.013 1.050 19413 8450 1 10 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.856 -0.410 19413 8451 1 10 . 1 1 140 140 ALA H H 140 8.140 8.140 8.292 -0.152 19413 8452 1 10 . 1 1 141 141 ALA N N 141 116.994 116.994 119.031 -2.037 19413 8453 1 10 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.333 -0.685 19413 8454 1 10 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.410 2.106 19413 8455 1 10 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.101 -2.100 19413 8456 1 10 . 1 1 141 141 ALA H H 141 7.251 7.251 7.606 -0.355 19413 8457 1 10 . 1 1 142 142 ALA N N 142 121.272 121.272 122.707 -1.435 19413 8458 1 10 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.183 0.001 19413 8459 1 10 . 1 1 142 142 ALA CA C 142 54.657 54.657 54.378 0.279 19413 8460 1 10 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.961 -0.744 19413 8461 1 10 . 1 1 142 142 ALA H H 142 7.940 7.940 8.268 -0.328 19413 8462 1 10 . 1 1 143 143 ASP N N 143 121.599 121.599 117.581 4.018 19413 8463 1 10 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.577 -0.241 19413 8464 1 10 . 1 1 143 143 ASP CA C 143 56.975 56.975 54.766 2.209 19413 8465 1 10 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.178 -1.143 19413 8466 1 10 . 1 1 143 143 ASP H H 143 9.272 9.272 8.120 1.152 19413 8467 1 10 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.822 0.289 19413 8468 1 10 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.720 -1.173 19413 8469 1 10 . 1 1 144 144 LEU CB C 144 41.055 41.055 39.242 1.813 19413 8470 1 10 . 1 1 145 145 GLN N N 145 116.940 116.940 116.732 0.208 19413 8471 1 10 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.100 -0.348 19413 8472 1 10 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.491 -0.668 19413 8473 1 10 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.141 -3.009 19413 8474 1 10 . 1 1 145 145 GLN H H 145 7.750 7.750 8.067 -0.317 19413 8475 1 10 . 1 1 146 146 LEU N N 146 119.399 119.399 119.673 -0.274 19413 8476 1 10 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.640 -0.754 19413 8477 1 10 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.248 1.065 19413 8478 1 10 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.632 0.510 19413 8479 1 10 . 1 1 146 146 LEU H H 146 7.516 7.516 7.585 -0.069 19413 8480 1 10 . 1 1 147 147 GLN N N 147 123.118 123.118 122.889 0.229 19413 8481 1 10 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.298 -0.151 19413 8482 1 10 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.303 -0.436 19413 8483 1 10 . 1 1 147 147 GLN CB C 147 30.525 30.525 29.606 0.919 19413 8484 1 10 . 1 1 147 147 GLN H H 147 8.895 8.895 8.486 0.409 19413 8485 1 10 . 1 1 148 148 GLY N N 148 106.555 106.555 109.007 -2.452 19413 8486 1 10 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.755 0.349 19413 8487 1 10 . 1 1 148 148 GLY H H 148 7.275 7.275 7.821 -0.546 19413 8488 1 10 . 1 1 149 149 VAL N N 149 110.030 110.030 116.635 -6.605 19413 8489 1 10 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.542 -0.071 19413 8490 1 10 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.746 -1.109 19413 8491 1 10 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.220 2.462 19413 8492 1 10 . 1 1 149 149 VAL H H 149 8.267 8.267 8.166 0.101 19413 8493 1 10 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.882 -0.072 19413 8494 1 10 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.572 -0.428 19413 8495 1 10 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.557 2.369 19413 8496 1 10 . 1 1 151 151 ALA N N 151 123.567 123.567 124.596 -1.029 19413 8497 1 10 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.837 0.048 19413 8498 1 10 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.533 0.092 19413 8499 1 10 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.651 2.196 19413 8500 1 10 . 1 1 151 151 ALA H H 151 8.249 8.249 9.109 -0.860 19413 8501 1 10 . 1 1 152 152 MET N N 152 121.866 121.866 124.904 -3.038 19413 8502 1 10 . 1 1 152 152 MET HA H 152 5.724 5.724 5.343 0.381 19413 8503 1 10 . 1 1 152 152 MET CA C 152 55.487 55.487 54.709 0.778 19413 8504 1 10 . 1 1 152 152 MET CB C 152 36.830 36.830 35.755 1.075 19413 8505 1 10 . 1 1 152 152 MET H H 152 8.610 8.610 8.583 0.027 19413 8506 1 10 . 1 1 153 153 TYR N N 153 124.782 124.782 124.366 0.416 19413 8507 1 10 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.437 0.317 19413 8508 1 10 . 1 1 153 153 TYR CA C 153 56.208 56.208 56.938 -0.730 19413 8509 1 10 . 1 1 153 153 TYR CB C 153 42.990 42.990 41.008 1.982 19413 8510 1 10 . 1 1 153 153 TYR H H 153 9.685 9.685 9.132 0.553 19413 8511 1 10 . 1 1 154 154 VAL N N 154 121.914 121.914 118.990 2.924 19413 8512 1 10 . 1 1 154 154 VAL CB C 154 34.660 34.660 36.081 -1.421 19413 8513 1 10 . 1 1 154 154 VAL H H 154 9.441 9.441 9.076 0.365 19413 8514 1 10 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.349 0.390 19413 8515 1 10 . 1 1 155 155 ASN CA C 155 54.473 54.473 53.832 0.641 19413 8516 1 10 . 1 1 155 155 ASN CB C 155 37.154 37.154 37.934 -0.780 19413 8517 1 10 . 1 1 156 156 GLY N N 156 106.059 106.059 104.566 1.493 19413 8518 1 10 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.161 0.025 19413 8519 1 10 . 1 1 156 156 GLY H H 156 9.354 9.354 8.157 1.197 19413 8520 1 10 . 1 1 157 157 LYS N N 157 114.357 114.357 114.669 -0.312 19413 8521 1 10 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.408 0.144 19413 8522 1 10 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.959 0.796 19413 8523 1 10 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.528 2.260 19413 8524 1 10 . 1 1 157 157 LYS H H 157 7.877 7.877 7.943 -0.066 19413 8525 1 10 . 1 1 158 158 TYR N N 158 117.900 117.900 119.095 -1.195 19413 8526 1 10 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.500 0.364 19413 8527 1 10 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.198 -1.342 19413 8528 1 10 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.288 0.591 19413 8529 1 10 . 1 1 158 158 TYR H H 158 7.876 7.876 8.167 -0.291 19413 8530 1 10 . 1 1 159 159 GLN N N 159 125.094 125.094 120.696 4.398 19413 8531 1 10 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.094 -0.341 19413 8532 1 10 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.669 -0.263 19413 8533 1 10 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.092 -1.242 19413 8534 1 10 . 1 1 159 159 GLN H H 159 9.701 9.701 9.287 0.414 19413 8535 1 10 . 1 1 160 160 LEU N N 160 131.941 131.941 125.785 6.156 19413 8536 1 10 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.205 -0.194 19413 8537 1 10 . 1 1 160 160 LEU CA C 160 53.995 53.995 54.909 -0.914 19413 8538 1 10 . 1 1 160 160 LEU CB C 160 40.075 40.075 40.943 -0.868 19413 8539 1 10 . 1 1 160 160 LEU H H 160 8.551 8.551 8.185 0.366 19413 8540 1 10 . 1 1 161 161 ASN N N 161 118.639 118.639 124.245 -5.606 19413 8541 1 10 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.100 0.396 19413 8542 1 10 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.812 -0.043 19413 8543 1 10 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.383 -0.472 19413 8544 1 10 . 1 1 161 161 ASN H H 161 8.285 8.285 8.024 0.261 19413 8545 1 10 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.784 0.005 19413 8546 1 10 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.862 -0.088 19413 8547 1 10 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.976 -0.798 19413 8548 1 10 . 1 1 163 163 GLN N N 163 116.006 116.006 118.905 -2.899 19413 8549 1 10 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.144 0.082 19413 8550 1 10 . 1 1 163 163 GLN CA C 163 57.966 57.966 58.437 -0.471 19413 8551 1 10 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.341 -0.365 19413 8552 1 10 . 1 1 163 163 GLN H H 163 8.086 8.086 8.168 -0.082 19413 8553 1 10 . 1 1 164 164 GLY N N 164 107.393 107.393 104.666 2.727 19413 8554 1 10 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.636 -0.034 19413 8555 1 10 . 1 1 164 164 GLY H H 164 8.030 8.030 8.250 -0.220 19413 8556 1 10 . 1 1 165 165 MET N N 165 119.802 119.802 119.317 0.485 19413 8557 1 10 . 1 1 165 165 MET HA H 165 4.636 4.636 4.460 0.176 19413 8558 1 10 . 1 1 165 165 MET CA C 165 54.567 54.567 55.846 -1.279 19413 8559 1 10 . 1 1 165 165 MET CB C 165 34.464 34.464 33.849 0.615 19413 8560 1 10 . 1 1 165 165 MET H H 165 7.451 7.451 7.392 0.059 19413 8561 1 10 . 1 1 166 166 ASP N N 166 121.681 121.681 119.791 1.890 19413 8562 1 10 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.617 0.016 19413 8563 1 10 . 1 1 166 166 ASP CA C 166 54.181 54.181 55.022 -0.841 19413 8564 1 10 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.890 -1.237 19413 8565 1 10 . 1 1 166 166 ASP H H 166 8.694 8.694 8.686 0.008 19413 8566 1 10 . 1 1 167 167 THR N N 167 112.609 112.609 115.106 -2.497 19413 8567 1 10 . 1 1 167 167 THR HA H 167 4.224 4.224 4.640 -0.416 19413 8568 1 10 . 1 1 167 167 THR CA C 167 60.340 60.340 61.076 -0.736 19413 8569 1 10 . 1 1 167 167 THR CB C 167 68.416 68.416 68.335 0.081 19413 8570 1 10 . 1 1 167 167 THR H H 167 7.860 7.860 8.454 -0.594 19413 8571 1 10 . 1 1 168 168 SER N N 168 118.936 118.936 115.959 2.977 19413 8572 1 10 . 1 1 168 168 SER HA H 168 4.158 4.158 4.563 -0.405 19413 8573 1 10 . 1 1 168 168 SER CA C 168 60.874 60.874 58.605 2.269 19413 8574 1 10 . 1 1 168 168 SER CB C 168 63.123 63.123 64.260 -1.137 19413 8575 1 10 . 1 1 168 168 SER H H 168 8.739 8.739 8.311 0.428 19413 8576 1 10 . 1 1 169 169 ASN N N 169 117.875 117.875 118.630 -0.755 19413 8577 1 10 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.852 -0.079 19413 8578 1 10 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.123 -0.775 19413 8579 1 10 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.599 1.093 19413 8580 1 10 . 1 1 169 169 ASN H H 169 7.341 7.341 8.323 -0.982 19413 8581 1 10 . 1 1 170 170 MET N N 170 123.431 123.431 116.978 6.453 19413 8582 1 10 . 1 1 170 170 MET HA H 170 4.600 4.600 4.022 0.578 19413 8583 1 10 . 1 1 170 170 MET CA C 170 57.233 57.233 58.537 -1.304 19413 8584 1 10 . 1 1 170 170 MET CB C 170 32.751 32.751 30.414 2.337 19413 8585 1 10 . 1 1 170 170 MET H H 170 9.186 9.186 8.172 1.014 19413 8586 1 10 . 1 1 171 171 ASP N N 171 120.825 120.825 120.410 0.415 19413 8587 1 10 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.331 0.162 19413 8588 1 10 . 1 1 171 171 ASP CA C 171 57.506 57.506 58.203 -0.697 19413 8589 1 10 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.162 -1.374 19413 8590 1 10 . 1 1 171 171 ASP H H 171 8.232 8.232 8.261 -0.029 19413 8591 1 10 . 1 1 172 172 VAL N N 172 122.666 122.666 117.993 4.673 19413 8592 1 10 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.811 -0.033 19413 8593 1 10 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.516 0.023 19413 8594 1 10 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.396 0.459 19413 8595 1 10 . 1 1 172 172 VAL H H 172 7.872 7.872 7.938 -0.066 19413 8596 1 10 . 1 1 173 173 PHE N N 173 121.872 121.872 122.670 -0.798 19413 8597 1 10 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.407 -0.027 19413 8598 1 10 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.043 0.421 19413 8599 1 10 . 1 1 173 173 PHE CB C 173 39.274 39.274 39.020 0.254 19413 8600 1 10 . 1 1 173 173 PHE H H 173 8.250 8.250 7.688 0.562 19413 8601 1 10 . 1 1 174 174 VAL N N 174 117.535 117.535 118.468 -0.933 19413 8602 1 10 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.221 -0.178 19413 8603 1 10 . 1 1 174 174 VAL CA C 174 66.903 66.903 64.594 2.309 19413 8604 1 10 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.149 1.222 19413 8605 1 10 . 1 1 174 174 VAL H H 174 8.138 8.138 7.463 0.675 19413 8606 1 10 . 1 1 175 175 ALA N N 175 121.129 121.129 123.438 -2.309 19413 8607 1 10 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.844 0.282 19413 8608 1 10 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.419 -0.650 19413 8609 1 10 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.270 -0.255 19413 8610 1 10 . 1 1 175 175 ALA H H 175 7.396 7.396 8.472 -1.076 19413 8611 1 10 . 1 1 176 176 GLN N N 176 120.043 120.043 117.266 2.777 19413 8612 1 10 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.031 0.048 19413 8613 1 10 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.355 0.608 19413 8614 1 10 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.202 -1.153 19413 8615 1 10 . 1 1 176 176 GLN H H 176 8.721 8.721 7.571 1.150 19413 8616 1 10 . 1 1 177 177 TYR N N 177 127.981 127.981 122.643 5.338 19413 8617 1 10 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.942 -0.351 19413 8618 1 10 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.567 -0.005 19413 8619 1 10 . 1 1 177 177 TYR CB C 177 37.978 37.978 37.959 0.019 19413 8620 1 10 . 1 1 177 177 TYR H H 177 9.002 9.002 8.394 0.608 19413 8621 1 10 . 1 1 178 178 ALA N N 178 119.796 119.796 118.733 1.063 19413 8622 1 10 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.938 0.092 19413 8623 1 10 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.123 0.282 19413 8624 1 10 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.009 -0.040 19413 8625 1 10 . 1 1 178 178 ALA H H 178 8.392 8.392 8.267 0.125 19413 8626 1 10 . 1 1 179 179 ASP N N 179 117.823 117.823 118.157 -0.334 19413 8627 1 10 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.388 0.032 19413 8628 1 10 . 1 1 179 179 ASP CA C 179 57.296 57.296 56.745 0.551 19413 8629 1 10 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.500 1.303 19413 8630 1 10 . 1 1 179 179 ASP H H 179 8.379 8.379 7.346 1.033 19413 8631 1 10 . 1 1 180 180 THR N N 180 117.846 117.846 116.207 1.639 19413 8632 1 10 . 1 1 180 180 THR HA H 180 4.179 4.179 4.047 0.132 19413 8633 1 10 . 1 1 180 180 THR CA C 180 67.378 67.378 65.943 1.435 19413 8634 1 10 . 1 1 180 180 THR CB C 180 67.733 67.733 68.543 -0.810 19413 8635 1 10 . 1 1 180 180 THR H H 180 8.255 8.255 7.860 0.395 19413 8636 1 10 . 1 1 181 181 VAL N N 181 120.101 120.101 121.346 -1.245 19413 8637 1 10 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.472 -0.291 19413 8638 1 10 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.632 1.148 19413 8639 1 10 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.431 -0.500 19413 8640 1 10 . 1 1 181 181 VAL H H 181 7.772 7.772 7.971 -0.199 19413 8641 1 10 . 1 1 182 182 LYS N N 182 119.144 119.144 118.103 1.041 19413 8642 1 10 . 1 1 182 182 LYS HA H 182 3.630 3.630 4.108 -0.478 19413 8643 1 10 . 1 1 182 182 LYS CA C 182 60.361 60.361 58.538 1.823 19413 8644 1 10 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.369 -0.089 19413 8645 1 10 . 1 1 182 182 LYS H H 182 7.758 7.758 7.718 0.040 19413 8646 1 10 . 1 1 183 183 GLN N N 183 116.269 116.269 120.281 -4.012 19413 8647 1 10 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.936 0.049 19413 8648 1 10 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.816 0.467 19413 8649 1 10 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.629 0.694 19413 8650 1 10 . 1 1 183 183 GLN H H 183 8.114 8.114 7.946 0.168 19413 8651 1 10 . 1 1 184 184 LEU N N 184 119.688 119.688 117.256 2.432 19413 8652 1 10 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.772 -0.137 19413 8653 1 10 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.684 0.358 19413 8654 1 10 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.736 0.324 19413 8655 1 10 . 1 1 184 184 LEU H H 184 8.000 8.000 7.982 0.018 19413 8656 1 10 . 1 1 185 185 VAL N N 185 121.017 121.017 115.245 5.772 19413 8657 1 10 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.803 -0.291 19413 8658 1 10 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.237 0.505 19413 8659 1 10 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.932 -0.368 19413 8660 1 10 . 1 1 185 185 VAL H H 185 8.494 8.494 7.417 1.077 19413 8661 1 10 . 1 1 186 186 GLU N N 186 117.535 117.535 118.241 -0.706 19413 8662 1 10 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.275 -0.155 19413 8663 1 10 . 1 1 186 186 GLU CA C 186 57.159 57.159 57.878 -0.719 19413 8664 1 10 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.664 0.125 19413 8665 1 10 . 1 1 186 186 GLU H H 186 7.541 7.541 7.604 -0.063 19413 8666 1 10 . 1 1 187 187 LYS N N 187 121.929 121.929 121.296 0.633 19413 8667 1 10 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.421 -0.295 19413 8668 1 10 . 1 1 187 187 LYS CA C 187 57.748 57.748 54.734 3.014 19413 8669 1 10 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.049 1.669 19413 8670 1 10 . 1 1 187 187 LYS H H 187 7.358 7.358 7.512 -0.154 19413 8671 1 11 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.557 0.214 19413 8672 1 11 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.659 -0.371 19413 8673 1 11 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.732 0.189 19413 8674 1 11 . 1 1 1 1 ALA N N 1 125.275 125.275 120.092 5.183 19413 8675 1 11 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.849 0.470 19413 8676 1 11 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.379 -1.346 19413 8677 1 11 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.748 1.376 19413 8678 1 11 . 1 1 1 1 ALA H H 1 8.441 8.441 8.678 -0.237 19413 8679 1 11 . 1 1 2 2 GLN N N 2 121.120 121.120 116.877 4.243 19413 8680 1 11 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.522 -0.043 19413 8681 1 11 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.744 -0.331 19413 8682 1 11 . 1 1 2 2 GLN CB C 2 29.494 29.494 32.007 -2.513 19413 8683 1 11 . 1 1 2 2 GLN H H 2 8.334 8.334 8.241 0.093 19413 8684 1 11 . 1 1 3 3 ILE N N 3 120.380 120.380 119.639 0.741 19413 8685 1 11 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.944 -0.533 19413 8686 1 11 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.263 1.530 19413 8687 1 11 . 1 1 3 3 ILE CB C 3 39.691 39.691 41.396 -1.705 19413 8688 1 11 . 1 1 3 3 ILE H H 3 8.197 8.197 7.931 0.266 19413 8689 1 11 . 1 1 4 4 THR N N 4 120.223 120.223 119.850 0.373 19413 8690 1 11 . 1 1 4 4 THR HA H 4 4.566 4.566 4.626 -0.060 19413 8691 1 11 . 1 1 4 4 THR CA C 4 61.500 61.500 61.217 0.283 19413 8692 1 11 . 1 1 4 4 THR CB C 4 71.727 71.727 70.482 1.245 19413 8693 1 11 . 1 1 4 4 THR H H 4 9.119 9.119 9.198 -0.079 19413 8694 1 11 . 1 1 5 5 ASP N N 5 128.193 128.193 126.017 2.176 19413 8695 1 11 . 1 1 5 5 ASP HA H 5 3.146 3.146 2.741 0.405 19413 8696 1 11 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.703 0.646 19413 8697 1 11 . 1 1 5 5 ASP CB C 5 41.001 41.001 39.556 1.445 19413 8698 1 11 . 1 1 5 5 ASP H H 5 8.510 8.510 8.699 -0.189 19413 8699 1 11 . 1 1 6 6 GLY N N 6 117.400 117.400 113.939 3.461 19413 8700 1 11 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.366 -0.384 19413 8701 1 11 . 1 1 6 6 GLY H H 6 8.608 8.608 8.689 -0.081 19413 8702 1 11 . 1 1 7 7 LYS N N 7 122.122 122.122 120.514 1.608 19413 8703 1 11 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.519 0.083 19413 8704 1 11 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.686 -0.022 19413 8705 1 11 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.497 -1.734 19413 8706 1 11 . 1 1 7 7 LYS H H 7 8.131 8.131 7.661 0.470 19413 8707 1 11 . 1 1 8 8 GLN N N 8 115.920 115.920 116.313 -0.393 19413 8708 1 11 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.455 -0.326 19413 8709 1 11 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.797 1.270 19413 8710 1 11 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.069 -2.983 19413 8711 1 11 . 1 1 8 8 GLN H H 8 8.548 8.548 7.884 0.664 19413 8712 1 11 . 1 1 9 9 TYR N N 9 112.118 112.118 114.034 -1.916 19413 8713 1 11 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.546 -0.428 19413 8714 1 11 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.525 -0.787 19413 8715 1 11 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.491 -0.314 19413 8716 1 11 . 1 1 9 9 TYR H H 9 7.572 7.572 7.451 0.121 19413 8717 1 11 . 1 1 10 10 ILE N N 10 119.488 119.488 118.397 1.091 19413 8718 1 11 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.638 -0.057 19413 8719 1 11 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.480 0.518 19413 8720 1 11 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.760 0.243 19413 8721 1 11 . 1 1 10 10 ILE H H 10 9.365 9.365 9.337 0.028 19413 8722 1 11 . 1 1 11 11 THR N N 11 126.054 126.054 118.001 8.053 19413 8723 1 11 . 1 1 11 11 THR HA H 11 4.837 4.837 5.085 -0.248 19413 8724 1 11 . 1 1 11 11 THR CA C 11 63.376 63.376 60.586 2.790 19413 8725 1 11 . 1 1 11 11 THR CB C 11 68.487 68.487 70.479 -1.992 19413 8726 1 11 . 1 1 11 11 THR H H 11 9.153 9.153 8.274 0.879 19413 8727 1 11 . 1 1 12 12 LEU N N 12 129.370 129.370 121.878 7.492 19413 8728 1 11 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.495 -0.246 19413 8729 1 11 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.032 1.254 19413 8730 1 11 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.653 -1.147 19413 8731 1 11 . 1 1 12 12 LEU H H 12 8.636 8.636 8.043 0.593 19413 8732 1 11 . 1 1 13 13 ASP N N 13 122.179 122.179 120.026 2.153 19413 8733 1 11 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.539 -0.101 19413 8734 1 11 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.835 -0.111 19413 8735 1 11 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.576 -0.691 19413 8736 1 11 . 1 1 13 13 ASP H H 13 8.494 8.494 8.314 0.180 19413 8737 1 11 . 1 1 14 14 LYS N N 14 119.361 119.361 119.569 -0.208 19413 8738 1 11 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.686 0.076 19413 8739 1 11 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.697 -1.210 19413 8740 1 11 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.119 -0.216 19413 8741 1 11 . 1 1 14 14 LYS H H 14 7.714 7.714 8.081 -0.367 19413 8742 1 11 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.525 0.078 19413 8743 1 11 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.850 -0.589 19413 8744 1 11 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.128 2.569 19413 8745 1 11 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.209 0.153 19413 8746 1 11 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.358 -1.782 19413 8747 1 11 . 1 1 16 16 ILE CB C 16 38.242 38.242 40.858 -2.616 19413 8748 1 11 . 1 1 17 17 ALA N N 17 130.287 130.287 125.710 4.577 19413 8749 1 11 . 1 1 17 17 ALA HA H 17 4.348 4.348 3.921 0.427 19413 8750 1 11 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.094 -0.443 19413 8751 1 11 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.206 1.138 19413 8752 1 11 . 1 1 17 17 ALA H H 17 8.396 8.396 8.692 -0.296 19413 8753 1 11 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.780 0.438 19413 8754 1 11 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.406 -0.005 19413 8755 1 11 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.724 0.668 19413 8756 1 11 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.330 -0.652 19413 8757 1 11 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.441 0.597 19413 8758 1 11 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.423 -1.457 19413 8759 1 11 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.501 -0.388 19413 8760 1 11 . 1 1 24 24 GLU N N 24 127.720 127.720 120.552 7.168 19413 8761 1 11 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.061 0.544 19413 8762 1 11 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.699 -2.261 19413 8763 1 11 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.590 1.114 19413 8764 1 11 . 1 1 24 24 GLU H H 24 8.973 8.973 8.257 0.716 19413 8765 1 11 . 1 1 25 25 PHE N N 25 121.108 121.108 125.199 -4.091 19413 8766 1 11 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.526 0.540 19413 8767 1 11 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.113 -1.168 19413 8768 1 11 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.293 1.713 19413 8769 1 11 . 1 1 25 25 PHE H H 25 9.266 9.266 8.921 0.345 19413 8770 1 11 . 1 1 26 26 PHE N N 26 120.125 120.125 121.415 -1.290 19413 8771 1 11 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.139 -0.358 19413 8772 1 11 . 1 1 26 26 PHE CA C 26 54.838 54.838 55.550 -0.712 19413 8773 1 11 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.520 2.084 19413 8774 1 11 . 1 1 26 26 PHE H H 26 8.957 8.957 8.988 -0.031 19413 8775 1 11 . 1 1 27 27 SER N N 27 109.643 109.643 113.255 -3.612 19413 8776 1 11 . 1 1 27 27 SER HA H 27 3.584 3.584 4.423 -0.839 19413 8777 1 11 . 1 1 27 27 SER CA C 27 54.556 54.556 55.271 -0.715 19413 8778 1 11 . 1 1 27 27 SER CB C 27 64.711 64.711 65.445 -0.734 19413 8779 1 11 . 1 1 27 27 SER H H 27 6.543 6.543 8.224 -1.681 19413 8780 1 11 . 1 1 28 28 PHE N N 28 132.096 132.096 119.497 12.599 19413 8781 1 11 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.077 0.290 19413 8782 1 11 . 1 1 28 28 PHE CA C 28 62.530 62.530 56.709 5.821 19413 8783 1 11 . 1 1 28 28 PHE CB C 28 38.643 38.643 37.960 0.683 19413 8784 1 11 . 1 1 28 28 PHE H H 28 11.199 11.199 8.518 2.681 19413 8785 1 11 . 1 1 29 29 TYR N N 29 115.582 115.582 117.655 -2.073 19413 8786 1 11 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.518 -0.149 19413 8787 1 11 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.608 1.236 19413 8788 1 11 . 1 1 29 29 TYR CB C 29 39.781 39.781 37.888 1.893 19413 8789 1 11 . 1 1 29 29 TYR H H 29 8.619 8.619 7.773 0.846 19413 8790 1 11 . 1 1 30 30 CYS N N 30 121.025 121.025 116.973 4.052 19413 8791 1 11 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.669 0.337 19413 8792 1 11 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.990 -3.531 19413 8793 1 11 . 1 1 30 30 CYS CB C 30 46.378 46.378 26.892 19.486 19413 8794 1 11 . 1 1 30 30 CYS H H 30 7.284 7.284 7.837 -0.553 19413 8795 1 11 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.809 0.268 19413 8796 1 11 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.980 0.993 19413 8797 1 11 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.458 -0.250 19413 8798 1 11 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.437 0.167 19413 8799 1 11 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.289 -0.842 19413 8800 1 11 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.203 1.851 19413 8801 1 11 . 1 1 33 33 CYS N N 33 117.365 117.365 117.574 -0.209 19413 8802 1 11 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.268 0.271 19413 8803 1 11 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.253 0.939 19413 8804 1 11 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.436 8.407 19413 8805 1 11 . 1 1 33 33 CYS H H 33 8.921 8.921 8.736 0.185 19413 8806 1 11 . 1 1 34 34 TYR N N 34 123.491 123.491 120.719 2.772 19413 8807 1 11 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.471 -1.709 19413 8808 1 11 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.552 -2.119 19413 8809 1 11 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.464 -0.979 19413 8810 1 11 . 1 1 34 34 TYR H H 34 7.650 7.650 8.238 -0.588 19413 8811 1 11 . 1 1 35 35 GLN N N 35 118.639 118.639 117.483 1.156 19413 8812 1 11 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.944 -0.232 19413 8813 1 11 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.994 -0.584 19413 8814 1 11 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.271 -0.338 19413 8815 1 11 . 1 1 35 35 GLN H H 35 7.641 7.641 8.111 -0.470 19413 8816 1 11 . 1 1 36 36 PHE N N 36 121.254 121.254 116.579 4.675 19413 8817 1 11 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.223 -0.193 19413 8818 1 11 . 1 1 36 36 PHE CA C 36 60.801 60.801 61.044 -0.243 19413 8819 1 11 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.790 0.129 19413 8820 1 11 . 1 1 36 36 PHE H H 36 8.721 8.721 8.466 0.255 19413 8821 1 11 . 1 1 37 37 GLU N N 37 116.279 116.279 115.236 1.043 19413 8822 1 11 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.404 -0.077 19413 8823 1 11 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.477 2.307 19413 8824 1 11 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.787 0.069 19413 8825 1 11 . 1 1 37 37 GLU H H 37 7.705 7.705 7.768 -0.063 19413 8826 1 11 . 1 1 38 38 GLU N N 38 112.285 112.285 115.901 -3.616 19413 8827 1 11 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.044 -0.038 19413 8828 1 11 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.517 -0.939 19413 8829 1 11 . 1 1 38 38 GLU CB C 38 29.783 29.783 32.126 -2.343 19413 8830 1 11 . 1 1 38 38 GLU H H 38 7.870 7.870 8.072 -0.202 19413 8831 1 11 . 1 1 39 39 VAL N N 39 117.365 117.365 118.672 -1.307 19413 8832 1 11 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.052 -0.044 19413 8833 1 11 . 1 1 39 39 VAL CA C 39 63.965 63.965 62.669 1.296 19413 8834 1 11 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.928 -0.568 19413 8835 1 11 . 1 1 39 39 VAL H H 39 6.850 6.850 7.443 -0.593 19413 8836 1 11 . 1 1 40 40 LEU N N 40 116.098 116.098 117.527 -1.429 19413 8837 1 11 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.035 0.058 19413 8838 1 11 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.985 -0.886 19413 8839 1 11 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.038 1.075 19413 8840 1 11 . 1 1 40 40 LEU H H 40 8.171 8.171 7.979 0.192 19413 8841 1 11 . 1 1 41 41 HIS N N 41 111.930 111.930 114.775 -2.845 19413 8842 1 11 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.295 0.211 19413 8843 1 11 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.045 -1.579 19413 8844 1 11 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.784 -1.181 19413 8845 1 11 . 1 1 41 41 HIS H H 41 6.459 6.459 7.371 -0.912 19413 8846 1 11 . 1 1 42 42 VAL N N 42 120.465 120.465 120.967 -0.502 19413 8847 1 11 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.581 -0.553 19413 8848 1 11 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.138 1.834 19413 8849 1 11 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.425 -0.539 19413 8850 1 11 . 1 1 42 42 VAL H H 42 8.621 8.621 8.476 0.145 19413 8851 1 11 . 1 1 43 43 SER N N 43 113.968 113.968 116.600 -2.632 19413 8852 1 11 . 1 1 43 43 SER HA H 43 4.002 4.002 4.022 -0.020 19413 8853 1 11 . 1 1 43 43 SER CA C 43 61.242 61.242 62.014 -0.772 19413 8854 1 11 . 1 1 43 43 SER CB C 43 62.565 62.565 62.922 -0.357 19413 8855 1 11 . 1 1 43 43 SER H H 43 8.040 8.040 7.864 0.176 19413 8856 1 11 . 1 1 44 44 ASP N N 44 121.731 121.731 120.215 1.516 19413 8857 1 11 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.406 0.008 19413 8858 1 11 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.376 -0.144 19413 8859 1 11 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.685 0.347 19413 8860 1 11 . 1 1 44 44 ASP H H 44 8.215 8.215 8.752 -0.537 19413 8861 1 11 . 1 1 45 45 ASN N N 45 118.906 118.906 117.413 1.493 19413 8862 1 11 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.504 -0.232 19413 8863 1 11 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.066 1.256 19413 8864 1 11 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.862 0.765 19413 8865 1 11 . 1 1 45 45 ASN H H 45 7.860 7.860 7.911 -0.051 19413 8866 1 11 . 1 1 46 46 VAL N N 46 119.934 119.934 119.886 0.048 19413 8867 1 11 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.738 -0.273 19413 8868 1 11 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.677 0.125 19413 8869 1 11 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.971 -0.622 19413 8870 1 11 . 1 1 46 46 VAL H H 46 8.583 8.583 8.184 0.399 19413 8871 1 11 . 1 1 47 47 ARG N N 47 119.655 119.655 118.993 0.662 19413 8872 1 11 . 1 1 47 47 ARG HA H 47 3.821 3.821 4.017 -0.196 19413 8873 1 11 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.174 0.628 19413 8874 1 11 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.219 1.119 19413 8875 1 11 . 1 1 47 47 ARG H H 47 8.522 8.522 8.040 0.482 19413 8876 1 11 . 1 1 48 48 GLN N N 48 115.072 115.072 118.821 -3.749 19413 8877 1 11 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.180 -0.062 19413 8878 1 11 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.935 -0.206 19413 8879 1 11 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.764 0.246 19413 8880 1 11 . 1 1 48 48 GLN H H 48 7.605 7.605 7.689 -0.084 19413 8881 1 11 . 1 1 49 49 LYS N N 49 116.858 116.858 115.780 1.078 19413 8882 1 11 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.551 -0.129 19413 8883 1 11 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.202 -0.397 19413 8884 1 11 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.363 -0.715 19413 8885 1 11 . 1 1 49 49 LYS H H 49 7.460 7.460 7.832 -0.372 19413 8886 1 11 . 1 1 50 50 LEU N N 50 119.786 119.786 123.090 -3.304 19413 8887 1 11 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.329 0.070 19413 8888 1 11 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.591 -0.663 19413 8889 1 11 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.839 -0.885 19413 8890 1 11 . 1 1 50 50 LEU H H 50 7.215 7.215 7.296 -0.081 19413 8891 1 11 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.514 -0.038 19413 8892 1 11 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.140 0.132 19413 8893 1 11 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.460 -1.006 19413 8894 1 11 . 1 1 52 52 GLU N N 52 126.400 126.400 121.821 4.579 19413 8895 1 11 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.075 0.025 19413 8896 1 11 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.120 0.995 19413 8897 1 11 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.473 0.863 19413 8898 1 11 . 1 1 52 52 GLU H H 52 8.935 8.935 8.678 0.257 19413 8899 1 11 . 1 1 53 53 GLY N N 53 113.671 113.671 113.079 0.592 19413 8900 1 11 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.718 -0.872 19413 8901 1 11 . 1 1 53 53 GLY H H 53 8.948 8.948 8.373 0.575 19413 8902 1 11 . 1 1 54 54 THR N N 54 118.129 118.129 120.509 -2.380 19413 8903 1 11 . 1 1 54 54 THR HA H 54 4.161 4.161 4.168 -0.007 19413 8904 1 11 . 1 1 54 54 THR CA C 54 63.707 63.707 63.267 0.440 19413 8905 1 11 . 1 1 54 54 THR CB C 54 68.784 68.784 68.247 0.537 19413 8906 1 11 . 1 1 54 54 THR H H 54 7.696 7.696 7.775 -0.079 19413 8907 1 11 . 1 1 55 55 LYS N N 55 129.892 129.892 127.911 1.981 19413 8908 1 11 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.320 0.055 19413 8909 1 11 . 1 1 55 55 LYS CA C 55 55.835 55.835 55.951 -0.116 19413 8910 1 11 . 1 1 55 55 LYS CB C 55 33.448 33.448 33.360 0.088 19413 8911 1 11 . 1 1 55 55 LYS H H 55 8.757 8.757 7.981 0.776 19413 8912 1 11 . 1 1 56 56 MET N N 56 125.391 125.391 123.924 1.467 19413 8913 1 11 . 1 1 56 56 MET HA H 56 5.258 5.258 4.413 0.845 19413 8914 1 11 . 1 1 56 56 MET CA C 56 54.436 54.436 56.864 -2.428 19413 8915 1 11 . 1 1 56 56 MET CB C 56 34.394 34.394 33.398 0.996 19413 8916 1 11 . 1 1 56 56 MET H H 56 8.512 8.512 8.531 -0.019 19413 8917 1 11 . 1 1 57 57 THR N N 57 124.711 124.711 113.932 10.779 19413 8918 1 11 . 1 1 57 57 THR HA H 57 4.390 4.390 4.560 -0.170 19413 8919 1 11 . 1 1 57 57 THR CA C 57 61.942 61.942 61.063 0.879 19413 8920 1 11 . 1 1 57 57 THR CB C 57 70.952 70.952 70.863 0.089 19413 8921 1 11 . 1 1 57 57 THR H H 57 8.830 8.830 8.389 0.441 19413 8922 1 11 . 1 1 58 58 LYS N N 58 126.113 126.113 122.004 4.109 19413 8923 1 11 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.825 0.457 19413 8924 1 11 . 1 1 58 58 LYS CA C 58 54.501 54.501 57.158 -2.657 19413 8925 1 11 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.312 1.105 19413 8926 1 11 . 1 1 58 58 LYS H H 58 8.739 8.739 8.313 0.426 19413 8927 1 11 . 1 1 59 59 TYR N N 59 127.472 127.472 122.983 4.489 19413 8928 1 11 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.860 0.766 19413 8929 1 11 . 1 1 59 59 TYR CA C 59 51.825 51.825 54.869 -3.044 19413 8930 1 11 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.787 -0.102 19413 8931 1 11 . 1 1 59 59 TYR H H 59 9.524 9.524 9.048 0.476 19413 8932 1 11 . 1 1 60 60 HIS N N 60 123.656 123.656 116.598 7.058 19413 8933 1 11 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.317 -0.933 19413 8934 1 11 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.142 2.325 19413 8935 1 11 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.803 -0.984 19413 8936 1 11 . 1 1 60 60 HIS H H 60 9.284 9.284 7.873 1.411 19413 8937 1 11 . 1 1 61 61 VAL N N 61 112.397 112.397 113.547 -1.150 19413 8938 1 11 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.703 0.034 19413 8939 1 11 . 1 1 61 61 VAL CA C 61 58.079 58.079 60.330 -2.251 19413 8940 1 11 . 1 1 61 61 VAL CB C 61 33.885 33.885 36.248 -2.363 19413 8941 1 11 . 1 1 61 61 VAL H H 61 6.262 6.262 7.912 -1.650 19413 8942 1 11 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.477 -0.436 19413 8943 1 11 . 1 1 62 62 GLU CA C 62 56.328 56.328 55.955 0.373 19413 8944 1 11 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.563 0.189 19413 8945 1 11 . 1 1 63 63 PHE N N 63 111.215 111.215 121.756 -10.541 19413 8946 1 11 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.333 0.238 19413 8947 1 11 . 1 1 63 63 PHE CA C 63 57.709 57.709 59.128 -1.419 19413 8948 1 11 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.938 -2.333 19413 8949 1 11 . 1 1 63 63 PHE H H 63 6.419 6.419 7.777 -1.358 19413 8950 1 11 . 1 1 64 64 LEU N N 64 119.701 119.701 120.292 -0.591 19413 8951 1 11 . 1 1 64 64 LEU HA H 64 4.695 4.695 3.541 1.154 19413 8952 1 11 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.843 -1.031 19413 8953 1 11 . 1 1 64 64 LEU CB C 64 44.338 44.338 41.540 2.798 19413 8954 1 11 . 1 1 64 64 LEU H H 64 6.396 6.396 7.610 -1.214 19413 8955 1 11 . 1 1 65 65 GLY N N 65 108.957 108.957 108.745 0.212 19413 8956 1 11 . 1 1 65 65 GLY CA C 65 43.178 43.178 44.197 -1.019 19413 8957 1 11 . 1 1 65 65 GLY H H 65 8.084 8.084 7.830 0.254 19413 8958 1 11 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.299 0.112 19413 8959 1 11 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.829 0.166 19413 8960 1 11 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.114 -0.323 19413 8961 1 11 . 1 1 67 67 LEU N N 67 114.479 114.479 118.954 -4.475 19413 8962 1 11 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.552 0.915 19413 8963 1 11 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.353 -1.460 19413 8964 1 11 . 1 1 67 67 LEU CB C 67 40.438 40.438 41.290 -0.852 19413 8965 1 11 . 1 1 67 67 LEU H H 67 7.484 7.484 8.215 -0.731 19413 8966 1 11 . 1 1 68 68 GLY N N 68 108.957 108.957 108.793 0.164 19413 8967 1 11 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.062 2.445 19413 8968 1 11 . 1 1 68 68 GLY H H 68 7.659 7.659 7.748 -0.089 19413 8969 1 11 . 1 1 69 69 LYS N N 69 124.459 124.459 118.706 5.753 19413 8970 1 11 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.379 -0.333 19413 8971 1 11 . 1 1 69 69 LYS CA C 69 61.036 61.036 56.474 4.562 19413 8972 1 11 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.026 -0.434 19413 8973 1 11 . 1 1 69 69 LYS H H 69 9.149 9.149 7.820 1.329 19413 8974 1 11 . 1 1 70 70 ASP N N 70 122.631 122.631 121.087 1.544 19413 8975 1 11 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.590 0.125 19413 8976 1 11 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.046 0.849 19413 8977 1 11 . 1 1 70 70 ASP CB C 70 42.157 42.157 41.788 0.369 19413 8978 1 11 . 1 1 70 70 ASP H H 70 8.519 8.519 7.819 0.701 19413 8979 1 11 . 1 1 71 71 LEU N N 71 119.276 119.276 120.145 -0.869 19413 8980 1 11 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.717 0.520 19413 8981 1 11 . 1 1 71 71 LEU CA C 71 57.277 57.277 57.744 -0.467 19413 8982 1 11 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.312 1.765 19413 8983 1 11 . 1 1 71 71 LEU H H 71 9.421 9.421 8.117 1.304 19413 8984 1 11 . 1 1 72 72 THR N N 72 119.204 119.204 113.370 5.834 19413 8985 1 11 . 1 1 72 72 THR HA H 72 4.033 4.033 2.767 1.266 19413 8986 1 11 . 1 1 72 72 THR CA C 72 67.403 67.403 65.947 1.456 19413 8987 1 11 . 1 1 72 72 THR CB C 72 68.170 68.170 67.561 0.608 19413 8988 1 11 . 1 1 72 72 THR H H 72 7.762 7.762 7.412 0.350 19413 8989 1 11 . 1 1 73 73 GLN N N 73 125.845 125.845 121.414 4.431 19413 8990 1 11 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.772 -0.109 19413 8991 1 11 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.530 0.873 19413 8992 1 11 . 1 1 73 73 GLN CB C 73 25.559 25.559 27.993 -2.434 19413 8993 1 11 . 1 1 73 73 GLN H H 73 7.822 7.822 7.553 0.269 19413 8994 1 11 . 1 1 74 74 ALA N N 74 123.013 123.013 121.925 1.088 19413 8995 1 11 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.092 0.041 19413 8996 1 11 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.920 -0.016 19413 8997 1 11 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.431 0.719 19413 8998 1 11 . 1 1 74 74 ALA H H 74 8.966 8.966 8.010 0.956 19413 8999 1 11 . 1 1 75 75 TRP N N 75 120.717 120.717 120.144 0.573 19413 9000 1 11 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.323 0.576 19413 9001 1 11 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.240 -1.168 19413 9002 1 11 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.928 -0.337 19413 9003 1 11 . 1 1 75 75 TRP H H 75 8.932 8.932 8.745 0.187 19413 9004 1 11 . 1 1 76 76 ALA N N 76 119.394 119.394 121.915 -2.521 19413 9005 1 11 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.955 0.020 19413 9006 1 11 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.251 -0.373 19413 9007 1 11 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.184 1.981 19413 9008 1 11 . 1 1 76 76 ALA H H 76 7.650 7.650 7.825 -0.175 19413 9009 1 11 . 1 1 77 77 VAL N N 77 119.658 119.658 118.919 0.739 19413 9010 1 11 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.533 -0.309 19413 9011 1 11 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.535 0.373 19413 9012 1 11 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.402 -1.285 19413 9013 1 11 . 1 1 77 77 VAL H H 77 8.074 8.074 7.477 0.597 19413 9014 1 11 . 1 1 78 78 ALA N N 78 121.951 121.951 122.518 -0.567 19413 9015 1 11 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.017 0.007 19413 9016 1 11 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.223 -0.382 19413 9017 1 11 . 1 1 78 78 ALA CB C 78 17.499 17.499 17.961 -0.462 19413 9018 1 11 . 1 1 78 78 ALA H H 78 8.421 8.421 7.662 0.759 19413 9019 1 11 . 1 1 79 79 ILE N N 79 118.384 118.384 118.724 -0.340 19413 9020 1 11 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.449 0.168 19413 9021 1 11 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.772 -0.787 19413 9022 1 11 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.710 0.486 19413 9023 1 11 . 1 1 79 79 ILE H H 79 8.122 8.122 8.143 -0.021 19413 9024 1 11 . 1 1 80 80 ALA N N 80 124.708 124.708 121.165 3.543 19413 9025 1 11 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.127 -0.149 19413 9026 1 11 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.683 0.232 19413 9027 1 11 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.926 -0.821 19413 9028 1 11 . 1 1 80 80 ALA H H 80 8.694 8.694 7.875 0.819 19413 9029 1 11 . 1 1 81 81 LEU N N 81 114.303 114.303 116.608 -2.305 19413 9030 1 11 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.432 -0.052 19413 9031 1 11 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.571 0.011 19413 9032 1 11 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.425 0.787 19413 9033 1 11 . 1 1 81 81 LEU H H 81 8.469 8.469 7.956 0.513 19413 9034 1 11 . 1 1 82 82 GLY N N 82 112.196 112.196 109.302 2.894 19413 9035 1 11 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.825 1.133 19413 9036 1 11 . 1 1 82 82 GLY H H 82 7.955 7.955 7.533 0.422 19413 9037 1 11 . 1 1 83 83 VAL N N 83 109.426 109.426 113.125 -3.699 19413 9038 1 11 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.407 0.514 19413 9039 1 11 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.918 -1.736 19413 9040 1 11 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.638 -1.197 19413 9041 1 11 . 1 1 83 83 VAL H H 83 8.267 8.267 7.877 0.390 19413 9042 1 11 . 1 1 84 84 GLU N N 84 127.081 127.081 123.023 4.058 19413 9043 1 11 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.782 -0.198 19413 9044 1 11 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.425 0.931 19413 9045 1 11 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.433 0.537 19413 9046 1 11 . 1 1 84 84 GLU H H 84 10.566 10.566 8.499 2.067 19413 9047 1 11 . 1 1 85 85 ASP N N 85 117.467 117.467 116.564 0.903 19413 9048 1 11 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.535 0.052 19413 9049 1 11 . 1 1 85 85 ASP CA C 85 56.279 56.279 55.980 0.298 19413 9050 1 11 . 1 1 85 85 ASP CB C 85 39.732 39.732 39.980 -0.248 19413 9051 1 11 . 1 1 85 85 ASP H H 85 8.946 8.946 8.810 0.136 19413 9052 1 11 . 1 1 86 86 LYS N N 86 119.121 119.121 116.918 2.203 19413 9053 1 11 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.324 0.095 19413 9054 1 11 . 1 1 86 86 LYS CA C 86 57.179 57.179 56.910 0.269 19413 9055 1 11 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.760 -0.334 19413 9056 1 11 . 1 1 86 86 LYS H H 86 7.745 7.745 7.813 -0.068 19413 9057 1 11 . 1 1 87 87 ILE N N 87 108.193 108.193 114.587 -6.394 19413 9058 1 11 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.457 -0.219 19413 9059 1 11 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.693 -1.373 19413 9060 1 11 . 1 1 87 87 ILE CB C 87 40.000 40.000 37.998 2.002 19413 9061 1 11 . 1 1 87 87 ILE H H 87 7.343 7.343 7.625 -0.282 19413 9062 1 11 . 1 1 88 88 THR N N 88 119.455 119.455 116.485 2.970 19413 9063 1 11 . 1 1 88 88 THR HA H 88 4.053 4.053 4.536 -0.483 19413 9064 1 11 . 1 1 88 88 THR CA C 88 69.780 69.780 64.436 5.344 19413 9065 1 11 . 1 1 88 88 THR CB C 88 68.491 68.491 69.341 -0.850 19413 9066 1 11 . 1 1 88 88 THR H H 88 7.746 7.746 7.746 -0.000 19413 9067 1 11 . 1 1 89 89 ALA N N 89 123.122 123.122 124.819 -1.697 19413 9068 1 11 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.437 0.163 19413 9069 1 11 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.099 1.192 19413 9070 1 11 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.656 -1.459 19413 9071 1 11 . 1 1 89 89 ALA H H 89 9.125 9.125 8.650 0.475 19413 9072 1 11 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.281 0.135 19413 9073 1 11 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.741 -0.520 19413 9074 1 11 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.251 0.160 19413 9075 1 11 . 1 1 91 91 MET N N 91 119.468 119.468 118.499 0.969 19413 9076 1 11 . 1 1 91 91 MET HA H 91 4.370 4.370 4.331 0.039 19413 9077 1 11 . 1 1 91 91 MET CA C 91 56.901 56.901 58.528 -1.627 19413 9078 1 11 . 1 1 91 91 MET CB C 91 30.059 30.059 32.371 -2.312 19413 9079 1 11 . 1 1 91 91 MET H H 91 8.176 8.176 7.825 0.351 19413 9080 1 11 . 1 1 92 92 PHE N N 92 120.720 120.720 118.405 2.315 19413 9081 1 11 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.295 0.223 19413 9082 1 11 . 1 1 92 92 PHE CA C 92 63.883 63.883 59.801 4.082 19413 9083 1 11 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.129 1.195 19413 9084 1 11 . 1 1 92 92 PHE H H 92 8.650 8.650 8.786 -0.136 19413 9085 1 11 . 1 1 93 93 GLU N N 93 117.705 117.705 120.748 -3.043 19413 9086 1 11 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.076 -0.010 19413 9087 1 11 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.973 -0.570 19413 9088 1 11 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.828 -0.186 19413 9089 1 11 . 1 1 93 93 GLU H H 93 8.240 8.240 8.574 -0.334 19413 9090 1 11 . 1 1 94 94 ALA N N 94 123.067 123.067 120.112 2.955 19413 9091 1 11 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.639 -0.188 19413 9092 1 11 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.800 0.195 19413 9093 1 11 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.239 -0.236 19413 9094 1 11 . 1 1 94 94 ALA H H 94 8.431 8.431 7.958 0.473 19413 9095 1 11 . 1 1 95 95 VAL N N 95 115.582 115.582 117.044 -1.462 19413 9096 1 11 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.781 -0.059 19413 9097 1 11 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.583 1.221 19413 9098 1 11 . 1 1 95 95 VAL CB C 95 31.739 31.739 31.930 -0.191 19413 9099 1 11 . 1 1 95 95 VAL H H 95 8.467 8.467 7.670 0.797 19413 9100 1 11 . 1 1 96 96 GLN N N 96 113.295 113.295 118.614 -5.319 19413 9101 1 11 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.224 0.327 19413 9102 1 11 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.629 0.597 19413 9103 1 11 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.029 0.650 19413 9104 1 11 . 1 1 96 96 GLN H H 96 8.184 8.184 8.140 0.044 19413 9105 1 11 . 1 1 97 97 LYS N N 97 118.621 118.621 119.918 -1.297 19413 9106 1 11 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.071 0.616 19413 9107 1 11 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.565 -1.406 19413 9108 1 11 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.984 -0.442 19413 9109 1 11 . 1 1 97 97 LYS H H 97 8.231 8.231 7.718 0.513 19413 9110 1 11 . 1 1 98 98 THR N N 98 110.486 110.486 107.993 2.493 19413 9111 1 11 . 1 1 98 98 THR HA H 98 4.285 4.285 4.325 -0.040 19413 9112 1 11 . 1 1 98 98 THR CA C 98 62.420 62.420 61.977 0.443 19413 9113 1 11 . 1 1 98 98 THR CB C 98 68.343 68.343 70.089 -1.746 19413 9114 1 11 . 1 1 98 98 THR H H 98 8.612 8.612 8.103 0.509 19413 9115 1 11 . 1 1 99 99 GLN N N 99 115.751 115.751 117.985 -2.234 19413 9116 1 11 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.066 0.119 19413 9117 1 11 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.130 -0.144 19413 9118 1 11 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.519 -0.896 19413 9119 1 11 . 1 1 99 99 GLN H H 99 6.979 6.979 8.262 -1.283 19413 9120 1 11 . 1 1 100 100 THR N N 100 108.660 108.660 113.309 -4.649 19413 9121 1 11 . 1 1 100 100 THR HA H 100 4.350 4.350 4.202 0.148 19413 9122 1 11 . 1 1 100 100 THR CA C 100 61.035 61.035 63.434 -2.399 19413 9123 1 11 . 1 1 100 100 THR CB C 100 68.306 68.306 69.312 -1.006 19413 9124 1 11 . 1 1 100 100 THR H H 100 8.362 8.362 7.992 0.370 19413 9125 1 11 . 1 1 101 101 VAL N N 101 121.417 121.417 123.013 -1.596 19413 9126 1 11 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.841 0.352 19413 9127 1 11 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.038 -2.071 19413 9128 1 11 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.857 0.492 19413 9129 1 11 . 1 1 101 101 VAL H H 101 7.376 7.376 7.782 -0.406 19413 9130 1 11 . 1 1 102 102 GLN N N 102 127.472 127.472 124.971 2.501 19413 9131 1 11 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.694 -0.130 19413 9132 1 11 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.750 -0.634 19413 9133 1 11 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.081 -1.313 19413 9134 1 11 . 1 1 102 102 GLN H H 102 9.583 9.583 8.552 1.031 19413 9135 1 11 . 1 1 103 103 SER N N 103 116.698 116.698 114.343 2.355 19413 9136 1 11 . 1 1 103 103 SER HA H 103 4.883 4.883 4.801 0.082 19413 9137 1 11 . 1 1 103 103 SER CA C 103 56.423 56.423 56.429 -0.006 19413 9138 1 11 . 1 1 103 103 SER CB C 103 66.834 66.834 65.176 1.658 19413 9139 1 11 . 1 1 103 103 SER H H 103 8.539 8.539 8.326 0.213 19413 9140 1 11 . 1 1 104 104 VAL N N 104 120.375 120.375 123.568 -3.193 19413 9141 1 11 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.972 -0.232 19413 9142 1 11 . 1 1 104 104 VAL CA C 104 65.756 65.756 65.895 -0.139 19413 9143 1 11 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.116 -0.187 19413 9144 1 11 . 1 1 104 104 VAL H H 104 8.929 8.929 8.780 0.149 19413 9145 1 11 . 1 1 105 105 ALA N N 105 125.255 125.255 119.739 5.516 19413 9146 1 11 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.044 -0.044 19413 9147 1 11 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.455 0.451 19413 9148 1 11 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.952 0.101 19413 9149 1 11 . 1 1 105 105 ALA H H 105 8.099 8.099 8.360 -0.261 19413 9150 1 11 . 1 1 106 106 ASP N N 106 118.317 118.317 117.242 1.075 19413 9151 1 11 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.737 -0.362 19413 9152 1 11 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.027 0.637 19413 9153 1 11 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.675 1.092 19413 9154 1 11 . 1 1 106 106 ASP H H 106 7.603 7.603 8.171 -0.568 19413 9155 1 11 . 1 1 107 107 ILE N N 107 120.210 120.210 120.088 0.122 19413 9156 1 11 . 1 1 107 107 ILE HA H 107 3.331 3.331 4.106 -0.775 19413 9157 1 11 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.219 1.390 19413 9158 1 11 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.277 -0.387 19413 9159 1 11 . 1 1 107 107 ILE H H 107 7.342 7.342 7.432 -0.090 19413 9160 1 11 . 1 1 108 108 ARG N N 108 119.234 119.234 119.402 -0.168 19413 9161 1 11 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.399 -0.602 19413 9162 1 11 . 1 1 108 108 ARG CA C 108 58.656 58.656 59.120 -0.464 19413 9163 1 11 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.815 1.027 19413 9164 1 11 . 1 1 108 108 ARG H H 108 6.677 6.677 8.136 -1.459 19413 9165 1 11 . 1 1 109 109 LYS N N 109 117.662 117.662 119.871 -2.209 19413 9166 1 11 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.024 -0.178 19413 9167 1 11 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.801 -0.582 19413 9168 1 11 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.000 -0.026 19413 9169 1 11 . 1 1 109 109 LYS H H 109 7.164 7.164 7.943 -0.779 19413 9170 1 11 . 1 1 110 110 VAL N N 110 118.257 118.257 119.432 -1.175 19413 9171 1 11 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.727 -0.086 19413 9172 1 11 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.094 -0.032 19413 9173 1 11 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.588 -0.364 19413 9174 1 11 . 1 1 110 110 VAL H H 110 7.269 7.269 7.684 -0.415 19413 9175 1 11 . 1 1 111 111 PHE N N 111 118.699 118.699 118.903 -0.204 19413 9176 1 11 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.114 -0.204 19413 9177 1 11 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.430 -0.950 19413 9178 1 11 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.261 0.162 19413 9179 1 11 . 1 1 111 111 PHE H H 111 7.411 7.411 7.735 -0.324 19413 9180 1 11 . 1 1 112 112 VAL N N 112 121.527 121.527 119.209 2.318 19413 9181 1 11 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.996 0.615 19413 9182 1 11 . 1 1 112 112 VAL CA C 112 64.719 64.719 66.046 -1.327 19413 9183 1 11 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.526 -0.155 19413 9184 1 11 . 1 1 112 112 VAL H H 112 8.424 8.424 7.811 0.613 19413 9185 1 11 . 1 1 113 113 ASP N N 113 124.032 124.032 121.097 2.935 19413 9186 1 11 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.415 0.032 19413 9187 1 11 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.024 -0.346 19413 9188 1 11 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.620 -1.339 19413 9189 1 11 . 1 1 113 113 ASP H H 113 9.048 9.048 8.424 0.624 19413 9190 1 11 . 1 1 114 114 ALA N N 114 121.399 121.399 118.198 3.201 19413 9191 1 11 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.299 0.168 19413 9192 1 11 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.688 -0.810 19413 9193 1 11 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.791 -1.178 19413 9194 1 11 . 1 1 114 114 ALA H H 114 7.505 7.505 8.004 -0.499 19413 9195 1 11 . 1 1 115 115 GLY N N 115 105.755 105.755 105.185 0.570 19413 9196 1 11 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.442 0.661 19413 9197 1 11 . 1 1 115 115 GLY H H 115 7.895 7.895 7.535 0.360 19413 9198 1 11 . 1 1 116 116 VAL N N 116 124.542 124.542 119.362 5.180 19413 9199 1 11 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.455 -0.435 19413 9200 1 11 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.186 1.415 19413 9201 1 11 . 1 1 116 116 VAL CB C 116 31.739 31.739 35.235 -3.496 19413 9202 1 11 . 1 1 116 116 VAL H H 116 8.095 8.095 7.420 0.675 19413 9203 1 11 . 1 1 117 117 LYS N N 117 128.363 128.363 126.457 1.906 19413 9204 1 11 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.288 -0.105 19413 9205 1 11 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.168 -0.083 19413 9206 1 11 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.056 -1.244 19413 9207 1 11 . 1 1 117 117 LYS H H 117 9.102 9.102 8.966 0.136 19413 9208 1 11 . 1 1 118 118 GLY N N 118 116.049 116.049 109.848 6.201 19413 9209 1 11 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.417 1.251 19413 9210 1 11 . 1 1 118 118 GLY H H 118 9.300 9.300 8.958 0.342 19413 9211 1 11 . 1 1 119 119 GLU N N 119 118.512 118.512 118.196 0.316 19413 9212 1 11 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.416 -0.190 19413 9213 1 11 . 1 1 119 119 GLU CA C 119 59.523 59.523 57.680 1.843 19413 9214 1 11 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.965 -1.152 19413 9215 1 11 . 1 1 119 119 GLU H H 119 9.501 9.501 8.210 1.291 19413 9216 1 11 . 1 1 120 120 ASP N N 120 121.262 121.262 120.855 0.407 19413 9217 1 11 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.504 0.075 19413 9218 1 11 . 1 1 120 120 ASP CA C 120 56.559 56.559 57.169 -0.610 19413 9219 1 11 . 1 1 120 120 ASP CB C 120 39.632 39.632 40.928 -1.296 19413 9220 1 11 . 1 1 120 120 ASP H H 120 7.088 7.088 7.920 -0.832 19413 9221 1 11 . 1 1 121 121 TYR N N 121 123.619 123.619 120.845 2.774 19413 9222 1 11 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.056 -0.334 19413 9223 1 11 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.645 -0.494 19413 9224 1 11 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.436 -0.434 19413 9225 1 11 . 1 1 121 121 TYR H H 121 7.986 7.986 7.682 0.304 19413 9226 1 11 . 1 1 122 122 ASP N N 122 119.702 119.702 118.341 1.361 19413 9227 1 11 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.295 -0.041 19413 9228 1 11 . 1 1 122 122 ASP CA C 122 57.122 57.122 57.581 -0.459 19413 9229 1 11 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.720 -1.109 19413 9230 1 11 . 1 1 122 122 ASP H H 122 8.812 8.812 8.504 0.308 19413 9231 1 11 . 1 1 123 123 ALA N N 123 121.138 121.138 121.795 -0.657 19413 9232 1 11 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.089 0.137 19413 9233 1 11 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.934 -0.704 19413 9234 1 11 . 1 1 123 123 ALA CB C 123 18.126 18.126 18.541 -0.416 19413 9235 1 11 . 1 1 123 123 ALA H H 123 7.696 7.696 8.003 -0.307 19413 9236 1 11 . 1 1 124 124 ALA N N 124 120.299 120.299 122.103 -1.804 19413 9237 1 11 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.034 0.072 19413 9238 1 11 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.754 -0.428 19413 9239 1 11 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.089 0.476 19413 9240 1 11 . 1 1 124 124 ALA H H 124 7.935 7.935 8.021 -0.086 19413 9241 1 11 . 1 1 125 125 TRP N N 125 121.357 121.357 119.889 1.468 19413 9242 1 11 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.177 -0.701 19413 9243 1 11 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.644 0.819 19413 9244 1 11 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.320 -0.943 19413 9245 1 11 . 1 1 125 125 TRP H H 125 8.948 8.948 8.217 0.731 19413 9246 1 11 . 1 1 126 126 ASN N N 126 110.817 110.817 114.013 -3.196 19413 9247 1 11 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.648 0.195 19413 9248 1 11 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.610 -0.088 19413 9249 1 11 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.405 0.665 19413 9250 1 11 . 1 1 126 126 ASN H H 126 7.024 7.024 7.788 -0.764 19413 9251 1 11 . 1 1 127 127 SER N N 127 116.650 116.650 115.477 1.173 19413 9252 1 11 . 1 1 127 127 SER HA H 127 4.472 4.472 4.262 0.210 19413 9253 1 11 . 1 1 127 127 SER CA C 127 58.535 58.535 55.652 2.883 19413 9254 1 11 . 1 1 127 127 SER CB C 127 65.513 65.513 65.006 0.507 19413 9255 1 11 . 1 1 127 127 SER H H 127 7.831 7.831 7.762 0.069 19413 9256 1 11 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.294 -0.016 19413 9257 1 11 . 1 1 128 128 PHE CA C 128 61.055 61.055 59.273 1.782 19413 9258 1 11 . 1 1 128 128 PHE CB C 128 38.368 38.368 37.499 0.869 19413 9259 1 11 . 1 1 129 129 VAL N N 129 120.058 120.058 120.880 -0.822 19413 9260 1 11 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.648 0.066 19413 9261 1 11 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.778 -1.106 19413 9262 1 11 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.210 0.568 19413 9263 1 11 . 1 1 129 129 VAL H H 129 8.340 8.340 7.995 0.345 19413 9264 1 11 . 1 1 130 130 VAL N N 130 122.552 122.552 118.571 3.981 19413 9265 1 11 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.585 -0.074 19413 9266 1 11 . 1 1 130 130 VAL CA C 130 66.834 66.834 67.145 -0.311 19413 9267 1 11 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.272 -0.048 19413 9268 1 11 . 1 1 130 130 VAL H H 130 7.163 7.163 7.874 -0.711 19413 9269 1 11 . 1 1 131 131 LYS N N 131 122.079 122.079 119.603 2.476 19413 9270 1 11 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.846 -0.090 19413 9271 1 11 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.193 0.541 19413 9272 1 11 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.572 -0.054 19413 9273 1 11 . 1 1 131 131 LYS H H 131 7.852 7.852 7.545 0.307 19413 9274 1 11 . 1 1 132 132 SER N N 132 115.836 115.836 115.652 0.184 19413 9275 1 11 . 1 1 132 132 SER HA H 132 4.155 4.155 4.238 -0.083 19413 9276 1 11 . 1 1 132 132 SER CA C 132 61.022 61.022 61.722 -0.700 19413 9277 1 11 . 1 1 132 132 SER CB C 132 62.309 62.309 63.071 -0.762 19413 9278 1 11 . 1 1 132 132 SER H H 132 8.258 8.258 8.222 0.036 19413 9279 1 11 . 1 1 133 133 LEU N N 133 124.754 124.754 122.705 2.049 19413 9280 1 11 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.949 0.248 19413 9281 1 11 . 1 1 133 133 LEU CA C 133 57.564 57.564 58.074 -0.510 19413 9282 1 11 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.014 2.147 19413 9283 1 11 . 1 1 133 133 LEU H H 133 8.140 8.140 7.749 0.391 19413 9284 1 11 . 1 1 134 134 VAL N N 134 123.461 123.461 118.897 4.564 19413 9285 1 11 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.681 -0.400 19413 9286 1 11 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.709 2.148 19413 9287 1 11 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.550 -0.694 19413 9288 1 11 . 1 1 134 134 VAL H H 134 8.718 8.718 8.488 0.230 19413 9289 1 11 . 1 1 135 135 ALA N N 135 121.739 121.739 121.248 0.491 19413 9290 1 11 . 1 1 135 135 ALA HA H 135 4.164 4.164 4.006 0.158 19413 9291 1 11 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.027 -0.098 19413 9292 1 11 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.386 -0.960 19413 9293 1 11 . 1 1 135 135 ALA H H 135 7.513 7.513 7.656 -0.143 19413 9294 1 11 . 1 1 136 136 GLN N N 136 119.033 119.033 118.410 0.623 19413 9295 1 11 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.972 0.104 19413 9296 1 11 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.319 0.790 19413 9297 1 11 . 1 1 136 136 GLN CB C 136 29.085 29.085 27.889 1.196 19413 9298 1 11 . 1 1 136 136 GLN H H 136 8.473 8.473 8.116 0.357 19413 9299 1 11 . 1 1 137 137 GLN N N 137 119.734 119.734 118.834 0.900 19413 9300 1 11 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.134 -0.622 19413 9301 1 11 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.671 1.211 19413 9302 1 11 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.286 2.557 19413 9303 1 11 . 1 1 137 137 GLN H H 137 7.995 7.995 7.753 0.242 19413 9304 1 11 . 1 1 138 138 GLU N N 138 121.309 121.309 120.758 0.551 19413 9305 1 11 . 1 1 138 138 GLU HA H 138 3.935 3.935 3.990 -0.055 19413 9306 1 11 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.418 -0.441 19413 9307 1 11 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.422 -0.457 19413 9308 1 11 . 1 1 138 138 GLU H H 138 8.291 8.291 8.402 -0.111 19413 9309 1 11 . 1 1 139 139 LYS N N 139 122.121 122.121 118.032 4.089 19413 9310 1 11 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.138 -0.021 19413 9311 1 11 . 1 1 139 139 LYS CA C 139 58.924 58.924 57.999 0.925 19413 9312 1 11 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.574 0.018 19413 9313 1 11 . 1 1 139 139 LYS H H 139 8.603 8.603 8.091 0.512 19413 9314 1 11 . 1 1 140 140 ALA N N 140 120.286 120.286 117.420 2.866 19413 9315 1 11 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.652 -0.242 19413 9316 1 11 . 1 1 140 140 ALA CA C 140 55.063 55.063 52.489 2.574 19413 9317 1 11 . 1 1 140 140 ALA CB C 140 18.446 18.446 20.420 -1.974 19413 9318 1 11 . 1 1 140 140 ALA H H 140 8.140 8.140 7.357 0.783 19413 9319 1 11 . 1 1 141 141 ALA N N 141 116.994 116.994 118.985 -1.991 19413 9320 1 11 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.543 -0.895 19413 9321 1 11 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.253 2.262 19413 9322 1 11 . 1 1 141 141 ALA CB C 141 18.001 18.001 21.116 -3.115 19413 9323 1 11 . 1 1 141 141 ALA H H 141 7.251 7.251 8.036 -0.785 19413 9324 1 11 . 1 1 142 142 ALA N N 142 121.272 121.272 119.644 1.628 19413 9325 1 11 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.513 -0.329 19413 9326 1 11 . 1 1 142 142 ALA CA C 142 54.657 54.657 51.829 2.828 19413 9327 1 11 . 1 1 142 142 ALA CB C 142 18.217 18.217 19.339 -1.122 19413 9328 1 11 . 1 1 142 142 ALA H H 142 7.940 7.940 7.972 -0.032 19413 9329 1 11 . 1 1 143 143 ASP N N 143 121.599 121.599 119.951 1.648 19413 9330 1 11 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.466 -0.130 19413 9331 1 11 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.577 0.398 19413 9332 1 11 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.545 -1.510 19413 9333 1 11 . 1 1 143 143 ASP H H 143 9.272 9.272 8.456 0.816 19413 9334 1 11 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.641 -0.530 19413 9335 1 11 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.439 -0.892 19413 9336 1 11 . 1 1 144 144 LEU CB C 144 41.055 41.055 41.458 -0.403 19413 9337 1 11 . 1 1 145 145 GLN N N 145 116.940 116.940 119.058 -2.118 19413 9338 1 11 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.503 -0.751 19413 9339 1 11 . 1 1 145 145 GLN CA C 145 55.823 55.823 55.807 0.016 19413 9340 1 11 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.098 -2.966 19413 9341 1 11 . 1 1 145 145 GLN H H 145 7.750 7.750 8.447 -0.697 19413 9342 1 11 . 1 1 146 146 LEU N N 146 119.399 119.399 120.585 -1.186 19413 9343 1 11 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.723 -0.837 19413 9344 1 11 . 1 1 146 146 LEU CA C 146 56.313 56.313 54.355 1.958 19413 9345 1 11 . 1 1 146 146 LEU CB C 146 43.142 43.142 44.469 -1.327 19413 9346 1 11 . 1 1 146 146 LEU H H 146 7.516 7.516 7.598 -0.082 19413 9347 1 11 . 1 1 147 147 GLN N N 147 123.118 123.118 121.418 1.700 19413 9348 1 11 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.499 -0.352 19413 9349 1 11 . 1 1 147 147 GLN CA C 147 54.867 54.867 54.941 -0.074 19413 9350 1 11 . 1 1 147 147 GLN CB C 147 30.525 30.525 30.356 0.169 19413 9351 1 11 . 1 1 147 147 GLN H H 147 8.895 8.895 8.449 0.446 19413 9352 1 11 . 1 1 148 148 GLY N N 148 106.555 106.555 108.421 -1.866 19413 9353 1 11 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.268 0.836 19413 9354 1 11 . 1 1 148 148 GLY H H 148 7.275 7.275 7.932 -0.657 19413 9355 1 11 . 1 1 149 149 VAL N N 149 110.030 110.030 114.965 -4.935 19413 9356 1 11 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.529 -0.058 19413 9357 1 11 . 1 1 149 149 VAL CA C 149 57.637 57.637 59.080 -1.442 19413 9358 1 11 . 1 1 149 149 VAL CB C 149 34.682 34.682 31.590 3.092 19413 9359 1 11 . 1 1 149 149 VAL H H 149 8.267 8.267 8.237 0.030 19413 9360 1 11 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.845 -0.035 19413 9361 1 11 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.772 -0.628 19413 9362 1 11 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.618 2.308 19413 9363 1 11 . 1 1 151 151 ALA N N 151 123.567 123.567 121.566 2.001 19413 9364 1 11 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.729 0.156 19413 9365 1 11 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.580 0.045 19413 9366 1 11 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.635 2.212 19413 9367 1 11 . 1 1 151 151 ALA H H 151 8.249 8.249 8.941 -0.692 19413 9368 1 11 . 1 1 152 152 MET N N 152 121.866 121.866 122.761 -0.895 19413 9369 1 11 . 1 1 152 152 MET HA H 152 5.724 5.724 5.139 0.585 19413 9370 1 11 . 1 1 152 152 MET CA C 152 55.487 55.487 54.894 0.593 19413 9371 1 11 . 1 1 152 152 MET CB C 152 36.830 36.830 35.482 1.348 19413 9372 1 11 . 1 1 152 152 MET H H 152 8.610 8.610 8.577 0.033 19413 9373 1 11 . 1 1 153 153 TYR N N 153 124.782 124.782 124.350 0.432 19413 9374 1 11 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.460 0.294 19413 9375 1 11 . 1 1 153 153 TYR CA C 153 56.208 56.208 56.814 -0.606 19413 9376 1 11 . 1 1 153 153 TYR CB C 153 42.990 42.990 41.660 1.330 19413 9377 1 11 . 1 1 153 153 TYR H H 153 9.685 9.685 8.397 1.288 19413 9378 1 11 . 1 1 154 154 VAL N N 154 121.914 121.914 118.673 3.241 19413 9379 1 11 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.357 -0.697 19413 9380 1 11 . 1 1 154 154 VAL H H 154 9.441 9.441 8.919 0.522 19413 9381 1 11 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.343 0.396 19413 9382 1 11 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.456 0.017 19413 9383 1 11 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.597 -1.443 19413 9384 1 11 . 1 1 156 156 GLY N N 156 106.059 106.059 103.489 2.570 19413 9385 1 11 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.972 0.214 19413 9386 1 11 . 1 1 156 156 GLY H H 156 9.354 9.354 8.732 0.622 19413 9387 1 11 . 1 1 157 157 LYS N N 157 114.357 114.357 112.583 1.774 19413 9388 1 11 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.419 0.133 19413 9389 1 11 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.226 0.529 19413 9390 1 11 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.585 2.203 19413 9391 1 11 . 1 1 157 157 LYS H H 157 7.877 7.877 8.119 -0.242 19413 9392 1 11 . 1 1 158 158 TYR N N 158 117.900 117.900 119.886 -1.986 19413 9393 1 11 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.224 0.640 19413 9394 1 11 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.624 -1.768 19413 9395 1 11 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.552 0.327 19413 9396 1 11 . 1 1 158 158 TYR H H 158 7.876 7.876 8.334 -0.458 19413 9397 1 11 . 1 1 159 159 GLN N N 159 125.094 125.094 118.867 6.227 19413 9398 1 11 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.964 -0.211 19413 9399 1 11 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.117 -0.711 19413 9400 1 11 . 1 1 159 159 GLN CB C 159 31.849 31.849 31.162 0.687 19413 9401 1 11 . 1 1 159 159 GLN H H 159 9.701 9.701 9.251 0.450 19413 9402 1 11 . 1 1 160 160 LEU N N 160 131.941 131.941 124.453 7.488 19413 9403 1 11 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.160 -0.149 19413 9404 1 11 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.570 -1.575 19413 9405 1 11 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.880 -1.805 19413 9406 1 11 . 1 1 160 160 LEU H H 160 8.551 8.551 8.444 0.107 19413 9407 1 11 . 1 1 161 161 ASN N N 161 118.639 118.639 121.428 -2.789 19413 9408 1 11 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.253 0.243 19413 9409 1 11 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.411 -0.642 19413 9410 1 11 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.776 -0.865 19413 9411 1 11 . 1 1 161 161 ASN H H 161 8.285 8.285 8.503 -0.218 19413 9412 1 11 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.863 -0.074 19413 9413 1 11 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.923 -0.149 19413 9414 1 11 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.561 -0.383 19413 9415 1 11 . 1 1 163 163 GLN N N 163 116.006 116.006 117.184 -1.178 19413 9416 1 11 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.325 -0.099 19413 9417 1 11 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.191 0.775 19413 9418 1 11 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.354 -0.378 19413 9419 1 11 . 1 1 163 163 GLN H H 163 8.086 8.086 8.550 -0.464 19413 9420 1 11 . 1 1 164 164 GLY N N 164 107.393 107.393 107.794 -0.401 19413 9421 1 11 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.863 -0.260 19413 9422 1 11 . 1 1 164 164 GLY H H 164 8.030 8.030 7.818 0.212 19413 9423 1 11 . 1 1 165 165 MET N N 165 119.802 119.802 118.246 1.556 19413 9424 1 11 . 1 1 165 165 MET HA H 165 4.636 4.636 4.822 -0.186 19413 9425 1 11 . 1 1 165 165 MET CA C 165 54.567 54.567 54.409 0.158 19413 9426 1 11 . 1 1 165 165 MET CB C 165 34.464 34.464 36.773 -2.309 19413 9427 1 11 . 1 1 165 165 MET H H 165 7.451 7.451 7.540 -0.089 19413 9428 1 11 . 1 1 166 166 ASP N N 166 121.681 121.681 121.893 -0.212 19413 9429 1 11 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.785 -0.152 19413 9430 1 11 . 1 1 166 166 ASP CA C 166 54.181 54.181 53.944 0.237 19413 9431 1 11 . 1 1 166 166 ASP CB C 166 40.653 40.653 39.937 0.716 19413 9432 1 11 . 1 1 166 166 ASP H H 166 8.694 8.694 8.971 -0.277 19413 9433 1 11 . 1 1 167 167 THR N N 167 112.609 112.609 114.622 -2.013 19413 9434 1 11 . 1 1 167 167 THR HA H 167 4.224 4.224 4.256 -0.032 19413 9435 1 11 . 1 1 167 167 THR CA C 167 60.340 60.340 63.340 -3.000 19413 9436 1 11 . 1 1 167 167 THR CB C 167 68.416 68.416 68.441 -0.025 19413 9437 1 11 . 1 1 167 167 THR H H 167 7.860 7.860 8.202 -0.342 19413 9438 1 11 . 1 1 168 168 SER N N 168 118.936 118.936 116.432 2.504 19413 9439 1 11 . 1 1 168 168 SER HA H 168 4.158 4.158 4.392 -0.234 19413 9440 1 11 . 1 1 168 168 SER CA C 168 60.874 60.874 60.265 0.609 19413 9441 1 11 . 1 1 168 168 SER CB C 168 63.123 63.123 63.379 -0.256 19413 9442 1 11 . 1 1 168 168 SER H H 168 8.739 8.739 8.071 0.668 19413 9443 1 11 . 1 1 169 169 ASN N N 169 117.875 117.875 117.187 0.688 19413 9444 1 11 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.948 -0.175 19413 9445 1 11 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.146 -0.798 19413 9446 1 11 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.933 0.759 19413 9447 1 11 . 1 1 169 169 ASN H H 169 7.341 7.341 7.686 -0.345 19413 9448 1 11 . 1 1 170 170 MET N N 170 123.431 123.431 116.759 6.672 19413 9449 1 11 . 1 1 170 170 MET HA H 170 4.600 4.600 4.015 0.585 19413 9450 1 11 . 1 1 170 170 MET CA C 170 57.233 57.233 58.925 -1.692 19413 9451 1 11 . 1 1 170 170 MET CB C 170 32.751 32.751 30.117 2.634 19413 9452 1 11 . 1 1 170 170 MET H H 170 9.186 9.186 8.064 1.122 19413 9453 1 11 . 1 1 171 171 ASP N N 171 120.825 120.825 119.947 0.878 19413 9454 1 11 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.380 0.113 19413 9455 1 11 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.786 -0.280 19413 9456 1 11 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.135 -1.347 19413 9457 1 11 . 1 1 171 171 ASP H H 171 8.232 8.232 8.303 -0.071 19413 9458 1 11 . 1 1 172 172 VAL N N 172 122.666 122.666 119.560 3.106 19413 9459 1 11 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.767 0.011 19413 9460 1 11 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.987 -0.448 19413 9461 1 11 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.263 0.592 19413 9462 1 11 . 1 1 172 172 VAL H H 172 7.872 7.872 7.901 -0.029 19413 9463 1 11 . 1 1 173 173 PHE N N 173 121.872 121.872 120.853 1.019 19413 9464 1 11 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.189 0.191 19413 9465 1 11 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.869 -0.405 19413 9466 1 11 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.713 0.561 19413 9467 1 11 . 1 1 173 173 PHE H H 173 8.250 8.250 7.859 0.391 19413 9468 1 11 . 1 1 174 174 VAL N N 174 117.535 117.535 119.201 -1.666 19413 9469 1 11 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.225 -0.182 19413 9470 1 11 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.045 0.858 19413 9471 1 11 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.958 0.413 19413 9472 1 11 . 1 1 174 174 VAL H H 174 8.138 8.138 7.910 0.228 19413 9473 1 11 . 1 1 175 175 ALA N N 175 121.129 121.129 122.704 -1.575 19413 9474 1 11 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.915 0.211 19413 9475 1 11 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.193 -0.425 19413 9476 1 11 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.386 -0.371 19413 9477 1 11 . 1 1 175 175 ALA H H 175 7.396 7.396 8.425 -1.029 19413 9478 1 11 . 1 1 176 176 GLN N N 176 120.043 120.043 116.698 3.345 19413 9479 1 11 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.139 -0.060 19413 9480 1 11 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.744 1.218 19413 9481 1 11 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.191 -1.142 19413 9482 1 11 . 1 1 176 176 GLN H H 176 8.721 8.721 7.609 1.112 19413 9483 1 11 . 1 1 177 177 TYR N N 177 127.981 127.981 123.335 4.646 19413 9484 1 11 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.959 -0.368 19413 9485 1 11 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.711 -0.149 19413 9486 1 11 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.155 -0.177 19413 9487 1 11 . 1 1 177 177 TYR H H 177 9.002 9.002 8.238 0.764 19413 9488 1 11 . 1 1 178 178 ALA N N 178 119.796 119.796 119.210 0.586 19413 9489 1 11 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.921 0.108 19413 9490 1 11 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.112 0.292 19413 9491 1 11 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.873 0.096 19413 9492 1 11 . 1 1 178 178 ALA H H 178 8.392 8.392 8.102 0.290 19413 9493 1 11 . 1 1 179 179 ASP N N 179 117.823 117.823 118.006 -0.183 19413 9494 1 11 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.261 0.158 19413 9495 1 11 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.730 -0.434 19413 9496 1 11 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.597 1.206 19413 9497 1 11 . 1 1 179 179 ASP H H 179 8.379 8.379 7.944 0.435 19413 9498 1 11 . 1 1 180 180 THR N N 180 117.846 117.846 115.176 2.670 19413 9499 1 11 . 1 1 180 180 THR HA H 180 4.179 4.179 3.996 0.183 19413 9500 1 11 . 1 1 180 180 THR CA C 180 67.378 67.378 65.944 1.434 19413 9501 1 11 . 1 1 180 180 THR CB C 180 67.733 67.733 68.456 -0.723 19413 9502 1 11 . 1 1 180 180 THR H H 180 8.255 8.255 7.645 0.610 19413 9503 1 11 . 1 1 181 181 VAL N N 181 120.101 120.101 121.915 -1.814 19413 9504 1 11 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.412 -0.231 19413 9505 1 11 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.639 1.141 19413 9506 1 11 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.256 -0.325 19413 9507 1 11 . 1 1 181 181 VAL H H 181 7.772 7.772 7.834 -0.062 19413 9508 1 11 . 1 1 182 182 LYS N N 182 119.144 119.144 118.543 0.601 19413 9509 1 11 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.865 -0.235 19413 9510 1 11 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.471 0.890 19413 9511 1 11 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.141 0.139 19413 9512 1 11 . 1 1 182 182 LYS H H 182 7.758 7.758 7.631 0.127 19413 9513 1 11 . 1 1 183 183 GLN N N 183 116.269 116.269 118.169 -1.900 19413 9514 1 11 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.973 0.012 19413 9515 1 11 . 1 1 183 183 GLN CA C 183 59.283 59.283 59.115 0.168 19413 9516 1 11 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.636 0.688 19413 9517 1 11 . 1 1 183 183 GLN H H 183 8.114 8.114 7.979 0.135 19413 9518 1 11 . 1 1 184 184 LEU N N 184 119.688 119.688 117.995 1.693 19413 9519 1 11 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.705 -0.070 19413 9520 1 11 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.544 0.497 19413 9521 1 11 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.364 0.696 19413 9522 1 11 . 1 1 184 184 LEU H H 184 8.000 8.000 7.560 0.440 19413 9523 1 11 . 1 1 185 185 VAL N N 185 121.017 121.017 116.907 4.110 19413 9524 1 11 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.730 -0.218 19413 9525 1 11 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.652 0.090 19413 9526 1 11 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.459 0.105 19413 9527 1 11 . 1 1 185 185 VAL H H 185 8.494 8.494 7.760 0.734 19413 9528 1 11 . 1 1 186 186 GLU N N 186 117.535 117.535 119.119 -1.584 19413 9529 1 11 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.211 -0.091 19413 9530 1 11 . 1 1 186 186 GLU CA C 186 57.159 57.159 58.374 -1.215 19413 9531 1 11 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.815 -0.026 19413 9532 1 11 . 1 1 186 186 GLU H H 186 7.541 7.541 7.619 -0.078 19413 9533 1 11 . 1 1 187 187 LYS N N 187 121.929 121.929 119.941 1.988 19413 9534 1 11 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.292 -0.166 19413 9535 1 11 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.451 2.297 19413 9536 1 11 . 1 1 187 187 LYS CB C 187 32.718 32.718 30.957 1.761 19413 9537 1 11 . 1 1 187 187 LYS H H 187 7.358 7.358 7.559 -0.201 19413 9538 1 12 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.740 0.031 19413 9539 1 12 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.076 0.212 19413 9540 1 12 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.029 -0.108 19413 9541 1 12 . 1 1 1 1 ALA N N 1 125.275 125.275 123.807 1.468 19413 9542 1 12 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.226 0.093 19413 9543 1 12 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.442 -0.409 19413 9544 1 12 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.562 1.562 19413 9545 1 12 . 1 1 1 1 ALA H H 1 8.441 8.441 7.928 0.513 19413 9546 1 12 . 1 1 2 2 GLN N N 2 121.120 121.120 118.763 2.357 19413 9547 1 12 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.582 -0.103 19413 9548 1 12 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.479 -0.066 19413 9549 1 12 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.404 -1.910 19413 9550 1 12 . 1 1 2 2 GLN H H 2 8.334 8.334 8.099 0.235 19413 9551 1 12 . 1 1 3 3 ILE N N 3 120.380 120.380 119.383 0.997 19413 9552 1 12 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.547 -0.136 19413 9553 1 12 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.618 1.175 19413 9554 1 12 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.107 -0.416 19413 9555 1 12 . 1 1 3 3 ILE H H 3 8.197 8.197 7.934 0.263 19413 9556 1 12 . 1 1 4 4 THR N N 4 120.223 120.223 116.504 3.719 19413 9557 1 12 . 1 1 4 4 THR HA H 4 4.566 4.566 4.633 -0.067 19413 9558 1 12 . 1 1 4 4 THR CA C 4 61.500 61.500 60.923 0.577 19413 9559 1 12 . 1 1 4 4 THR CB C 4 71.727 71.727 71.040 0.687 19413 9560 1 12 . 1 1 4 4 THR H H 4 9.119 9.119 8.163 0.956 19413 9561 1 12 . 1 1 5 5 ASP N N 5 128.193 128.193 124.878 3.315 19413 9562 1 12 . 1 1 5 5 ASP HA H 5 3.146 3.146 2.969 0.177 19413 9563 1 12 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.797 0.552 19413 9564 1 12 . 1 1 5 5 ASP CB C 5 41.001 41.001 38.870 2.131 19413 9565 1 12 . 1 1 5 5 ASP H H 5 8.510 8.510 8.710 -0.200 19413 9566 1 12 . 1 1 6 6 GLY N N 6 117.400 117.400 114.432 2.968 19413 9567 1 12 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.034 -0.052 19413 9568 1 12 . 1 1 6 6 GLY H H 6 8.608 8.608 8.567 0.041 19413 9569 1 12 . 1 1 7 7 LYS N N 7 122.122 122.122 121.337 0.785 19413 9570 1 12 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.397 0.205 19413 9571 1 12 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.972 -0.308 19413 9572 1 12 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.214 -1.450 19413 9573 1 12 . 1 1 7 7 LYS H H 7 8.131 8.131 7.773 0.358 19413 9574 1 12 . 1 1 8 8 GLN N N 8 115.920 115.920 115.908 0.012 19413 9575 1 12 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.456 -0.327 19413 9576 1 12 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.071 1.996 19413 9577 1 12 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.049 -2.963 19413 9578 1 12 . 1 1 8 8 GLN H H 8 8.548 8.548 7.937 0.611 19413 9579 1 12 . 1 1 9 9 TYR N N 9 112.118 112.118 114.227 -2.109 19413 9580 1 12 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.436 -0.318 19413 9581 1 12 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.750 -1.012 19413 9582 1 12 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.385 -0.207 19413 9583 1 12 . 1 1 9 9 TYR H H 9 7.572 7.572 7.492 0.080 19413 9584 1 12 . 1 1 10 10 ILE N N 10 119.488 119.488 118.236 1.252 19413 9585 1 12 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.657 -0.076 19413 9586 1 12 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.383 0.615 19413 9587 1 12 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.901 0.102 19413 9588 1 12 . 1 1 10 10 ILE H H 10 9.365 9.365 9.380 -0.015 19413 9589 1 12 . 1 1 11 11 THR N N 11 126.054 126.054 114.276 11.778 19413 9590 1 12 . 1 1 11 11 THR HA H 11 4.837 4.837 5.485 -0.648 19413 9591 1 12 . 1 1 11 11 THR CA C 11 63.376 63.376 60.364 3.013 19413 9592 1 12 . 1 1 11 11 THR CB C 11 68.487 68.487 70.733 -2.246 19413 9593 1 12 . 1 1 11 11 THR H H 11 9.153 9.153 8.218 0.935 19413 9594 1 12 . 1 1 12 12 LEU N N 12 129.370 129.370 120.625 8.745 19413 9595 1 12 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.676 -0.427 19413 9596 1 12 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.287 0.999 19413 9597 1 12 . 1 1 12 12 LEU CB C 12 41.506 41.506 44.223 -2.717 19413 9598 1 12 . 1 1 12 12 LEU H H 12 8.636 8.636 8.142 0.494 19413 9599 1 12 . 1 1 13 13 ASP N N 13 122.179 122.179 122.496 -0.317 19413 9600 1 12 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.490 -0.052 19413 9601 1 12 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.740 -0.016 19413 9602 1 12 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.408 -0.524 19413 9603 1 12 . 1 1 13 13 ASP H H 13 8.494 8.494 8.460 0.034 19413 9604 1 12 . 1 1 14 14 LYS N N 14 119.361 119.361 119.456 -0.095 19413 9605 1 12 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.651 0.111 19413 9606 1 12 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.750 -1.263 19413 9607 1 12 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.069 -0.166 19413 9608 1 12 . 1 1 14 14 LYS H H 14 7.714 7.714 7.993 -0.279 19413 9609 1 12 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.522 0.081 19413 9610 1 12 . 1 1 15 15 PRO CA C 15 62.261 62.261 63.505 -1.244 19413 9611 1 12 . 1 1 15 15 PRO CB C 15 32.697 32.697 31.978 0.719 19413 9612 1 12 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.187 0.175 19413 9613 1 12 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.216 -1.640 19413 9614 1 12 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.914 -1.672 19413 9615 1 12 . 1 1 17 17 ALA N N 17 130.287 130.287 125.719 4.568 19413 9616 1 12 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.053 0.295 19413 9617 1 12 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.264 -0.613 19413 9618 1 12 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.001 1.343 19413 9619 1 12 . 1 1 17 17 ALA H H 17 8.396 8.396 8.515 -0.119 19413 9620 1 12 . 1 1 18 18 GLY CA C 18 45.218 45.218 43.817 1.401 19413 9621 1 12 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.397 0.003 19413 9622 1 12 . 1 1 20 20 PRO CA C 20 63.392 63.392 64.206 -0.814 19413 9623 1 12 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.306 -0.628 19413 9624 1 12 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.557 0.481 19413 9625 1 12 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.309 -1.343 19413 9626 1 12 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.177 -0.064 19413 9627 1 12 . 1 1 24 24 GLU N N 24 127.720 127.720 120.745 6.975 19413 9628 1 12 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.333 0.272 19413 9629 1 12 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.171 -1.733 19413 9630 1 12 . 1 1 24 24 GLU CB C 24 33.704 33.704 31.955 1.749 19413 9631 1 12 . 1 1 24 24 GLU H H 24 8.973 8.973 8.431 0.542 19413 9632 1 12 . 1 1 25 25 PHE N N 25 121.108 121.108 121.779 -0.671 19413 9633 1 12 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.202 0.864 19413 9634 1 12 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.376 -1.431 19413 9635 1 12 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.194 0.812 19413 9636 1 12 . 1 1 25 25 PHE H H 25 9.266 9.266 9.076 0.190 19413 9637 1 12 . 1 1 26 26 PHE N N 26 120.125 120.125 120.507 -0.382 19413 9638 1 12 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.043 -0.262 19413 9639 1 12 . 1 1 26 26 PHE CA C 26 54.838 54.838 55.241 -0.403 19413 9640 1 12 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.590 2.014 19413 9641 1 12 . 1 1 26 26 PHE H H 26 8.957 8.957 8.421 0.536 19413 9642 1 12 . 1 1 27 27 SER N N 27 109.643 109.643 112.909 -3.266 19413 9643 1 12 . 1 1 27 27 SER HA H 27 3.584 3.584 3.785 -0.201 19413 9644 1 12 . 1 1 27 27 SER CA C 27 54.556 54.556 54.921 -0.365 19413 9645 1 12 . 1 1 27 27 SER CB C 27 64.711 64.711 65.326 -0.615 19413 9646 1 12 . 1 1 27 27 SER H H 27 6.543 6.543 8.157 -1.614 19413 9647 1 12 . 1 1 28 28 PHE N N 28 132.096 132.096 122.743 9.353 19413 9648 1 12 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.376 0.991 19413 9649 1 12 . 1 1 28 28 PHE CA C 28 62.530 62.530 57.480 5.050 19413 9650 1 12 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.026 0.617 19413 9651 1 12 . 1 1 28 28 PHE H H 28 11.199 11.199 8.537 2.662 19413 9652 1 12 . 1 1 29 29 TYR N N 29 115.582 115.582 115.898 -0.316 19413 9653 1 12 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.489 -0.120 19413 9654 1 12 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.113 1.732 19413 9655 1 12 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.241 1.540 19413 9656 1 12 . 1 1 29 29 TYR H H 29 8.619 8.619 7.616 1.003 19413 9657 1 12 . 1 1 30 30 CYS N N 30 121.025 121.025 118.239 2.786 19413 9658 1 12 . 1 1 30 30 CYS HA H 30 5.006 5.006 5.046 -0.040 19413 9659 1 12 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.080 -2.621 19413 9660 1 12 . 1 1 30 30 CYS CB C 30 46.378 46.378 28.750 17.628 19413 9661 1 12 . 1 1 30 30 CYS H H 30 7.284 7.284 7.761 -0.477 19413 9662 1 12 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.588 0.488 19413 9663 1 12 . 1 1 31 31 PRO CA C 31 65.973 65.973 65.376 0.597 19413 9664 1 12 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.418 -0.210 19413 9665 1 12 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.155 0.449 19413 9666 1 12 . 1 1 32 32 HIS CA C 32 58.447 58.447 61.292 -2.845 19413 9667 1 12 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.364 1.690 19413 9668 1 12 . 1 1 33 33 CYS N N 33 117.365 117.365 117.482 -0.117 19413 9669 1 12 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.223 0.316 19413 9670 1 12 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.077 1.115 19413 9671 1 12 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.058 7.785 19413 9672 1 12 . 1 1 33 33 CYS H H 33 8.921 8.921 8.728 0.193 19413 9673 1 12 . 1 1 34 34 TYR N N 34 123.491 123.491 121.060 2.431 19413 9674 1 12 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.386 -1.625 19413 9675 1 12 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.242 -1.809 19413 9676 1 12 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.627 -1.142 19413 9677 1 12 . 1 1 34 34 TYR H H 34 7.650 7.650 7.781 -0.131 19413 9678 1 12 . 1 1 35 35 GLN N N 35 118.639 118.639 117.480 1.159 19413 9679 1 12 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.887 -0.175 19413 9680 1 12 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.702 -0.292 19413 9681 1 12 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.208 -0.275 19413 9682 1 12 . 1 1 35 35 GLN H H 35 7.641 7.641 7.912 -0.271 19413 9683 1 12 . 1 1 36 36 PHE N N 36 121.254 121.254 116.858 4.396 19413 9684 1 12 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.177 -0.147 19413 9685 1 12 . 1 1 36 36 PHE CA C 36 60.801 60.801 59.938 0.863 19413 9686 1 12 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.454 0.465 19413 9687 1 12 . 1 1 36 36 PHE H H 36 8.721 8.721 8.755 -0.034 19413 9688 1 12 . 1 1 37 37 GLU N N 37 116.279 116.279 115.164 1.115 19413 9689 1 12 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.259 0.068 19413 9690 1 12 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.459 2.325 19413 9691 1 12 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.462 0.394 19413 9692 1 12 . 1 1 37 37 GLU H H 37 7.705 7.705 7.404 0.301 19413 9693 1 12 . 1 1 38 38 GLU N N 38 112.285 112.285 116.105 -3.820 19413 9694 1 12 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.037 -0.031 19413 9695 1 12 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.604 -1.026 19413 9696 1 12 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.631 -1.848 19413 9697 1 12 . 1 1 38 38 GLU H H 38 7.870 7.870 7.922 -0.052 19413 9698 1 12 . 1 1 39 39 VAL N N 39 117.365 117.365 118.628 -1.263 19413 9699 1 12 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.007 0.001 19413 9700 1 12 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.377 0.588 19413 9701 1 12 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.011 -0.652 19413 9702 1 12 . 1 1 39 39 VAL H H 39 6.850 6.850 7.463 -0.613 19413 9703 1 12 . 1 1 40 40 LEU N N 40 116.098 116.098 117.661 -1.563 19413 9704 1 12 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.141 -0.048 19413 9705 1 12 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.785 -0.686 19413 9706 1 12 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.199 0.914 19413 9707 1 12 . 1 1 40 40 LEU H H 40 8.171 8.171 7.949 0.222 19413 9708 1 12 . 1 1 41 41 HIS N N 41 111.930 111.930 115.014 -3.084 19413 9709 1 12 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.373 0.133 19413 9710 1 12 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.120 -1.653 19413 9711 1 12 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.736 -1.133 19413 9712 1 12 . 1 1 41 41 HIS H H 41 6.459 6.459 7.326 -0.867 19413 9713 1 12 . 1 1 42 42 VAL N N 42 120.465 120.465 120.989 -0.524 19413 9714 1 12 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.464 -0.436 19413 9715 1 12 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.430 1.542 19413 9716 1 12 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.186 -0.300 19413 9717 1 12 . 1 1 42 42 VAL H H 42 8.621 8.621 8.300 0.321 19413 9718 1 12 . 1 1 43 43 SER N N 43 113.968 113.968 114.318 -0.350 19413 9719 1 12 . 1 1 43 43 SER HA H 43 4.002 4.002 4.043 -0.041 19413 9720 1 12 . 1 1 43 43 SER CA C 43 61.242 61.242 62.041 -0.799 19413 9721 1 12 . 1 1 43 43 SER CB C 43 62.565 62.565 62.602 -0.037 19413 9722 1 12 . 1 1 43 43 SER H H 43 8.040 8.040 8.270 -0.230 19413 9723 1 12 . 1 1 44 44 ASP N N 44 121.731 121.731 121.626 0.105 19413 9724 1 12 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.366 0.048 19413 9725 1 12 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.717 -0.485 19413 9726 1 12 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.733 0.299 19413 9727 1 12 . 1 1 44 44 ASP H H 44 8.215 8.215 7.617 0.598 19413 9728 1 12 . 1 1 45 45 ASN N N 45 118.906 118.906 117.795 1.111 19413 9729 1 12 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.436 -0.164 19413 9730 1 12 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.238 1.084 19413 9731 1 12 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.800 0.827 19413 9732 1 12 . 1 1 45 45 ASN H H 45 7.860 7.860 8.063 -0.203 19413 9733 1 12 . 1 1 46 46 VAL N N 46 119.934 119.934 118.081 1.853 19413 9734 1 12 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.716 -0.251 19413 9735 1 12 . 1 1 46 46 VAL CA C 46 66.801 66.801 65.502 1.299 19413 9736 1 12 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.223 0.126 19413 9737 1 12 . 1 1 46 46 VAL H H 46 8.583 8.583 8.346 0.237 19413 9738 1 12 . 1 1 47 47 ARG N N 47 119.655 119.655 120.615 -0.960 19413 9739 1 12 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.936 -0.115 19413 9740 1 12 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.559 0.243 19413 9741 1 12 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.908 0.430 19413 9742 1 12 . 1 1 47 47 ARG H H 47 8.522 8.522 7.856 0.666 19413 9743 1 12 . 1 1 48 48 GLN N N 48 115.072 115.072 116.758 -1.686 19413 9744 1 12 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.209 -0.091 19413 9745 1 12 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.929 -0.200 19413 9746 1 12 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.715 0.295 19413 9747 1 12 . 1 1 48 48 GLN H H 48 7.605 7.605 7.858 -0.253 19413 9748 1 12 . 1 1 49 49 LYS N N 49 116.858 116.858 116.104 0.754 19413 9749 1 12 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.516 -0.094 19413 9750 1 12 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.541 -0.736 19413 9751 1 12 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.208 -0.560 19413 9752 1 12 . 1 1 49 49 LYS H H 49 7.460 7.460 7.973 -0.513 19413 9753 1 12 . 1 1 50 50 LEU N N 50 119.786 119.786 123.246 -3.460 19413 9754 1 12 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.306 0.093 19413 9755 1 12 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.753 -0.825 19413 9756 1 12 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.819 -0.865 19413 9757 1 12 . 1 1 50 50 LEU H H 50 7.215 7.215 7.225 -0.010 19413 9758 1 12 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.538 -0.062 19413 9759 1 12 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.233 0.039 19413 9760 1 12 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.467 -1.013 19413 9761 1 12 . 1 1 52 52 GLU N N 52 126.400 126.400 122.187 4.213 19413 9762 1 12 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.100 0.000 19413 9763 1 12 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.242 0.873 19413 9764 1 12 . 1 1 52 52 GLU CB C 52 29.336 29.336 29.384 -0.048 19413 9765 1 12 . 1 1 52 52 GLU H H 52 8.935 8.935 8.758 0.177 19413 9766 1 12 . 1 1 53 53 GLY N N 53 113.671 113.671 113.552 0.119 19413 9767 1 12 . 1 1 53 53 GLY CA C 53 44.846 44.846 44.859 -0.013 19413 9768 1 12 . 1 1 53 53 GLY H H 53 8.948 8.948 8.451 0.497 19413 9769 1 12 . 1 1 54 54 THR N N 54 118.129 118.129 116.442 1.687 19413 9770 1 12 . 1 1 54 54 THR HA H 54 4.161 4.161 4.029 0.132 19413 9771 1 12 . 1 1 54 54 THR CA C 54 63.707 63.707 63.904 -0.197 19413 9772 1 12 . 1 1 54 54 THR CB C 54 68.784 68.784 69.143 -0.359 19413 9773 1 12 . 1 1 54 54 THR H H 54 7.696 7.696 7.834 -0.138 19413 9774 1 12 . 1 1 55 55 LYS N N 55 129.892 129.892 121.220 8.672 19413 9775 1 12 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.113 0.262 19413 9776 1 12 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.726 -0.891 19413 9777 1 12 . 1 1 55 55 LYS CB C 55 33.448 33.448 31.817 1.631 19413 9778 1 12 . 1 1 55 55 LYS H H 55 8.757 8.757 8.400 0.357 19413 9779 1 12 . 1 1 56 56 MET N N 56 125.391 125.391 119.336 6.055 19413 9780 1 12 . 1 1 56 56 MET HA H 56 5.258 5.258 4.367 0.891 19413 9781 1 12 . 1 1 56 56 MET CA C 56 54.436 54.436 56.783 -2.347 19413 9782 1 12 . 1 1 56 56 MET CB C 56 34.394 34.394 33.432 0.962 19413 9783 1 12 . 1 1 56 56 MET H H 56 8.512 8.512 8.158 0.354 19413 9784 1 12 . 1 1 57 57 THR N N 57 124.711 124.711 114.087 10.624 19413 9785 1 12 . 1 1 57 57 THR HA H 57 4.390 4.390 4.583 -0.193 19413 9786 1 12 . 1 1 57 57 THR CA C 57 61.942 61.942 61.321 0.621 19413 9787 1 12 . 1 1 57 57 THR CB C 57 70.952 70.952 71.240 -0.288 19413 9788 1 12 . 1 1 57 57 THR H H 57 8.830 8.830 8.436 0.394 19413 9789 1 12 . 1 1 58 58 LYS N N 58 126.113 126.113 120.249 5.864 19413 9790 1 12 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.246 0.036 19413 9791 1 12 . 1 1 58 58 LYS CA C 58 54.501 54.501 55.898 -1.397 19413 9792 1 12 . 1 1 58 58 LYS CB C 58 35.417 35.417 35.388 0.029 19413 9793 1 12 . 1 1 58 58 LYS H H 58 8.739 8.739 8.588 0.151 19413 9794 1 12 . 1 1 59 59 TYR N N 59 127.472 127.472 122.754 4.718 19413 9795 1 12 . 1 1 59 59 TYR HA H 59 5.626 5.626 5.045 0.581 19413 9796 1 12 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.545 -3.720 19413 9797 1 12 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.843 -0.158 19413 9798 1 12 . 1 1 59 59 TYR H H 59 9.524 9.524 9.018 0.506 19413 9799 1 12 . 1 1 60 60 HIS N N 60 123.656 123.656 119.039 4.617 19413 9800 1 12 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.047 -0.663 19413 9801 1 12 . 1 1 60 60 HIS CA C 60 55.467 55.467 54.205 1.262 19413 9802 1 12 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.543 -1.724 19413 9803 1 12 . 1 1 60 60 HIS H H 60 9.284 9.284 8.266 1.018 19413 9804 1 12 . 1 1 61 61 VAL N N 61 112.397 112.397 122.545 -10.148 19413 9805 1 12 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.414 0.323 19413 9806 1 12 . 1 1 61 61 VAL CA C 61 58.079 58.079 60.463 -2.384 19413 9807 1 12 . 1 1 61 61 VAL CB C 61 33.885 33.885 32.860 1.025 19413 9808 1 12 . 1 1 61 61 VAL H H 61 6.262 6.262 7.543 -1.281 19413 9809 1 12 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.532 -0.491 19413 9810 1 12 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.754 -0.426 19413 9811 1 12 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.022 0.730 19413 9812 1 12 . 1 1 63 63 PHE N N 63 111.215 111.215 121.947 -10.732 19413 9813 1 12 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.254 0.317 19413 9814 1 12 . 1 1 63 63 PHE CA C 63 57.709 57.709 60.347 -2.639 19413 9815 1 12 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.298 -1.693 19413 9816 1 12 . 1 1 63 63 PHE H H 63 6.419 6.419 7.988 -1.569 19413 9817 1 12 . 1 1 64 64 LEU N N 64 119.701 119.701 119.989 -0.288 19413 9818 1 12 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.257 0.438 19413 9819 1 12 . 1 1 64 64 LEU CA C 64 53.812 53.812 55.248 -1.436 19413 9820 1 12 . 1 1 64 64 LEU CB C 64 44.338 44.338 42.494 1.844 19413 9821 1 12 . 1 1 64 64 LEU H H 64 6.396 6.396 7.775 -1.379 19413 9822 1 12 . 1 1 65 65 GLY N N 65 108.957 108.957 109.581 -0.624 19413 9823 1 12 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.969 -0.791 19413 9824 1 12 . 1 1 65 65 GLY H H 65 8.084 8.084 7.922 0.162 19413 9825 1 12 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.297 0.114 19413 9826 1 12 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.551 0.444 19413 9827 1 12 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.115 -0.324 19413 9828 1 12 . 1 1 67 67 LEU N N 67 114.479 114.479 118.716 -4.237 19413 9829 1 12 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.830 0.637 19413 9830 1 12 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.230 -1.337 19413 9831 1 12 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.939 -0.501 19413 9832 1 12 . 1 1 67 67 LEU H H 67 7.484 7.484 8.232 -0.748 19413 9833 1 12 . 1 1 68 68 GLY N N 68 108.957 108.957 109.270 -0.313 19413 9834 1 12 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.459 2.048 19413 9835 1 12 . 1 1 68 68 GLY H H 68 7.659 7.659 7.808 -0.149 19413 9836 1 12 . 1 1 69 69 LYS N N 69 124.459 124.459 121.306 3.153 19413 9837 1 12 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.002 0.044 19413 9838 1 12 . 1 1 69 69 LYS CA C 69 61.036 61.036 59.037 1.999 19413 9839 1 12 . 1 1 69 69 LYS CB C 69 31.592 31.592 31.944 -0.352 19413 9840 1 12 . 1 1 69 69 LYS H H 69 9.149 9.149 8.533 0.616 19413 9841 1 12 . 1 1 70 70 ASP N N 70 122.631 122.631 119.579 3.052 19413 9842 1 12 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.457 0.258 19413 9843 1 12 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.429 -0.534 19413 9844 1 12 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.614 1.542 19413 9845 1 12 . 1 1 70 70 ASP H H 70 8.519 8.519 8.344 0.175 19413 9846 1 12 . 1 1 71 71 LEU N N 71 119.276 119.276 121.047 -1.771 19413 9847 1 12 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.752 0.484 19413 9848 1 12 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.501 -1.224 19413 9849 1 12 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.488 1.589 19413 9850 1 12 . 1 1 71 71 LEU H H 71 9.421 9.421 8.634 0.787 19413 9851 1 12 . 1 1 72 72 THR N N 72 119.204 119.204 114.565 4.639 19413 9852 1 12 . 1 1 72 72 THR HA H 72 4.033 4.033 3.921 0.112 19413 9853 1 12 . 1 1 72 72 THR CA C 72 67.403 67.403 66.766 0.637 19413 9854 1 12 . 1 1 72 72 THR CB C 72 68.170 68.170 68.244 -0.074 19413 9855 1 12 . 1 1 72 72 THR H H 72 7.762 7.762 7.587 0.175 19413 9856 1 12 . 1 1 73 73 GLN N N 73 125.845 125.845 121.887 3.958 19413 9857 1 12 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.622 0.041 19413 9858 1 12 . 1 1 73 73 GLN CA C 73 59.403 59.403 59.047 0.356 19413 9859 1 12 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.126 -2.567 19413 9860 1 12 . 1 1 73 73 GLN H H 73 7.822 7.822 7.867 -0.045 19413 9861 1 12 . 1 1 74 74 ALA N N 74 123.013 123.013 122.212 0.801 19413 9862 1 12 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.209 -0.076 19413 9863 1 12 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.016 -0.112 19413 9864 1 12 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.273 0.877 19413 9865 1 12 . 1 1 74 74 ALA H H 74 8.966 8.966 8.195 0.771 19413 9866 1 12 . 1 1 75 75 TRP N N 75 120.717 120.717 120.513 0.204 19413 9867 1 12 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.327 0.572 19413 9868 1 12 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.444 -1.372 19413 9869 1 12 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.809 -0.218 19413 9870 1 12 . 1 1 75 75 TRP H H 75 8.932 8.932 8.597 0.335 19413 9871 1 12 . 1 1 76 76 ALA N N 76 119.394 119.394 121.463 -2.069 19413 9872 1 12 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.837 0.138 19413 9873 1 12 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.426 -0.548 19413 9874 1 12 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.763 2.402 19413 9875 1 12 . 1 1 76 76 ALA H H 76 7.650 7.650 7.959 -0.309 19413 9876 1 12 . 1 1 77 77 VAL N N 77 119.658 119.658 119.329 0.329 19413 9877 1 12 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.438 -0.214 19413 9878 1 12 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.023 0.885 19413 9879 1 12 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.372 -1.255 19413 9880 1 12 . 1 1 77 77 VAL H H 77 8.074 8.074 7.274 0.800 19413 9881 1 12 . 1 1 78 78 ALA N N 78 121.951 121.951 122.176 -0.225 19413 9882 1 12 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.141 -0.117 19413 9883 1 12 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.222 -0.381 19413 9884 1 12 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.061 -0.562 19413 9885 1 12 . 1 1 78 78 ALA H H 78 8.421 8.421 7.559 0.862 19413 9886 1 12 . 1 1 79 79 ILE N N 79 118.384 118.384 118.930 -0.546 19413 9887 1 12 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.849 -0.233 19413 9888 1 12 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.727 -0.743 19413 9889 1 12 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.988 0.208 19413 9890 1 12 . 1 1 79 79 ILE H H 79 8.122 8.122 8.142 -0.020 19413 9891 1 12 . 1 1 80 80 ALA N N 80 124.708 124.708 119.731 4.977 19413 9892 1 12 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.219 -0.241 19413 9893 1 12 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.045 0.870 19413 9894 1 12 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.939 -0.834 19413 9895 1 12 . 1 1 80 80 ALA H H 80 8.694 8.694 7.744 0.950 19413 9896 1 12 . 1 1 81 81 LEU N N 81 114.303 114.303 118.072 -3.769 19413 9897 1 12 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.472 -0.092 19413 9898 1 12 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.755 -0.173 19413 9899 1 12 . 1 1 81 81 LEU CB C 81 43.212 43.212 43.290 -0.078 19413 9900 1 12 . 1 1 81 81 LEU H H 81 8.469 8.469 7.548 0.921 19413 9901 1 12 . 1 1 82 82 GLY N N 82 112.196 112.196 109.183 3.013 19413 9902 1 12 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.858 1.101 19413 9903 1 12 . 1 1 82 82 GLY H H 82 7.955 7.955 7.994 -0.039 19413 9904 1 12 . 1 1 83 83 VAL N N 83 109.426 109.426 111.601 -2.175 19413 9905 1 12 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.536 0.385 19413 9906 1 12 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.903 -1.721 19413 9907 1 12 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.952 -1.511 19413 9908 1 12 . 1 1 83 83 VAL H H 83 8.267 8.267 7.947 0.320 19413 9909 1 12 . 1 1 84 84 GLU N N 84 127.081 127.081 124.031 3.050 19413 9910 1 12 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.750 -0.166 19413 9911 1 12 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.108 1.248 19413 9912 1 12 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.670 0.300 19413 9913 1 12 . 1 1 84 84 GLU H H 84 10.566 10.566 8.496 2.070 19413 9914 1 12 . 1 1 85 85 ASP N N 85 117.467 117.467 115.930 1.537 19413 9915 1 12 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.581 0.006 19413 9916 1 12 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.001 0.278 19413 9917 1 12 . 1 1 85 85 ASP CB C 85 39.732 39.732 39.854 -0.122 19413 9918 1 12 . 1 1 85 85 ASP H H 85 8.946 8.946 8.796 0.150 19413 9919 1 12 . 1 1 86 86 LYS N N 86 119.121 119.121 117.035 2.086 19413 9920 1 12 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.342 0.077 19413 9921 1 12 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.146 0.033 19413 9922 1 12 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.486 -0.060 19413 9923 1 12 . 1 1 86 86 LYS H H 86 7.745 7.745 7.788 -0.043 19413 9924 1 12 . 1 1 87 87 ILE N N 87 108.193 108.193 113.480 -5.287 19413 9925 1 12 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.436 -0.198 19413 9926 1 12 . 1 1 87 87 ILE CA C 87 59.320 59.320 61.584 -2.264 19413 9927 1 12 . 1 1 87 87 ILE CB C 87 40.000 40.000 39.002 0.999 19413 9928 1 12 . 1 1 87 87 ILE H H 87 7.343 7.343 7.879 -0.536 19413 9929 1 12 . 1 1 88 88 THR N N 88 119.455 119.455 118.848 0.607 19413 9930 1 12 . 1 1 88 88 THR HA H 88 4.053 4.053 3.792 0.261 19413 9931 1 12 . 1 1 88 88 THR CA C 88 69.780 69.780 67.726 2.054 19413 9932 1 12 . 1 1 88 88 THR CB C 88 68.491 68.491 68.896 -0.405 19413 9933 1 12 . 1 1 88 88 THR H H 88 7.746 7.746 8.192 -0.446 19413 9934 1 12 . 1 1 89 89 ALA N N 89 123.122 123.122 122.866 0.256 19413 9935 1 12 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.177 0.423 19413 9936 1 12 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.260 1.031 19413 9937 1 12 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.826 -1.629 19413 9938 1 12 . 1 1 89 89 ALA H H 89 9.125 9.125 8.593 0.532 19413 9939 1 12 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.266 0.150 19413 9940 1 12 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.345 -0.124 19413 9941 1 12 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.378 0.033 19413 9942 1 12 . 1 1 91 91 MET N N 91 119.468 119.468 119.287 0.181 19413 9943 1 12 . 1 1 91 91 MET HA H 91 4.370 4.370 4.063 0.307 19413 9944 1 12 . 1 1 91 91 MET CA C 91 56.901 56.901 58.297 -1.396 19413 9945 1 12 . 1 1 91 91 MET CB C 91 30.059 30.059 31.768 -1.709 19413 9946 1 12 . 1 1 91 91 MET H H 91 8.176 8.176 7.684 0.492 19413 9947 1 12 . 1 1 92 92 PHE N N 92 120.720 120.720 118.786 1.934 19413 9948 1 12 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.199 0.319 19413 9949 1 12 . 1 1 92 92 PHE CA C 92 63.883 63.883 61.398 2.485 19413 9950 1 12 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.370 0.954 19413 9951 1 12 . 1 1 92 92 PHE H H 92 8.650 8.650 8.468 0.182 19413 9952 1 12 . 1 1 93 93 GLU N N 93 117.705 117.705 119.929 -2.224 19413 9953 1 12 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.066 -0.000 19413 9954 1 12 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.746 -0.343 19413 9955 1 12 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.769 -0.127 19413 9956 1 12 . 1 1 93 93 GLU H H 93 8.240 8.240 8.400 -0.160 19413 9957 1 12 . 1 1 94 94 ALA N N 94 123.067 123.067 120.594 2.473 19413 9958 1 12 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.669 -0.218 19413 9959 1 12 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.994 0.001 19413 9960 1 12 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.285 -0.282 19413 9961 1 12 . 1 1 94 94 ALA H H 94 8.431 8.431 7.960 0.471 19413 9962 1 12 . 1 1 95 95 VAL N N 95 115.582 115.582 117.249 -1.667 19413 9963 1 12 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.913 -0.191 19413 9964 1 12 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.809 0.995 19413 9965 1 12 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.727 -0.988 19413 9966 1 12 . 1 1 95 95 VAL H H 95 8.467 8.467 8.043 0.424 19413 9967 1 12 . 1 1 96 96 GLN N N 96 113.295 113.295 118.297 -5.002 19413 9968 1 12 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.327 0.224 19413 9969 1 12 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.956 0.270 19413 9970 1 12 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.062 0.617 19413 9971 1 12 . 1 1 96 96 GLN H H 96 8.184 8.184 8.245 -0.061 19413 9972 1 12 . 1 1 97 97 LYS N N 97 118.621 118.621 120.220 -1.599 19413 9973 1 12 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.210 0.477 19413 9974 1 12 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.518 -1.359 19413 9975 1 12 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.095 -0.553 19413 9976 1 12 . 1 1 97 97 LYS H H 97 8.231 8.231 7.730 0.501 19413 9977 1 12 . 1 1 98 98 THR N N 98 110.486 110.486 108.344 2.142 19413 9978 1 12 . 1 1 98 98 THR HA H 98 4.285 4.285 4.220 0.065 19413 9979 1 12 . 1 1 98 98 THR CA C 98 62.420 62.420 62.922 -0.502 19413 9980 1 12 . 1 1 98 98 THR CB C 98 68.343 68.343 70.014 -1.671 19413 9981 1 12 . 1 1 98 98 THR H H 98 8.612 8.612 8.165 0.447 19413 9982 1 12 . 1 1 99 99 GLN N N 99 115.751 115.751 115.358 0.393 19413 9983 1 12 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.162 0.023 19413 9984 1 12 . 1 1 99 99 GLN CA C 99 56.986 56.986 56.843 0.143 19413 9985 1 12 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.716 -1.093 19413 9986 1 12 . 1 1 99 99 GLN H H 99 6.979 6.979 8.177 -1.198 19413 9987 1 12 . 1 1 100 100 THR N N 100 108.660 108.660 112.294 -3.634 19413 9988 1 12 . 1 1 100 100 THR HA H 100 4.350 4.350 4.147 0.203 19413 9989 1 12 . 1 1 100 100 THR CA C 100 61.035 61.035 64.327 -3.292 19413 9990 1 12 . 1 1 100 100 THR CB C 100 68.306 68.306 69.191 -0.885 19413 9991 1 12 . 1 1 100 100 THR H H 100 8.362 8.362 7.549 0.813 19413 9992 1 12 . 1 1 101 101 VAL N N 101 121.417 121.417 122.385 -0.968 19413 9993 1 12 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.769 0.424 19413 9994 1 12 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.528 -2.561 19413 9995 1 12 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.546 0.803 19413 9996 1 12 . 1 1 101 101 VAL H H 101 7.376 7.376 7.818 -0.442 19413 9997 1 12 . 1 1 102 102 GLN N N 102 127.472 127.472 125.811 1.661 19413 9998 1 12 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.577 -0.013 19413 9999 1 12 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.955 -0.839 19413 10000 1 12 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.864 -1.096 19413 10001 1 12 . 1 1 102 102 GLN H H 102 9.583 9.583 8.643 0.940 19413 10002 1 12 . 1 1 103 103 SER N N 103 116.698 116.698 114.509 2.189 19413 10003 1 12 . 1 1 103 103 SER HA H 103 4.883 4.883 4.618 0.265 19413 10004 1 12 . 1 1 103 103 SER CA C 103 56.423 56.423 56.758 -0.335 19413 10005 1 12 . 1 1 103 103 SER CB C 103 66.834 66.834 65.715 1.119 19413 10006 1 12 . 1 1 103 103 SER H H 103 8.539 8.539 8.143 0.396 19413 10007 1 12 . 1 1 104 104 VAL N N 104 120.375 120.375 123.371 -2.996 19413 10008 1 12 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.613 0.127 19413 10009 1 12 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.170 -0.414 19413 10010 1 12 . 1 1 104 104 VAL CB C 104 30.929 30.929 30.971 -0.042 19413 10011 1 12 . 1 1 104 104 VAL H H 104 8.929 8.929 8.771 0.158 19413 10012 1 12 . 1 1 105 105 ALA N N 105 125.255 125.255 121.131 4.124 19413 10013 1 12 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.908 0.092 19413 10014 1 12 . 1 1 105 105 ALA CA C 105 54.906 54.906 55.002 -0.096 19413 10015 1 12 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.914 0.139 19413 10016 1 12 . 1 1 105 105 ALA H H 105 8.099 8.099 8.423 -0.324 19413 10017 1 12 . 1 1 106 106 ASP N N 106 118.317 118.317 117.918 0.399 19413 10018 1 12 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.561 -0.186 19413 10019 1 12 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.890 -0.226 19413 10020 1 12 . 1 1 106 106 ASP CB C 106 42.767 42.767 40.905 1.862 19413 10021 1 12 . 1 1 106 106 ASP H H 106 7.603 7.603 8.237 -0.634 19413 10022 1 12 . 1 1 107 107 ILE N N 107 120.210 120.210 120.219 -0.009 19413 10023 1 12 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.999 -0.668 19413 10024 1 12 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.529 1.080 19413 10025 1 12 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.192 -0.302 19413 10026 1 12 . 1 1 107 107 ILE H H 107 7.342 7.342 7.484 -0.142 19413 10027 1 12 . 1 1 108 108 ARG N N 108 119.234 119.234 119.148 0.086 19413 10028 1 12 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.215 -0.418 19413 10029 1 12 . 1 1 108 108 ARG CA C 108 58.656 58.656 57.958 0.698 19413 10030 1 12 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.223 1.619 19413 10031 1 12 . 1 1 108 108 ARG H H 108 6.677 6.677 8.144 -1.467 19413 10032 1 12 . 1 1 109 109 LYS N N 109 117.662 117.662 120.640 -2.978 19413 10033 1 12 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.032 -0.186 19413 10034 1 12 . 1 1 109 109 LYS CA C 109 59.219 59.219 58.994 0.225 19413 10035 1 12 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.420 0.554 19413 10036 1 12 . 1 1 109 109 LYS H H 109 7.164 7.164 7.468 -0.304 19413 10037 1 12 . 1 1 110 110 VAL N N 110 118.257 118.257 118.490 -0.233 19413 10038 1 12 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.711 -0.070 19413 10039 1 12 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.252 -0.190 19413 10040 1 12 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.052 0.172 19413 10041 1 12 . 1 1 110 110 VAL H H 110 7.269 7.269 7.529 -0.260 19413 10042 1 12 . 1 1 111 111 PHE N N 111 118.699 118.699 118.787 -0.088 19413 10043 1 12 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.131 -0.221 19413 10044 1 12 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.460 -0.980 19413 10045 1 12 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.308 0.115 19413 10046 1 12 . 1 1 111 111 PHE H H 111 7.411 7.411 7.814 -0.403 19413 10047 1 12 . 1 1 112 112 VAL N N 112 121.527 121.527 119.482 2.045 19413 10048 1 12 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.960 0.651 19413 10049 1 12 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.992 -1.273 19413 10050 1 12 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.595 -0.224 19413 10051 1 12 . 1 1 112 112 VAL H H 112 8.424 8.424 7.657 0.767 19413 10052 1 12 . 1 1 113 113 ASP N N 113 124.032 124.032 121.453 2.579 19413 10053 1 12 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.426 0.021 19413 10054 1 12 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.812 -0.134 19413 10055 1 12 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.692 -1.412 19413 10056 1 12 . 1 1 113 113 ASP H H 113 9.048 9.048 8.386 0.662 19413 10057 1 12 . 1 1 114 114 ALA N N 114 121.399 121.399 118.849 2.550 19413 10058 1 12 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.310 0.157 19413 10059 1 12 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.222 -0.344 19413 10060 1 12 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.275 -0.662 19413 10061 1 12 . 1 1 114 114 ALA H H 114 7.505 7.505 7.725 -0.220 19413 10062 1 12 . 1 1 115 115 GLY N N 115 105.755 105.755 106.409 -0.654 19413 10063 1 12 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.628 0.475 19413 10064 1 12 . 1 1 115 115 GLY H H 115 7.895 7.895 7.704 0.191 19413 10065 1 12 . 1 1 116 116 VAL N N 116 124.542 124.542 119.695 4.847 19413 10066 1 12 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.274 -0.254 19413 10067 1 12 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.640 0.961 19413 10068 1 12 . 1 1 116 116 VAL CB C 116 31.739 31.739 34.852 -3.112 19413 10069 1 12 . 1 1 116 116 VAL H H 116 8.095 8.095 7.472 0.623 19413 10070 1 12 . 1 1 117 117 LYS N N 117 128.363 128.363 126.959 1.404 19413 10071 1 12 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.337 -0.154 19413 10072 1 12 . 1 1 117 117 LYS CA C 117 57.085 57.085 56.781 0.304 19413 10073 1 12 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.916 -1.104 19413 10074 1 12 . 1 1 117 117 LYS H H 117 9.102 9.102 8.945 0.157 19413 10075 1 12 . 1 1 118 118 GLY N N 118 116.049 116.049 114.098 1.951 19413 10076 1 12 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.044 0.624 19413 10077 1 12 . 1 1 118 118 GLY H H 118 9.300 9.300 9.108 0.192 19413 10078 1 12 . 1 1 119 119 GLU N N 119 118.512 118.512 120.127 -1.615 19413 10079 1 12 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.115 0.111 19413 10080 1 12 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.905 0.618 19413 10081 1 12 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.246 -0.433 19413 10082 1 12 . 1 1 119 119 GLU H H 119 9.501 9.501 8.760 0.741 19413 10083 1 12 . 1 1 120 120 ASP N N 120 121.262 121.262 120.160 1.102 19413 10084 1 12 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.399 0.180 19413 10085 1 12 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.845 -0.286 19413 10086 1 12 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.107 -1.475 19413 10087 1 12 . 1 1 120 120 ASP H H 120 7.088 7.088 7.527 -0.439 19413 10088 1 12 . 1 1 121 121 TYR N N 121 123.619 123.619 119.600 4.019 19413 10089 1 12 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.111 -0.389 19413 10090 1 12 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.710 0.441 19413 10091 1 12 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.670 -0.668 19413 10092 1 12 . 1 1 121 121 TYR H H 121 7.986 7.986 7.717 0.269 19413 10093 1 12 . 1 1 122 122 ASP N N 122 119.702 119.702 118.214 1.488 19413 10094 1 12 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.593 -0.339 19413 10095 1 12 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.721 1.401 19413 10096 1 12 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.960 -1.349 19413 10097 1 12 . 1 1 122 122 ASP H H 122 8.812 8.812 8.033 0.779 19413 10098 1 12 . 1 1 123 123 ALA N N 123 121.138 121.138 121.853 -0.715 19413 10099 1 12 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.342 -0.116 19413 10100 1 12 . 1 1 123 123 ALA CA C 123 54.230 54.230 53.431 0.799 19413 10101 1 12 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.399 -1.274 19413 10102 1 12 . 1 1 123 123 ALA H H 123 7.696 7.696 7.464 0.232 19413 10103 1 12 . 1 1 124 124 ALA N N 124 120.299 120.299 122.735 -2.436 19413 10104 1 12 . 1 1 124 124 ALA HA H 124 4.106 4.106 3.989 0.117 19413 10105 1 12 . 1 1 124 124 ALA CA C 124 54.326 54.326 55.286 -0.960 19413 10106 1 12 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.163 0.403 19413 10107 1 12 . 1 1 124 124 ALA H H 124 7.935 7.935 8.461 -0.526 19413 10108 1 12 . 1 1 125 125 TRP N N 125 121.357 121.357 118.952 2.405 19413 10109 1 12 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.258 -0.782 19413 10110 1 12 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.066 1.397 19413 10111 1 12 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.391 -1.014 19413 10112 1 12 . 1 1 125 125 TRP H H 125 8.948 8.948 7.741 1.207 19413 10113 1 12 . 1 1 126 126 ASN N N 126 110.817 110.817 113.152 -2.335 19413 10114 1 12 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.724 0.119 19413 10115 1 12 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.623 -0.101 19413 10116 1 12 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.873 0.197 19413 10117 1 12 . 1 1 126 126 ASN H H 126 7.024 7.024 7.880 -0.856 19413 10118 1 12 . 1 1 127 127 SER N N 127 116.650 116.650 115.931 0.719 19413 10119 1 12 . 1 1 127 127 SER HA H 127 4.472 4.472 4.590 -0.118 19413 10120 1 12 . 1 1 127 127 SER CA C 127 58.535 58.535 57.144 1.391 19413 10121 1 12 . 1 1 127 127 SER CB C 127 65.513 65.513 64.688 0.825 19413 10122 1 12 . 1 1 127 127 SER H H 127 7.831 7.831 7.808 0.023 19413 10123 1 12 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.183 0.095 19413 10124 1 12 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.182 -0.127 19413 10125 1 12 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.168 -0.800 19413 10126 1 12 . 1 1 129 129 VAL N N 129 120.058 120.058 118.533 1.525 19413 10127 1 12 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.640 0.074 19413 10128 1 12 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.060 -0.388 19413 10129 1 12 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.458 0.320 19413 10130 1 12 . 1 1 129 129 VAL H H 129 8.340 8.340 7.865 0.475 19413 10131 1 12 . 1 1 130 130 VAL N N 130 122.552 122.552 118.942 3.610 19413 10132 1 12 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.518 -0.007 19413 10133 1 12 . 1 1 130 130 VAL CA C 130 66.834 66.834 65.930 0.905 19413 10134 1 12 . 1 1 130 130 VAL CB C 130 31.224 31.224 30.852 0.372 19413 10135 1 12 . 1 1 130 130 VAL H H 130 7.163 7.163 7.611 -0.448 19413 10136 1 12 . 1 1 131 131 LYS N N 131 122.079 122.079 119.589 2.490 19413 10137 1 12 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.707 0.049 19413 10138 1 12 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.999 -0.265 19413 10139 1 12 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.597 -0.079 19413 10140 1 12 . 1 1 131 131 LYS H H 131 7.852 7.852 7.545 0.307 19413 10141 1 12 . 1 1 132 132 SER N N 132 115.836 115.836 114.854 0.982 19413 10142 1 12 . 1 1 132 132 SER HA H 132 4.155 4.155 4.032 0.123 19413 10143 1 12 . 1 1 132 132 SER CA C 132 61.022 61.022 61.554 -0.532 19413 10144 1 12 . 1 1 132 132 SER CB C 132 62.309 62.309 62.963 -0.654 19413 10145 1 12 . 1 1 132 132 SER H H 132 8.258 8.258 8.056 0.202 19413 10146 1 12 . 1 1 133 133 LEU N N 133 124.754 124.754 123.089 1.665 19413 10147 1 12 . 1 1 133 133 LEU HA H 133 4.197 4.197 4.131 0.066 19413 10148 1 12 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.713 -0.149 19413 10149 1 12 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.057 2.104 19413 10150 1 12 . 1 1 133 133 LEU H H 133 8.140 8.140 7.490 0.650 19413 10151 1 12 . 1 1 134 134 VAL N N 134 123.461 123.461 119.057 4.404 19413 10152 1 12 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.534 -0.253 19413 10153 1 12 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.301 2.556 19413 10154 1 12 . 1 1 134 134 VAL CB C 134 30.856 30.856 30.719 0.137 19413 10155 1 12 . 1 1 134 134 VAL H H 134 8.718 8.718 8.535 0.183 19413 10156 1 12 . 1 1 135 135 ALA N N 135 121.739 121.739 119.888 1.851 19413 10157 1 12 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.929 0.235 19413 10158 1 12 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.218 -0.289 19413 10159 1 12 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.121 -0.695 19413 10160 1 12 . 1 1 135 135 ALA H H 135 7.513 7.513 7.694 -0.181 19413 10161 1 12 . 1 1 136 136 GLN N N 136 119.033 119.033 118.640 0.393 19413 10162 1 12 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.950 0.126 19413 10163 1 12 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.239 -0.130 19413 10164 1 12 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.526 0.559 19413 10165 1 12 . 1 1 136 136 GLN H H 136 8.473 8.473 7.761 0.712 19413 10166 1 12 . 1 1 137 137 GLN N N 137 119.734 119.734 118.557 1.177 19413 10167 1 12 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.020 -0.508 19413 10168 1 12 . 1 1 137 137 GLN CA C 137 59.882 59.882 59.364 0.518 19413 10169 1 12 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.381 2.462 19413 10170 1 12 . 1 1 137 137 GLN H H 137 7.995 7.995 7.837 0.158 19413 10171 1 12 . 1 1 138 138 GLU N N 138 121.309 121.309 118.991 2.318 19413 10172 1 12 . 1 1 138 138 GLU HA H 138 3.935 3.935 3.976 -0.041 19413 10173 1 12 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.739 -0.762 19413 10174 1 12 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.338 -0.373 19413 10175 1 12 . 1 1 138 138 GLU H H 138 8.291 8.291 8.568 -0.277 19413 10176 1 12 . 1 1 139 139 LYS N N 139 122.121 122.121 120.271 1.850 19413 10177 1 12 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.023 0.094 19413 10178 1 12 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.537 -0.613 19413 10179 1 12 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.443 0.149 19413 10180 1 12 . 1 1 139 139 LYS H H 139 8.603 8.603 8.141 0.462 19413 10181 1 12 . 1 1 140 140 ALA N N 140 120.286 120.286 118.761 1.525 19413 10182 1 12 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.426 -0.016 19413 10183 1 12 . 1 1 140 140 ALA CA C 140 55.063 55.063 53.479 1.584 19413 10184 1 12 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.408 0.038 19413 10185 1 12 . 1 1 140 140 ALA H H 140 8.140 8.140 7.978 0.162 19413 10186 1 12 . 1 1 141 141 ALA N N 141 116.994 116.994 121.380 -4.386 19413 10187 1 12 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.235 -0.587 19413 10188 1 12 . 1 1 141 141 ALA CA C 141 54.515 54.515 54.130 0.385 19413 10189 1 12 . 1 1 141 141 ALA CB C 141 18.001 18.001 19.242 -1.241 19413 10190 1 12 . 1 1 141 141 ALA H H 141 7.251 7.251 7.580 -0.329 19413 10191 1 12 . 1 1 142 142 ALA N N 142 121.272 121.272 120.576 0.696 19413 10192 1 12 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.117 0.067 19413 10193 1 12 . 1 1 142 142 ALA CA C 142 54.657 54.657 54.238 0.419 19413 10194 1 12 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.484 -0.267 19413 10195 1 12 . 1 1 142 142 ALA H H 142 7.940 7.940 8.336 -0.396 19413 10196 1 12 . 1 1 143 143 ASP N N 143 121.599 121.599 118.743 2.856 19413 10197 1 12 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.597 -0.261 19413 10198 1 12 . 1 1 143 143 ASP CA C 143 56.975 56.975 54.633 2.342 19413 10199 1 12 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.160 -1.125 19413 10200 1 12 . 1 1 143 143 ASP H H 143 9.272 9.272 8.162 1.110 19413 10201 1 12 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.024 0.087 19413 10202 1 12 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.493 -0.946 19413 10203 1 12 . 1 1 144 144 LEU CB C 144 41.055 41.055 38.827 2.228 19413 10204 1 12 . 1 1 145 145 GLN N N 145 116.940 116.940 117.095 -0.155 19413 10205 1 12 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.348 -0.596 19413 10206 1 12 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.525 -0.702 19413 10207 1 12 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.942 -2.810 19413 10208 1 12 . 1 1 145 145 GLN H H 145 7.750 7.750 8.114 -0.364 19413 10209 1 12 . 1 1 146 146 LEU N N 146 119.399 119.399 122.978 -3.579 19413 10210 1 12 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.416 -0.530 19413 10211 1 12 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.172 1.141 19413 10212 1 12 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.621 0.521 19413 10213 1 12 . 1 1 146 146 LEU H H 146 7.516 7.516 8.035 -0.519 19413 10214 1 12 . 1 1 147 147 GLN N N 147 123.118 123.118 116.195 6.923 19413 10215 1 12 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.761 0.386 19413 10216 1 12 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.269 -1.402 19413 10217 1 12 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.510 3.015 19413 10218 1 12 . 1 1 147 147 GLN H H 147 8.895 8.895 8.460 0.435 19413 10219 1 12 . 1 1 148 148 GLY N N 148 106.555 106.555 104.225 2.330 19413 10220 1 12 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.706 0.398 19413 10221 1 12 . 1 1 148 148 GLY H H 148 7.275 7.275 7.712 -0.437 19413 10222 1 12 . 1 1 149 149 VAL N N 149 110.030 110.030 115.608 -5.578 19413 10223 1 12 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.484 -0.013 19413 10224 1 12 . 1 1 149 149 VAL CA C 149 57.637 57.637 59.012 -1.375 19413 10225 1 12 . 1 1 149 149 VAL CB C 149 34.682 34.682 33.102 1.580 19413 10226 1 12 . 1 1 149 149 VAL H H 149 8.267 8.267 8.036 0.231 19413 10227 1 12 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.681 0.129 19413 10228 1 12 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.640 -0.496 19413 10229 1 12 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.335 2.591 19413 10230 1 12 . 1 1 151 151 ALA N N 151 123.567 123.567 123.037 0.530 19413 10231 1 12 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.690 0.195 19413 10232 1 12 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.855 -0.230 19413 10233 1 12 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.616 2.231 19413 10234 1 12 . 1 1 151 151 ALA H H 151 8.249 8.249 9.062 -0.813 19413 10235 1 12 . 1 1 152 152 MET N N 152 121.866 121.866 121.824 0.042 19413 10236 1 12 . 1 1 152 152 MET HA H 152 5.724 5.724 4.809 0.915 19413 10237 1 12 . 1 1 152 152 MET CA C 152 55.487 55.487 55.346 0.141 19413 10238 1 12 . 1 1 152 152 MET CB C 152 36.830 36.830 34.623 2.207 19413 10239 1 12 . 1 1 152 152 MET H H 152 8.610 8.610 8.332 0.278 19413 10240 1 12 . 1 1 153 153 TYR N N 153 124.782 124.782 123.543 1.239 19413 10241 1 12 . 1 1 153 153 TYR HA H 153 5.754 5.754 4.978 0.776 19413 10242 1 12 . 1 1 153 153 TYR CA C 153 56.208 56.208 58.529 -2.321 19413 10243 1 12 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.982 3.008 19413 10244 1 12 . 1 1 153 153 TYR H H 153 9.685 9.685 8.309 1.376 19413 10245 1 12 . 1 1 154 154 VAL N N 154 121.914 121.914 116.187 5.727 19413 10246 1 12 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.393 -0.733 19413 10247 1 12 . 1 1 154 154 VAL H H 154 9.441 9.441 8.720 0.721 19413 10248 1 12 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.377 0.362 19413 10249 1 12 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.584 -0.111 19413 10250 1 12 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.540 -1.386 19413 10251 1 12 . 1 1 156 156 GLY N N 156 106.059 106.059 102.397 3.662 19413 10252 1 12 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.733 0.453 19413 10253 1 12 . 1 1 156 156 GLY H H 156 9.354 9.354 8.550 0.804 19413 10254 1 12 . 1 1 157 157 LYS N N 157 114.357 114.357 116.010 -1.653 19413 10255 1 12 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.446 0.106 19413 10256 1 12 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.031 0.724 19413 10257 1 12 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.615 2.173 19413 10258 1 12 . 1 1 157 157 LYS H H 157 7.877 7.877 8.053 -0.176 19413 10259 1 12 . 1 1 158 158 TYR N N 158 117.900 117.900 119.685 -1.785 19413 10260 1 12 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.392 0.472 19413 10261 1 12 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.926 -1.070 19413 10262 1 12 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.285 0.594 19413 10263 1 12 . 1 1 158 158 TYR H H 158 7.876 7.876 8.265 -0.389 19413 10264 1 12 . 1 1 159 159 GLN N N 159 125.094 125.094 118.344 6.750 19413 10265 1 12 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.801 -0.048 19413 10266 1 12 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.237 -0.831 19413 10267 1 12 . 1 1 159 159 GLN CB C 159 31.849 31.849 31.515 0.335 19413 10268 1 12 . 1 1 159 159 GLN H H 159 9.701 9.701 9.177 0.524 19413 10269 1 12 . 1 1 160 160 LEU N N 160 131.941 131.941 124.183 7.758 19413 10270 1 12 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.155 -0.144 19413 10271 1 12 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.548 -1.553 19413 10272 1 12 . 1 1 160 160 LEU CB C 160 40.075 40.075 42.057 -1.982 19413 10273 1 12 . 1 1 160 160 LEU H H 160 8.551 8.551 8.055 0.496 19413 10274 1 12 . 1 1 161 161 ASN N N 161 118.639 118.639 120.255 -1.616 19413 10275 1 12 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.237 0.259 19413 10276 1 12 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.222 -0.453 19413 10277 1 12 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.354 -0.443 19413 10278 1 12 . 1 1 161 161 ASN H H 161 8.285 8.285 8.401 -0.116 19413 10279 1 12 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.781 0.008 19413 10280 1 12 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.165 -0.391 19413 10281 1 12 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.592 -0.414 19413 10282 1 12 . 1 1 163 163 GLN N N 163 116.006 116.006 116.269 -0.263 19413 10283 1 12 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.331 -0.105 19413 10284 1 12 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.137 0.829 19413 10285 1 12 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.719 -0.743 19413 10286 1 12 . 1 1 163 163 GLN H H 163 8.086 8.086 8.138 -0.052 19413 10287 1 12 . 1 1 164 164 GLY N N 164 107.393 107.393 106.833 0.560 19413 10288 1 12 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.561 0.042 19413 10289 1 12 . 1 1 164 164 GLY H H 164 8.030 8.030 7.650 0.380 19413 10290 1 12 . 1 1 165 165 MET N N 165 119.802 119.802 118.157 1.645 19413 10291 1 12 . 1 1 165 165 MET HA H 165 4.636 4.636 4.828 -0.192 19413 10292 1 12 . 1 1 165 165 MET CA C 165 54.567 54.567 54.578 -0.011 19413 10293 1 12 . 1 1 165 165 MET CB C 165 34.464 34.464 37.386 -2.922 19413 10294 1 12 . 1 1 165 165 MET H H 165 7.451 7.451 7.639 -0.188 19413 10295 1 12 . 1 1 166 166 ASP N N 166 121.681 121.681 121.752 -0.071 19413 10296 1 12 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.812 -0.179 19413 10297 1 12 . 1 1 166 166 ASP CA C 166 54.181 54.181 53.529 0.652 19413 10298 1 12 . 1 1 166 166 ASP CB C 166 40.653 40.653 39.876 0.777 19413 10299 1 12 . 1 1 166 166 ASP H H 166 8.694 8.694 9.122 -0.428 19413 10300 1 12 . 1 1 167 167 THR N N 167 112.609 112.609 114.055 -1.446 19413 10301 1 12 . 1 1 167 167 THR HA H 167 4.224 4.224 4.130 0.094 19413 10302 1 12 . 1 1 167 167 THR CA C 167 60.340 60.340 63.690 -3.350 19413 10303 1 12 . 1 1 167 167 THR CB C 167 68.416 68.416 68.415 0.001 19413 10304 1 12 . 1 1 167 167 THR H H 167 7.860 7.860 8.377 -0.517 19413 10305 1 12 . 1 1 168 168 SER N N 168 118.936 118.936 116.076 2.860 19413 10306 1 12 . 1 1 168 168 SER HA H 168 4.158 4.158 4.491 -0.333 19413 10307 1 12 . 1 1 168 168 SER CA C 168 60.874 60.874 59.528 1.346 19413 10308 1 12 . 1 1 168 168 SER CB C 168 63.123 63.123 63.690 -0.567 19413 10309 1 12 . 1 1 168 168 SER H H 168 8.739 8.739 8.039 0.700 19413 10310 1 12 . 1 1 169 169 ASN N N 169 117.875 117.875 117.745 0.130 19413 10311 1 12 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.955 -0.182 19413 10312 1 12 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.186 -0.838 19413 10313 1 12 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.336 0.356 19413 10314 1 12 . 1 1 169 169 ASN H H 169 7.341 7.341 7.685 -0.344 19413 10315 1 12 . 1 1 170 170 MET N N 170 123.431 123.431 117.017 6.414 19413 10316 1 12 . 1 1 170 170 MET HA H 170 4.600 4.600 3.995 0.605 19413 10317 1 12 . 1 1 170 170 MET CA C 170 57.233 57.233 58.776 -1.543 19413 10318 1 12 . 1 1 170 170 MET CB C 170 32.751 32.751 30.078 2.674 19413 10319 1 12 . 1 1 170 170 MET H H 170 9.186 9.186 8.426 0.760 19413 10320 1 12 . 1 1 171 171 ASP N N 171 120.825 120.825 119.764 1.061 19413 10321 1 12 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.481 0.012 19413 10322 1 12 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.951 -0.445 19413 10323 1 12 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.206 -1.418 19413 10324 1 12 . 1 1 171 171 ASP H H 171 8.232 8.232 8.250 -0.018 19413 10325 1 12 . 1 1 172 172 VAL N N 172 122.666 122.666 119.040 3.626 19413 10326 1 12 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.756 0.022 19413 10327 1 12 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.473 0.066 19413 10328 1 12 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.737 0.118 19413 10329 1 12 . 1 1 172 172 VAL H H 172 7.872 7.872 7.805 0.067 19413 10330 1 12 . 1 1 173 173 PHE N N 173 121.872 121.872 121.082 0.790 19413 10331 1 12 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.140 0.240 19413 10332 1 12 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.557 -0.093 19413 10333 1 12 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.728 0.546 19413 10334 1 12 . 1 1 173 173 PHE H H 173 8.250 8.250 7.772 0.478 19413 10335 1 12 . 1 1 174 174 VAL N N 174 117.535 117.535 119.067 -1.532 19413 10336 1 12 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.147 -0.104 19413 10337 1 12 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.761 1.142 19413 10338 1 12 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.375 0.996 19413 10339 1 12 . 1 1 174 174 VAL H H 174 8.138 8.138 8.150 -0.012 19413 10340 1 12 . 1 1 175 175 ALA N N 175 121.129 121.129 122.308 -1.179 19413 10341 1 12 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.862 0.264 19413 10342 1 12 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.206 -0.438 19413 10343 1 12 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.335 -0.320 19413 10344 1 12 . 1 1 175 175 ALA H H 175 7.396 7.396 8.355 -0.959 19413 10345 1 12 . 1 1 176 176 GLN N N 176 120.043 120.043 117.322 2.721 19413 10346 1 12 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.023 0.056 19413 10347 1 12 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.236 0.726 19413 10348 1 12 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.031 -0.982 19413 10349 1 12 . 1 1 176 176 GLN H H 176 8.721 8.721 7.490 1.231 19413 10350 1 12 . 1 1 177 177 TYR N N 177 127.981 127.981 122.947 5.034 19413 10351 1 12 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.926 -0.335 19413 10352 1 12 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.509 0.053 19413 10353 1 12 . 1 1 177 177 TYR CB C 177 37.978 37.978 37.888 0.090 19413 10354 1 12 . 1 1 177 177 TYR H H 177 9.002 9.002 8.421 0.581 19413 10355 1 12 . 1 1 178 178 ALA N N 178 119.796 119.796 118.964 0.832 19413 10356 1 12 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.884 0.146 19413 10357 1 12 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.333 0.072 19413 10358 1 12 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.067 -0.097 19413 10359 1 12 . 1 1 178 178 ALA H H 178 8.392 8.392 8.229 0.163 19413 10360 1 12 . 1 1 179 179 ASP N N 179 117.823 117.823 117.533 0.290 19413 10361 1 12 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.364 0.055 19413 10362 1 12 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.495 -0.199 19413 10363 1 12 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.937 0.866 19413 10364 1 12 . 1 1 179 179 ASP H H 179 8.379 8.379 7.504 0.875 19413 10365 1 12 . 1 1 180 180 THR N N 180 117.846 117.846 116.285 1.561 19413 10366 1 12 . 1 1 180 180 THR HA H 180 4.179 4.179 4.120 0.059 19413 10367 1 12 . 1 1 180 180 THR CA C 180 67.378 67.378 64.849 2.529 19413 10368 1 12 . 1 1 180 180 THR CB C 180 67.733 67.733 68.388 -0.654 19413 10369 1 12 . 1 1 180 180 THR H H 180 8.255 8.255 8.022 0.233 19413 10370 1 12 . 1 1 181 181 VAL N N 181 120.101 120.101 120.979 -0.878 19413 10371 1 12 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.352 -0.171 19413 10372 1 12 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.965 0.815 19413 10373 1 12 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.269 -0.338 19413 10374 1 12 . 1 1 181 181 VAL H H 181 7.772 7.772 7.827 -0.055 19413 10375 1 12 . 1 1 182 182 LYS N N 182 119.144 119.144 119.000 0.144 19413 10376 1 12 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.895 -0.265 19413 10377 1 12 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.165 1.196 19413 10378 1 12 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.009 0.271 19413 10379 1 12 . 1 1 182 182 LYS H H 182 7.758 7.758 7.616 0.142 19413 10380 1 12 . 1 1 183 183 GLN N N 183 116.269 116.269 117.614 -1.345 19413 10381 1 12 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.969 0.016 19413 10382 1 12 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.405 0.878 19413 10383 1 12 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.583 0.740 19413 10384 1 12 . 1 1 183 183 GLN H H 183 8.114 8.114 8.197 -0.083 19413 10385 1 12 . 1 1 184 184 LEU N N 184 119.688 119.688 117.259 2.429 19413 10386 1 12 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.818 -0.183 19413 10387 1 12 . 1 1 184 184 LEU CA C 184 57.041 57.041 55.910 1.131 19413 10388 1 12 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.843 0.217 19413 10389 1 12 . 1 1 184 184 LEU H H 184 8.000 8.000 7.224 0.776 19413 10390 1 12 . 1 1 185 185 VAL N N 185 121.017 121.017 116.842 4.175 19413 10391 1 12 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.746 -0.234 19413 10392 1 12 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.683 0.059 19413 10393 1 12 . 1 1 185 185 VAL CB C 185 31.564 31.564 32.073 -0.509 19413 10394 1 12 . 1 1 185 185 VAL H H 185 8.494 8.494 7.332 1.162 19413 10395 1 12 . 1 1 186 186 GLU N N 186 117.535 117.535 115.272 2.263 19413 10396 1 12 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.269 -0.149 19413 10397 1 12 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.788 0.371 19413 10398 1 12 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.688 0.101 19413 10399 1 12 . 1 1 186 186 GLU H H 186 7.541 7.541 7.698 -0.157 19413 10400 1 12 . 1 1 187 187 LYS N N 187 121.929 121.929 121.725 0.204 19413 10401 1 12 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.444 -0.318 19413 10402 1 12 . 1 1 187 187 LYS CA C 187 57.748 57.748 54.898 2.850 19413 10403 1 12 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.247 1.471 19413 10404 1 12 . 1 1 187 187 LYS H H 187 7.358 7.358 7.481 -0.123 19413 10405 1 13 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.504 0.267 19413 10406 1 13 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.593 -0.305 19413 10407 1 13 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.587 0.334 19413 10408 1 13 . 1 1 1 1 ALA N N 1 125.275 125.275 120.342 4.933 19413 10409 1 13 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.962 0.357 19413 10410 1 13 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.575 -1.542 19413 10411 1 13 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.607 1.517 19413 10412 1 13 . 1 1 1 1 ALA H H 1 8.441 8.441 8.923 -0.482 19413 10413 1 13 . 1 1 2 2 GLN N N 2 121.120 121.120 117.186 3.934 19413 10414 1 13 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.533 -0.054 19413 10415 1 13 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.253 0.160 19413 10416 1 13 . 1 1 2 2 GLN CB C 2 29.494 29.494 30.987 -1.493 19413 10417 1 13 . 1 1 2 2 GLN H H 2 8.334 8.334 7.972 0.362 19413 10418 1 13 . 1 1 3 3 ILE N N 3 120.380 120.380 120.647 -0.267 19413 10419 1 13 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.810 -0.399 19413 10420 1 13 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.033 1.760 19413 10421 1 13 . 1 1 3 3 ILE CB C 3 39.691 39.691 39.862 -0.171 19413 10422 1 13 . 1 1 3 3 ILE H H 3 8.197 8.197 8.307 -0.110 19413 10423 1 13 . 1 1 4 4 THR N N 4 120.223 120.223 116.852 3.371 19413 10424 1 13 . 1 1 4 4 THR HA H 4 4.566 4.566 4.682 -0.116 19413 10425 1 13 . 1 1 4 4 THR CA C 4 61.500 61.500 61.460 0.040 19413 10426 1 13 . 1 1 4 4 THR CB C 4 71.727 71.727 72.140 -0.413 19413 10427 1 13 . 1 1 4 4 THR H H 4 9.119 9.119 8.825 0.294 19413 10428 1 13 . 1 1 5 5 ASP N N 5 128.193 128.193 124.354 3.839 19413 10429 1 13 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.095 0.051 19413 10430 1 13 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.855 0.494 19413 10431 1 13 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.232 0.769 19413 10432 1 13 . 1 1 5 5 ASP H H 5 8.510 8.510 8.687 -0.177 19413 10433 1 13 . 1 1 6 6 GLY N N 6 117.400 117.400 112.819 4.581 19413 10434 1 13 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.812 -0.830 19413 10435 1 13 . 1 1 6 6 GLY H H 6 8.608 8.608 8.370 0.238 19413 10436 1 13 . 1 1 7 7 LYS N N 7 122.122 122.122 121.238 0.884 19413 10437 1 13 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.346 0.256 19413 10438 1 13 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.272 -0.608 19413 10439 1 13 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.116 -1.353 19413 10440 1 13 . 1 1 7 7 LYS H H 7 8.131 8.131 7.475 0.656 19413 10441 1 13 . 1 1 8 8 GLN N N 8 115.920 115.920 115.396 0.524 19413 10442 1 13 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.655 -0.526 19413 10443 1 13 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.141 1.926 19413 10444 1 13 . 1 1 8 8 GLN CB C 8 27.086 27.086 29.617 -2.531 19413 10445 1 13 . 1 1 8 8 GLN H H 8 8.548 8.548 7.975 0.573 19413 10446 1 13 . 1 1 9 9 TYR N N 9 112.118 112.118 114.437 -2.319 19413 10447 1 13 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.516 -0.398 19413 10448 1 13 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.732 -0.994 19413 10449 1 13 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.364 -0.187 19413 10450 1 13 . 1 1 9 9 TYR H H 9 7.572 7.572 7.340 0.232 19413 10451 1 13 . 1 1 10 10 ILE N N 10 119.488 119.488 118.786 0.702 19413 10452 1 13 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.416 0.165 19413 10453 1 13 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.458 0.540 19413 10454 1 13 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.035 0.968 19413 10455 1 13 . 1 1 10 10 ILE H H 10 9.365 9.365 9.079 0.286 19413 10456 1 13 . 1 1 11 11 THR N N 11 126.054 126.054 118.526 7.528 19413 10457 1 13 . 1 1 11 11 THR HA H 11 4.837 4.837 5.326 -0.489 19413 10458 1 13 . 1 1 11 11 THR CA C 11 63.376 63.376 61.412 1.964 19413 10459 1 13 . 1 1 11 11 THR CB C 11 68.487 68.487 69.861 -1.374 19413 10460 1 13 . 1 1 11 11 THR H H 11 9.153 9.153 8.252 0.901 19413 10461 1 13 . 1 1 12 12 LEU N N 12 129.370 129.370 126.476 2.894 19413 10462 1 13 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.368 -0.119 19413 10463 1 13 . 1 1 12 12 LEU CA C 12 55.286 55.286 55.057 0.229 19413 10464 1 13 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.471 -0.965 19413 10465 1 13 . 1 1 12 12 LEU H H 12 8.636 8.636 8.633 0.003 19413 10466 1 13 . 1 1 13 13 ASP N N 13 122.179 122.179 119.671 2.508 19413 10467 1 13 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.550 -0.112 19413 10468 1 13 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.541 0.183 19413 10469 1 13 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.331 -0.447 19413 10470 1 13 . 1 1 13 13 ASP H H 13 8.494 8.494 8.309 0.185 19413 10471 1 13 . 1 1 14 14 LYS N N 14 119.361 119.361 119.948 -0.587 19413 10472 1 13 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.675 0.087 19413 10473 1 13 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.911 -1.424 19413 10474 1 13 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.955 -1.052 19413 10475 1 13 . 1 1 14 14 LYS H H 14 7.714 7.714 8.072 -0.358 19413 10476 1 13 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.435 0.168 19413 10477 1 13 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.908 -0.647 19413 10478 1 13 . 1 1 15 15 PRO CB C 15 32.697 32.697 31.538 1.159 19413 10479 1 13 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.320 0.042 19413 10480 1 13 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.561 -1.985 19413 10481 1 13 . 1 1 16 16 ILE CB C 16 38.242 38.242 41.463 -3.221 19413 10482 1 13 . 1 1 17 17 ALA N N 17 130.287 130.287 128.676 1.611 19413 10483 1 13 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.211 0.137 19413 10484 1 13 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.080 -0.429 19413 10485 1 13 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.842 0.502 19413 10486 1 13 . 1 1 17 17 ALA H H 17 8.396 8.396 8.392 0.004 19413 10487 1 13 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.774 0.444 19413 10488 1 13 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.286 0.115 19413 10489 1 13 . 1 1 20 20 PRO CA C 20 63.392 63.392 63.769 -0.377 19413 10490 1 13 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.215 -0.537 19413 10491 1 13 . 1 1 23 23 LEU HA H 23 5.038 5.038 5.120 -0.082 19413 10492 1 13 . 1 1 23 23 LEU CA C 23 52.966 52.966 53.182 -0.216 19413 10493 1 13 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.594 -0.482 19413 10494 1 13 . 1 1 24 24 GLU N N 24 127.720 127.720 118.577 9.143 19413 10495 1 13 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.198 0.407 19413 10496 1 13 . 1 1 24 24 GLU CA C 24 53.438 53.438 53.933 -0.495 19413 10497 1 13 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.779 0.925 19413 10498 1 13 . 1 1 24 24 GLU H H 24 8.973 8.973 8.290 0.683 19413 10499 1 13 . 1 1 25 25 PHE N N 25 121.108 121.108 117.738 3.370 19413 10500 1 13 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.843 0.223 19413 10501 1 13 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.084 -1.139 19413 10502 1 13 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.830 0.176 19413 10503 1 13 . 1 1 25 25 PHE H H 25 9.266 9.266 8.415 0.851 19413 10504 1 13 . 1 1 26 26 PHE N N 26 120.125 120.125 116.072 4.053 19413 10505 1 13 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.012 -0.231 19413 10506 1 13 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.369 -1.531 19413 10507 1 13 . 1 1 26 26 PHE CB C 26 43.604 43.604 40.574 3.030 19413 10508 1 13 . 1 1 26 26 PHE H H 26 8.957 8.957 8.562 0.395 19413 10509 1 13 . 1 1 27 27 SER N N 27 109.643 109.643 113.573 -3.930 19413 10510 1 13 . 1 1 27 27 SER HA H 27 3.584 3.584 3.855 -0.271 19413 10511 1 13 . 1 1 27 27 SER CA C 27 54.556 54.556 54.976 -0.420 19413 10512 1 13 . 1 1 27 27 SER CB C 27 64.711 64.711 64.733 -0.022 19413 10513 1 13 . 1 1 27 27 SER H H 27 6.543 6.543 7.744 -1.201 19413 10514 1 13 . 1 1 28 28 PHE N N 28 132.096 132.096 118.947 13.149 19413 10515 1 13 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.346 0.021 19413 10516 1 13 . 1 1 28 28 PHE CA C 28 62.530 62.530 59.259 3.271 19413 10517 1 13 . 1 1 28 28 PHE CB C 28 38.643 38.643 39.512 -0.869 19413 10518 1 13 . 1 1 28 28 PHE H H 28 11.199 11.199 8.773 2.426 19413 10519 1 13 . 1 1 29 29 TYR N N 29 115.582 115.582 116.648 -1.066 19413 10520 1 13 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.559 -0.190 19413 10521 1 13 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.506 1.339 19413 10522 1 13 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.559 1.222 19413 10523 1 13 . 1 1 29 29 TYR H H 29 8.619 8.619 8.223 0.396 19413 10524 1 13 . 1 1 30 30 CYS N N 30 121.025 121.025 117.705 3.320 19413 10525 1 13 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.706 0.300 19413 10526 1 13 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.713 -3.254 19413 10527 1 13 . 1 1 30 30 CYS CB C 30 46.378 46.378 26.608 19.770 19413 10528 1 13 . 1 1 30 30 CYS H H 30 7.284 7.284 7.857 -0.573 19413 10529 1 13 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.618 0.459 19413 10530 1 13 . 1 1 31 31 PRO CA C 31 65.973 65.973 63.383 2.590 19413 10531 1 13 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.558 -0.350 19413 10532 1 13 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.102 0.502 19413 10533 1 13 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.608 -1.161 19413 10534 1 13 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.017 2.037 19413 10535 1 13 . 1 1 33 33 CYS N N 33 117.365 117.365 119.779 -2.414 19413 10536 1 13 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.314 0.225 19413 10537 1 13 . 1 1 33 33 CYS CA C 33 63.192 63.192 63.557 -0.365 19413 10538 1 13 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.308 7.535 19413 10539 1 13 . 1 1 33 33 CYS H H 33 8.921 8.921 8.308 0.613 19413 10540 1 13 . 1 1 34 34 TYR N N 34 123.491 123.491 120.519 2.972 19413 10541 1 13 . 1 1 34 34 TYR HA H 34 2.762 2.762 2.875 -0.113 19413 10542 1 13 . 1 1 34 34 TYR CA C 34 60.433 60.433 61.558 -1.125 19413 10543 1 13 . 1 1 34 34 TYR CB C 34 37.485 37.485 37.207 0.278 19413 10544 1 13 . 1 1 34 34 TYR H H 34 7.650 7.650 8.361 -0.711 19413 10545 1 13 . 1 1 35 35 GLN N N 35 118.639 118.639 116.165 2.474 19413 10546 1 13 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.716 -0.004 19413 10547 1 13 . 1 1 35 35 GLN CA C 35 58.410 58.410 59.036 -0.626 19413 10548 1 13 . 1 1 35 35 GLN CB C 35 27.933 27.933 27.776 0.157 19413 10549 1 13 . 1 1 35 35 GLN H H 35 7.641 7.641 8.488 -0.847 19413 10550 1 13 . 1 1 36 36 PHE N N 36 121.254 121.254 117.927 3.327 19413 10551 1 13 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.064 -0.034 19413 10552 1 13 . 1 1 36 36 PHE CA C 36 60.801 60.801 61.394 -0.593 19413 10553 1 13 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.711 0.208 19413 10554 1 13 . 1 1 36 36 PHE H H 36 8.721 8.721 8.342 0.379 19413 10555 1 13 . 1 1 37 37 GLU N N 37 116.279 116.279 116.675 -0.396 19413 10556 1 13 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.220 0.107 19413 10557 1 13 . 1 1 37 37 GLU CA C 37 57.784 57.784 57.475 0.309 19413 10558 1 13 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.634 0.222 19413 10559 1 13 . 1 1 37 37 GLU H H 37 7.705 7.705 7.645 0.060 19413 10560 1 13 . 1 1 38 38 GLU N N 38 112.285 112.285 117.721 -5.436 19413 10561 1 13 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.933 0.073 19413 10562 1 13 . 1 1 38 38 GLU CA C 38 55.578 55.578 57.466 -1.888 19413 10563 1 13 . 1 1 38 38 GLU CB C 38 29.783 29.783 30.763 -0.980 19413 10564 1 13 . 1 1 38 38 GLU H H 38 7.870 7.870 8.116 -0.246 19413 10565 1 13 . 1 1 39 39 VAL N N 39 117.365 117.365 117.263 0.102 19413 10566 1 13 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.076 -0.068 19413 10567 1 13 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.550 0.415 19413 10568 1 13 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.313 -0.953 19413 10569 1 13 . 1 1 39 39 VAL H H 39 6.850 6.850 7.258 -0.408 19413 10570 1 13 . 1 1 40 40 LEU N N 40 116.098 116.098 117.320 -1.222 19413 10571 1 13 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.119 -0.026 19413 10572 1 13 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.802 -0.703 19413 10573 1 13 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.043 1.070 19413 10574 1 13 . 1 1 40 40 LEU H H 40 8.171 8.171 7.977 0.194 19413 10575 1 13 . 1 1 41 41 HIS N N 41 111.930 111.930 113.989 -2.059 19413 10576 1 13 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.297 0.209 19413 10577 1 13 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.383 -1.917 19413 10578 1 13 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.849 -1.246 19413 10579 1 13 . 1 1 41 41 HIS H H 41 6.459 6.459 7.577 -1.119 19413 10580 1 13 . 1 1 42 42 VAL N N 42 120.465 120.465 120.074 0.391 19413 10581 1 13 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.583 -0.555 19413 10582 1 13 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.652 1.320 19413 10583 1 13 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.545 -0.659 19413 10584 1 13 . 1 1 42 42 VAL H H 42 8.621 8.621 8.470 0.151 19413 10585 1 13 . 1 1 43 43 SER N N 43 113.968 113.968 116.401 -2.433 19413 10586 1 13 . 1 1 43 43 SER HA H 43 4.002 4.002 3.927 0.075 19413 10587 1 13 . 1 1 43 43 SER CA C 43 61.242 61.242 62.389 -1.147 19413 10588 1 13 . 1 1 43 43 SER CB C 43 62.565 62.565 62.891 -0.326 19413 10589 1 13 . 1 1 43 43 SER H H 43 8.040 8.040 7.796 0.244 19413 10590 1 13 . 1 1 44 44 ASP N N 44 121.731 121.731 120.238 1.493 19413 10591 1 13 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.449 -0.035 19413 10592 1 13 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.793 -0.561 19413 10593 1 13 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.665 0.367 19413 10594 1 13 . 1 1 44 44 ASP H H 44 8.215 8.215 8.789 -0.574 19413 10595 1 13 . 1 1 45 45 ASN N N 45 118.906 118.906 118.763 0.143 19413 10596 1 13 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.497 -0.225 19413 10597 1 13 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.174 1.148 19413 10598 1 13 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.984 0.643 19413 10599 1 13 . 1 1 45 45 ASN H H 45 7.860 7.860 7.923 -0.063 19413 10600 1 13 . 1 1 46 46 VAL N N 46 119.934 119.934 121.189 -1.255 19413 10601 1 13 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.644 -0.179 19413 10602 1 13 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.927 -0.126 19413 10603 1 13 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.684 -0.335 19413 10604 1 13 . 1 1 46 46 VAL H H 46 8.583 8.583 8.662 -0.079 19413 10605 1 13 . 1 1 47 47 ARG N N 47 119.655 119.655 119.653 0.002 19413 10606 1 13 . 1 1 47 47 ARG HA H 47 3.821 3.821 4.093 -0.272 19413 10607 1 13 . 1 1 47 47 ARG CA C 47 59.802 59.802 58.712 1.090 19413 10608 1 13 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.544 0.794 19413 10609 1 13 . 1 1 47 47 ARG H H 47 8.522 8.522 8.300 0.222 19413 10610 1 13 . 1 1 48 48 GLN N N 48 115.072 115.072 118.015 -2.943 19413 10611 1 13 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.222 -0.104 19413 10612 1 13 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.754 -0.025 19413 10613 1 13 . 1 1 48 48 GLN CB C 48 29.010 29.010 29.301 -0.291 19413 10614 1 13 . 1 1 48 48 GLN H H 48 7.605 7.605 7.684 -0.079 19413 10615 1 13 . 1 1 49 49 LYS N N 49 116.858 116.858 116.514 0.344 19413 10616 1 13 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.515 -0.093 19413 10617 1 13 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.443 -0.638 19413 10618 1 13 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.096 -0.448 19413 10619 1 13 . 1 1 49 49 LYS H H 49 7.460 7.460 7.877 -0.417 19413 10620 1 13 . 1 1 50 50 LEU N N 50 119.786 119.786 123.468 -3.682 19413 10621 1 13 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.231 0.168 19413 10622 1 13 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.899 -0.971 19413 10623 1 13 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.723 -0.769 19413 10624 1 13 . 1 1 50 50 LEU H H 50 7.215 7.215 7.536 -0.321 19413 10625 1 13 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.638 -0.162 19413 10626 1 13 . 1 1 51 51 PRO CA C 51 62.272 62.272 61.900 0.372 19413 10627 1 13 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.705 -1.251 19413 10628 1 13 . 1 1 52 52 GLU N N 52 126.400 126.400 119.931 6.469 19413 10629 1 13 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.162 -0.062 19413 10630 1 13 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.970 1.145 19413 10631 1 13 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.284 1.052 19413 10632 1 13 . 1 1 52 52 GLU H H 52 8.935 8.935 8.716 0.219 19413 10633 1 13 . 1 1 53 53 GLY N N 53 113.671 113.671 110.412 3.259 19413 10634 1 13 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.642 -0.796 19413 10635 1 13 . 1 1 53 53 GLY H H 53 8.948 8.948 8.548 0.400 19413 10636 1 13 . 1 1 54 54 THR N N 54 118.129 118.129 117.538 0.591 19413 10637 1 13 . 1 1 54 54 THR HA H 54 4.161 4.161 4.058 0.103 19413 10638 1 13 . 1 1 54 54 THR CA C 54 63.707 63.707 64.068 -0.361 19413 10639 1 13 . 1 1 54 54 THR CB C 54 68.784 68.784 68.918 -0.134 19413 10640 1 13 . 1 1 54 54 THR H H 54 7.696 7.696 7.678 0.018 19413 10641 1 13 . 1 1 55 55 LYS N N 55 129.892 129.892 119.812 10.080 19413 10642 1 13 . 1 1 55 55 LYS HA H 55 4.375 4.375 3.988 0.387 19413 10643 1 13 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.763 -0.928 19413 10644 1 13 . 1 1 55 55 LYS CB C 55 33.448 33.448 31.945 1.503 19413 10645 1 13 . 1 1 55 55 LYS H H 55 8.757 8.757 8.274 0.482 19413 10646 1 13 . 1 1 56 56 MET N N 56 125.391 125.391 123.361 2.030 19413 10647 1 13 . 1 1 56 56 MET HA H 56 5.258 5.258 4.165 1.093 19413 10648 1 13 . 1 1 56 56 MET CA C 56 54.436 54.436 57.191 -2.755 19413 10649 1 13 . 1 1 56 56 MET CB C 56 34.394 34.394 32.489 1.905 19413 10650 1 13 . 1 1 56 56 MET H H 56 8.512 8.512 8.464 0.048 19413 10651 1 13 . 1 1 57 57 THR N N 57 124.711 124.711 120.480 4.231 19413 10652 1 13 . 1 1 57 57 THR HA H 57 4.390 4.390 4.520 -0.130 19413 10653 1 13 . 1 1 57 57 THR CA C 57 61.942 61.942 61.583 0.359 19413 10654 1 13 . 1 1 57 57 THR CB C 57 70.952 70.952 70.722 0.231 19413 10655 1 13 . 1 1 57 57 THR H H 57 8.830 8.830 7.914 0.916 19413 10656 1 13 . 1 1 58 58 LYS N N 58 126.113 126.113 128.017 -1.904 19413 10657 1 13 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.077 0.205 19413 10658 1 13 . 1 1 58 58 LYS CA C 58 54.501 54.501 55.246 -0.745 19413 10659 1 13 . 1 1 58 58 LYS CB C 58 35.417 35.417 35.109 0.308 19413 10660 1 13 . 1 1 58 58 LYS H H 58 8.739 8.739 8.596 0.143 19413 10661 1 13 . 1 1 59 59 TYR N N 59 127.472 127.472 125.722 1.750 19413 10662 1 13 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.968 0.658 19413 10663 1 13 . 1 1 59 59 TYR CA C 59 51.825 51.825 56.093 -4.268 19413 10664 1 13 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.074 0.611 19413 10665 1 13 . 1 1 59 59 TYR H H 59 9.524 9.524 8.565 0.959 19413 10666 1 13 . 1 1 60 60 HIS N N 60 123.656 123.656 115.413 8.243 19413 10667 1 13 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.966 -0.582 19413 10668 1 13 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.843 1.624 19413 10669 1 13 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.190 -1.371 19413 10670 1 13 . 1 1 60 60 HIS H H 60 9.284 9.284 8.525 0.759 19413 10671 1 13 . 1 1 61 61 VAL N N 61 112.397 112.397 114.301 -1.904 19413 10672 1 13 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.478 0.259 19413 10673 1 13 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.140 -1.061 19413 10674 1 13 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.211 -1.326 19413 10675 1 13 . 1 1 61 61 VAL H H 61 6.262 6.262 8.056 -1.794 19413 10676 1 13 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.686 -0.645 19413 10677 1 13 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.246 0.082 19413 10678 1 13 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.881 -0.129 19413 10679 1 13 . 1 1 63 63 PHE N N 63 111.215 111.215 119.048 -7.833 19413 10680 1 13 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.741 -0.170 19413 10681 1 13 . 1 1 63 63 PHE CA C 63 57.709 57.709 57.900 -0.191 19413 10682 1 13 . 1 1 63 63 PHE CB C 63 37.605 37.605 42.468 -4.863 19413 10683 1 13 . 1 1 63 63 PHE H H 63 6.419 6.419 7.891 -1.472 19413 10684 1 13 . 1 1 64 64 LEU N N 64 119.701 119.701 121.357 -1.656 19413 10685 1 13 . 1 1 64 64 LEU HA H 64 4.695 4.695 3.956 0.739 19413 10686 1 13 . 1 1 64 64 LEU CA C 64 53.812 53.812 55.116 -1.304 19413 10687 1 13 . 1 1 64 64 LEU CB C 64 44.338 44.338 41.877 2.461 19413 10688 1 13 . 1 1 64 64 LEU H H 64 6.396 6.396 8.397 -2.001 19413 10689 1 13 . 1 1 65 65 GLY N N 65 108.957 108.957 109.694 -0.737 19413 10690 1 13 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.817 -0.639 19413 10691 1 13 . 1 1 65 65 GLY H H 65 8.084 8.084 8.028 0.056 19413 10692 1 13 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.249 0.162 19413 10693 1 13 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.761 0.234 19413 10694 1 13 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.040 -0.249 19413 10695 1 13 . 1 1 67 67 LEU N N 67 114.479 114.479 118.015 -3.536 19413 10696 1 13 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.883 0.584 19413 10697 1 13 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.204 -1.311 19413 10698 1 13 . 1 1 67 67 LEU CB C 67 40.438 40.438 41.252 -0.814 19413 10699 1 13 . 1 1 67 67 LEU H H 67 7.484 7.484 8.252 -0.768 19413 10700 1 13 . 1 1 68 68 GLY N N 68 108.957 108.957 109.472 -0.515 19413 10701 1 13 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.591 1.916 19413 10702 1 13 . 1 1 68 68 GLY H H 68 7.659 7.659 8.111 -0.452 19413 10703 1 13 . 1 1 69 69 LYS N N 69 124.459 124.459 121.808 2.651 19413 10704 1 13 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.147 -0.101 19413 10705 1 13 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.757 2.279 19413 10706 1 13 . 1 1 69 69 LYS CB C 69 31.592 31.592 31.899 -0.308 19413 10707 1 13 . 1 1 69 69 LYS H H 69 9.149 9.149 8.422 0.727 19413 10708 1 13 . 1 1 70 70 ASP N N 70 122.631 122.631 120.038 2.593 19413 10709 1 13 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.556 0.159 19413 10710 1 13 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.425 0.470 19413 10711 1 13 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.969 1.188 19413 10712 1 13 . 1 1 70 70 ASP H H 70 8.519 8.519 7.710 0.809 19413 10713 1 13 . 1 1 71 71 LEU N N 71 119.276 119.276 120.254 -0.978 19413 10714 1 13 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.858 0.379 19413 10715 1 13 . 1 1 71 71 LEU CA C 71 57.277 57.277 57.952 -0.675 19413 10716 1 13 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.626 1.451 19413 10717 1 13 . 1 1 71 71 LEU H H 71 9.421 9.421 8.769 0.652 19413 10718 1 13 . 1 1 72 72 THR N N 72 119.204 119.204 115.181 4.023 19413 10719 1 13 . 1 1 72 72 THR HA H 72 4.033 4.033 4.362 -0.329 19413 10720 1 13 . 1 1 72 72 THR CA C 72 67.403 67.403 66.567 0.836 19413 10721 1 13 . 1 1 72 72 THR CB C 72 68.170 68.170 68.748 -0.578 19413 10722 1 13 . 1 1 72 72 THR H H 72 7.762 7.762 8.044 -0.282 19413 10723 1 13 . 1 1 73 73 GLN N N 73 125.845 125.845 121.305 4.540 19413 10724 1 13 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.884 -0.221 19413 10725 1 13 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.978 0.425 19413 10726 1 13 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.253 -2.693 19413 10727 1 13 . 1 1 73 73 GLN H H 73 7.822 7.822 7.706 0.116 19413 10728 1 13 . 1 1 74 74 ALA N N 74 123.013 123.013 121.403 1.610 19413 10729 1 13 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.176 -0.043 19413 10730 1 13 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.990 -0.086 19413 10731 1 13 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.197 0.953 19413 10732 1 13 . 1 1 74 74 ALA H H 74 8.966 8.966 8.054 0.912 19413 10733 1 13 . 1 1 75 75 TRP N N 75 120.717 120.717 120.364 0.353 19413 10734 1 13 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.399 0.500 19413 10735 1 13 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.438 -1.366 19413 10736 1 13 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.424 0.167 19413 10737 1 13 . 1 1 75 75 TRP H H 75 8.932 8.932 7.775 1.157 19413 10738 1 13 . 1 1 76 76 ALA N N 76 119.394 119.394 121.137 -1.743 19413 10739 1 13 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.961 0.014 19413 10740 1 13 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.499 -0.621 19413 10741 1 13 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.881 2.284 19413 10742 1 13 . 1 1 76 76 ALA H H 76 7.650 7.650 8.021 -0.371 19413 10743 1 13 . 1 1 77 77 VAL N N 77 119.658 119.658 119.290 0.368 19413 10744 1 13 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.653 -0.429 19413 10745 1 13 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.038 0.870 19413 10746 1 13 . 1 1 77 77 VAL CB C 77 30.117 30.117 30.833 -0.716 19413 10747 1 13 . 1 1 77 77 VAL H H 77 8.074 8.074 7.552 0.522 19413 10748 1 13 . 1 1 78 78 ALA N N 78 121.951 121.951 121.927 0.024 19413 10749 1 13 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.179 -0.155 19413 10750 1 13 . 1 1 78 78 ALA CA C 78 54.841 54.841 54.853 -0.012 19413 10751 1 13 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.287 -0.788 19413 10752 1 13 . 1 1 78 78 ALA H H 78 8.421 8.421 7.468 0.953 19413 10753 1 13 . 1 1 79 79 ILE N N 79 118.384 118.384 119.389 -1.005 19413 10754 1 13 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.818 -0.202 19413 10755 1 13 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.536 -0.552 19413 10756 1 13 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.894 0.302 19413 10757 1 13 . 1 1 79 79 ILE H H 79 8.122 8.122 7.992 0.130 19413 10758 1 13 . 1 1 80 80 ALA N N 80 124.708 124.708 121.633 3.075 19413 10759 1 13 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.104 -0.126 19413 10760 1 13 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.711 0.204 19413 10761 1 13 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.868 -0.763 19413 10762 1 13 . 1 1 80 80 ALA H H 80 8.694 8.694 8.009 0.685 19413 10763 1 13 . 1 1 81 81 LEU N N 81 114.303 114.303 117.742 -3.439 19413 10764 1 13 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.310 0.070 19413 10765 1 13 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.854 -0.272 19413 10766 1 13 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.656 0.556 19413 10767 1 13 . 1 1 81 81 LEU H H 81 8.469 8.469 7.556 0.913 19413 10768 1 13 . 1 1 82 82 GLY N N 82 112.196 112.196 108.403 3.793 19413 10769 1 13 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.727 1.231 19413 10770 1 13 . 1 1 82 82 GLY H H 82 7.955 7.955 7.622 0.333 19413 10771 1 13 . 1 1 83 83 VAL N N 83 109.426 109.426 113.142 -3.716 19413 10772 1 13 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.344 0.577 19413 10773 1 13 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.704 -1.522 19413 10774 1 13 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.898 -1.457 19413 10775 1 13 . 1 1 83 83 VAL H H 83 8.267 8.267 8.144 0.123 19413 10776 1 13 . 1 1 84 84 GLU N N 84 127.081 127.081 123.744 3.337 19413 10777 1 13 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.678 -0.094 19413 10778 1 13 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.875 0.481 19413 10779 1 13 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.866 0.104 19413 10780 1 13 . 1 1 84 84 GLU H H 84 10.566 10.566 8.439 2.127 19413 10781 1 13 . 1 1 85 85 ASP N N 85 117.467 117.467 116.371 1.096 19413 10782 1 13 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.519 0.068 19413 10783 1 13 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.068 0.211 19413 10784 1 13 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.097 -0.365 19413 10785 1 13 . 1 1 85 85 ASP H H 85 8.946 8.946 8.605 0.341 19413 10786 1 13 . 1 1 86 86 LYS N N 86 119.121 119.121 116.932 2.189 19413 10787 1 13 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.381 0.038 19413 10788 1 13 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.133 0.046 19413 10789 1 13 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.955 -0.529 19413 10790 1 13 . 1 1 86 86 LYS H H 86 7.745 7.745 7.873 -0.128 19413 10791 1 13 . 1 1 87 87 ILE N N 87 108.193 108.193 112.255 -4.062 19413 10792 1 13 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.413 -0.175 19413 10793 1 13 . 1 1 87 87 ILE CA C 87 59.320 59.320 61.430 -2.110 19413 10794 1 13 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.225 1.775 19413 10795 1 13 . 1 1 87 87 ILE H H 87 7.343 7.343 7.547 -0.204 19413 10796 1 13 . 1 1 88 88 THR N N 88 119.455 119.455 117.790 1.665 19413 10797 1 13 . 1 1 88 88 THR HA H 88 4.053 4.053 4.270 -0.217 19413 10798 1 13 . 1 1 88 88 THR CA C 88 69.780 69.780 65.605 4.175 19413 10799 1 13 . 1 1 88 88 THR CB C 88 68.491 68.491 68.743 -0.252 19413 10800 1 13 . 1 1 88 88 THR H H 88 7.746 7.746 7.813 -0.067 19413 10801 1 13 . 1 1 89 89 ALA N N 89 123.122 123.122 124.033 -0.911 19413 10802 1 13 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.905 -0.305 19413 10803 1 13 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.180 1.111 19413 10804 1 13 . 1 1 89 89 ALA CB C 89 15.197 15.197 17.131 -1.934 19413 10805 1 13 . 1 1 89 89 ALA H H 89 9.125 9.125 8.609 0.516 19413 10806 1 13 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.284 0.132 19413 10807 1 13 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.570 -0.349 19413 10808 1 13 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.214 0.197 19413 10809 1 13 . 1 1 91 91 MET N N 91 119.468 119.468 117.053 2.415 19413 10810 1 13 . 1 1 91 91 MET HA H 91 4.370 4.370 4.172 0.198 19413 10811 1 13 . 1 1 91 91 MET CA C 91 56.901 56.901 59.038 -2.137 19413 10812 1 13 . 1 1 91 91 MET CB C 91 30.059 30.059 32.373 -2.314 19413 10813 1 13 . 1 1 91 91 MET H H 91 8.176 8.176 7.717 0.459 19413 10814 1 13 . 1 1 92 92 PHE N N 92 120.720 120.720 119.684 1.036 19413 10815 1 13 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.291 0.227 19413 10816 1 13 . 1 1 92 92 PHE CA C 92 63.883 63.883 61.648 2.235 19413 10817 1 13 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.592 0.732 19413 10818 1 13 . 1 1 92 92 PHE H H 92 8.650 8.650 7.985 0.665 19413 10819 1 13 . 1 1 93 93 GLU N N 93 117.705 117.705 119.082 -1.377 19413 10820 1 13 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.137 -0.071 19413 10821 1 13 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.108 0.294 19413 10822 1 13 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.655 -0.013 19413 10823 1 13 . 1 1 93 93 GLU H H 93 8.240 8.240 8.517 -0.277 19413 10824 1 13 . 1 1 94 94 ALA N N 94 123.067 123.067 120.459 2.608 19413 10825 1 13 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.807 -0.356 19413 10826 1 13 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.639 0.356 19413 10827 1 13 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.838 -0.835 19413 10828 1 13 . 1 1 94 94 ALA H H 94 8.431 8.431 7.856 0.575 19413 10829 1 13 . 1 1 95 95 VAL N N 95 115.582 115.582 118.258 -2.676 19413 10830 1 13 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.797 -0.075 19413 10831 1 13 . 1 1 95 95 VAL CA C 95 65.804 65.804 65.161 0.643 19413 10832 1 13 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.631 -0.892 19413 10833 1 13 . 1 1 95 95 VAL H H 95 8.467 8.467 7.819 0.648 19413 10834 1 13 . 1 1 96 96 GLN N N 96 113.295 113.295 118.307 -5.012 19413 10835 1 13 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.364 0.187 19413 10836 1 13 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.936 0.290 19413 10837 1 13 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.902 0.777 19413 10838 1 13 . 1 1 96 96 GLN H H 96 8.184 8.184 8.437 -0.253 19413 10839 1 13 . 1 1 97 97 LYS N N 97 118.621 118.621 119.872 -1.251 19413 10840 1 13 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.133 0.554 19413 10841 1 13 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.713 -1.554 19413 10842 1 13 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.935 -0.393 19413 10843 1 13 . 1 1 97 97 LYS H H 97 8.231 8.231 7.801 0.429 19413 10844 1 13 . 1 1 98 98 THR N N 98 110.486 110.486 108.002 2.484 19413 10845 1 13 . 1 1 98 98 THR HA H 98 4.285 4.285 4.307 -0.022 19413 10846 1 13 . 1 1 98 98 THR CA C 98 62.420 62.420 62.357 0.063 19413 10847 1 13 . 1 1 98 98 THR CB C 98 68.343 68.343 69.918 -1.575 19413 10848 1 13 . 1 1 98 98 THR H H 98 8.612 8.612 7.709 0.903 19413 10849 1 13 . 1 1 99 99 GLN N N 99 115.751 115.751 116.305 -0.554 19413 10850 1 13 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.280 -0.095 19413 10851 1 13 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.060 -0.074 19413 10852 1 13 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.197 -0.574 19413 10853 1 13 . 1 1 99 99 GLN H H 99 6.979 6.979 8.460 -1.481 19413 10854 1 13 . 1 1 100 100 THR N N 100 108.660 108.660 112.798 -4.138 19413 10855 1 13 . 1 1 100 100 THR HA H 100 4.350 4.350 4.067 0.283 19413 10856 1 13 . 1 1 100 100 THR CA C 100 61.035 61.035 64.554 -3.519 19413 10857 1 13 . 1 1 100 100 THR CB C 100 68.306 68.306 69.288 -0.982 19413 10858 1 13 . 1 1 100 100 THR H H 100 8.362 8.362 7.602 0.760 19413 10859 1 13 . 1 1 101 101 VAL N N 101 121.417 121.417 123.088 -1.671 19413 10860 1 13 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.783 0.410 19413 10861 1 13 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.756 -2.789 19413 10862 1 13 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.795 0.554 19413 10863 1 13 . 1 1 101 101 VAL H H 101 7.376 7.376 8.034 -0.658 19413 10864 1 13 . 1 1 102 102 GLN N N 102 127.472 127.472 124.798 2.674 19413 10865 1 13 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.554 0.010 19413 10866 1 13 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.855 -0.739 19413 10867 1 13 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.012 -1.244 19413 10868 1 13 . 1 1 102 102 GLN H H 102 9.583 9.583 8.465 1.118 19413 10869 1 13 . 1 1 103 103 SER N N 103 116.698 116.698 114.837 1.861 19413 10870 1 13 . 1 1 103 103 SER HA H 103 4.883 4.883 4.786 0.097 19413 10871 1 13 . 1 1 103 103 SER CA C 103 56.423 56.423 57.227 -0.804 19413 10872 1 13 . 1 1 103 103 SER CB C 103 66.834 66.834 65.425 1.409 19413 10873 1 13 . 1 1 103 103 SER H H 103 8.539 8.539 7.663 0.876 19413 10874 1 13 . 1 1 104 104 VAL N N 104 120.375 120.375 122.618 -2.243 19413 10875 1 13 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.577 0.163 19413 10876 1 13 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.026 -0.270 19413 10877 1 13 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.270 -0.341 19413 10878 1 13 . 1 1 104 104 VAL H H 104 8.929 8.929 8.664 0.265 19413 10879 1 13 . 1 1 105 105 ALA N N 105 125.255 125.255 120.452 4.803 19413 10880 1 13 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.909 0.091 19413 10881 1 13 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.510 0.396 19413 10882 1 13 . 1 1 105 105 ALA CB C 105 18.053 18.053 18.070 -0.017 19413 10883 1 13 . 1 1 105 105 ALA H H 105 8.099 8.099 8.430 -0.331 19413 10884 1 13 . 1 1 106 106 ASP N N 106 118.317 118.317 117.613 0.704 19413 10885 1 13 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.641 -0.266 19413 10886 1 13 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.330 0.334 19413 10887 1 13 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.932 0.835 19413 10888 1 13 . 1 1 106 106 ASP H H 106 7.603 7.603 8.164 -0.561 19413 10889 1 13 . 1 1 107 107 ILE N N 107 120.210 120.210 120.459 -0.249 19413 10890 1 13 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.789 -0.458 19413 10891 1 13 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.675 0.934 19413 10892 1 13 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.036 -0.146 19413 10893 1 13 . 1 1 107 107 ILE H H 107 7.342 7.342 7.128 0.214 19413 10894 1 13 . 1 1 108 108 ARG N N 108 119.234 119.234 118.990 0.244 19413 10895 1 13 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.358 -0.561 19413 10896 1 13 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.594 0.062 19413 10897 1 13 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.497 1.345 19413 10898 1 13 . 1 1 108 108 ARG H H 108 6.677 6.677 8.351 -1.674 19413 10899 1 13 . 1 1 109 109 LYS N N 109 117.662 117.662 120.308 -2.646 19413 10900 1 13 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.988 -0.142 19413 10901 1 13 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.660 -0.441 19413 10902 1 13 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.053 -0.080 19413 10903 1 13 . 1 1 109 109 LYS H H 109 7.164 7.164 7.973 -0.809 19413 10904 1 13 . 1 1 110 110 VAL N N 110 118.257 118.257 119.447 -1.190 19413 10905 1 13 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.891 -0.250 19413 10906 1 13 . 1 1 110 110 VAL CA C 110 66.062 66.062 65.785 0.277 19413 10907 1 13 . 1 1 110 110 VAL CB C 110 31.224 31.224 30.882 0.342 19413 10908 1 13 . 1 1 110 110 VAL H H 110 7.269 7.269 7.591 -0.322 19413 10909 1 13 . 1 1 111 111 PHE N N 111 118.699 118.699 118.391 0.308 19413 10910 1 13 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.168 -0.258 19413 10911 1 13 . 1 1 111 111 PHE CA C 111 61.480 61.480 63.204 -1.724 19413 10912 1 13 . 1 1 111 111 PHE CB C 111 38.423 38.423 37.949 0.474 19413 10913 1 13 . 1 1 111 111 PHE H H 111 7.411 7.411 7.994 -0.583 19413 10914 1 13 . 1 1 112 112 VAL N N 112 121.527 121.527 120.559 0.968 19413 10915 1 13 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.893 0.718 19413 10916 1 13 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.864 -1.145 19413 10917 1 13 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.478 -0.107 19413 10918 1 13 . 1 1 112 112 VAL H H 112 8.424 8.424 7.607 0.817 19413 10919 1 13 . 1 1 113 113 ASP N N 113 124.032 124.032 121.429 2.603 19413 10920 1 13 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.354 0.093 19413 10921 1 13 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.015 -0.337 19413 10922 1 13 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.236 -0.956 19413 10923 1 13 . 1 1 113 113 ASP H H 113 9.048 9.048 8.535 0.513 19413 10924 1 13 . 1 1 114 114 ALA N N 114 121.399 121.399 118.562 2.837 19413 10925 1 13 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.228 0.239 19413 10926 1 13 . 1 1 114 114 ALA CA C 114 51.878 51.878 53.006 -1.128 19413 10927 1 13 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.643 -1.030 19413 10928 1 13 . 1 1 114 114 ALA H H 114 7.505 7.505 8.060 -0.555 19413 10929 1 13 . 1 1 115 115 GLY N N 115 105.755 105.755 104.702 1.053 19413 10930 1 13 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.707 0.396 19413 10931 1 13 . 1 1 115 115 GLY H H 115 7.895 7.895 7.884 0.011 19413 10932 1 13 . 1 1 116 116 VAL N N 116 124.542 124.542 123.955 0.587 19413 10933 1 13 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.242 -0.222 19413 10934 1 13 . 1 1 116 116 VAL CA C 116 61.601 61.601 61.273 0.328 19413 10935 1 13 . 1 1 116 116 VAL CB C 116 31.739 31.739 32.804 -1.065 19413 10936 1 13 . 1 1 116 116 VAL H H 116 8.095 8.095 8.144 -0.049 19413 10937 1 13 . 1 1 117 117 LYS N N 117 128.363 128.363 128.590 -0.227 19413 10938 1 13 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.139 0.044 19413 10939 1 13 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.175 -0.090 19413 10940 1 13 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.435 -0.623 19413 10941 1 13 . 1 1 117 117 LYS H H 117 9.102 9.102 8.781 0.321 19413 10942 1 13 . 1 1 118 118 GLY N N 118 116.049 116.049 112.999 3.050 19413 10943 1 13 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.933 0.735 19413 10944 1 13 . 1 1 118 118 GLY H H 118 9.300 9.300 8.806 0.494 19413 10945 1 13 . 1 1 119 119 GLU N N 119 118.512 118.512 118.415 0.097 19413 10946 1 13 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.185 0.041 19413 10947 1 13 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.641 0.882 19413 10948 1 13 . 1 1 119 119 GLU CB C 119 28.813 28.813 28.892 -0.079 19413 10949 1 13 . 1 1 119 119 GLU H H 119 9.501 9.501 8.606 0.895 19413 10950 1 13 . 1 1 120 120 ASP N N 120 121.262 121.262 119.065 2.197 19413 10951 1 13 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.580 -0.001 19413 10952 1 13 . 1 1 120 120 ASP CA C 120 56.559 56.559 55.602 0.957 19413 10953 1 13 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.668 -2.036 19413 10954 1 13 . 1 1 120 120 ASP H H 120 7.088 7.088 7.537 -0.449 19413 10955 1 13 . 1 1 121 121 TYR N N 121 123.619 123.619 121.607 2.012 19413 10956 1 13 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.039 -0.317 19413 10957 1 13 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.796 0.355 19413 10958 1 13 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.456 -0.454 19413 10959 1 13 . 1 1 121 121 TYR H H 121 7.986 7.986 8.683 -0.697 19413 10960 1 13 . 1 1 122 122 ASP N N 122 119.702 119.702 118.004 1.698 19413 10961 1 13 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.557 -0.303 19413 10962 1 13 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.490 0.632 19413 10963 1 13 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.446 -0.835 19413 10964 1 13 . 1 1 122 122 ASP H H 122 8.812 8.812 8.438 0.374 19413 10965 1 13 . 1 1 123 123 ALA N N 123 121.138 121.138 122.348 -1.210 19413 10966 1 13 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.364 -0.138 19413 10967 1 13 . 1 1 123 123 ALA CA C 123 54.230 54.230 53.521 0.709 19413 10968 1 13 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.602 -1.476 19413 10969 1 13 . 1 1 123 123 ALA H H 123 7.696 7.696 7.567 0.129 19413 10970 1 13 . 1 1 124 124 ALA N N 124 120.299 120.299 122.605 -2.306 19413 10971 1 13 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.096 0.010 19413 10972 1 13 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.914 -0.588 19413 10973 1 13 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.190 0.375 19413 10974 1 13 . 1 1 124 124 ALA H H 124 7.935 7.935 8.552 -0.617 19413 10975 1 13 . 1 1 125 125 TRP N N 125 121.357 121.357 119.546 1.811 19413 10976 1 13 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.430 -0.954 19413 10977 1 13 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.364 1.099 19413 10978 1 13 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.227 -0.850 19413 10979 1 13 . 1 1 125 125 TRP H H 125 8.948 8.948 7.929 1.019 19413 10980 1 13 . 1 1 126 126 ASN N N 126 110.817 110.817 112.929 -2.112 19413 10981 1 13 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.716 0.127 19413 10982 1 13 . 1 1 126 126 ASN CA C 126 52.522 52.522 53.026 -0.504 19413 10983 1 13 . 1 1 126 126 ASN CB C 126 40.070 40.070 38.970 1.100 19413 10984 1 13 . 1 1 126 126 ASN H H 126 7.024 7.024 7.812 -0.788 19413 10985 1 13 . 1 1 127 127 SER N N 127 116.650 116.650 114.886 1.764 19413 10986 1 13 . 1 1 127 127 SER HA H 127 4.472 4.472 4.651 -0.179 19413 10987 1 13 . 1 1 127 127 SER CA C 127 58.535 58.535 56.580 1.955 19413 10988 1 13 . 1 1 127 127 SER CB C 127 65.513 65.513 65.031 0.482 19413 10989 1 13 . 1 1 127 127 SER H H 127 7.831 7.831 7.828 0.003 19413 10990 1 13 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.331 -0.053 19413 10991 1 13 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.099 -0.044 19413 10992 1 13 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.167 -0.799 19413 10993 1 13 . 1 1 129 129 VAL N N 129 120.058 120.058 118.719 1.339 19413 10994 1 13 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.758 -0.044 19413 10995 1 13 . 1 1 129 129 VAL CA C 129 65.672 65.672 67.048 -1.376 19413 10996 1 13 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.321 0.457 19413 10997 1 13 . 1 1 129 129 VAL H H 129 8.340 8.340 8.005 0.335 19413 10998 1 13 . 1 1 130 130 VAL N N 130 122.552 122.552 118.916 3.636 19413 10999 1 13 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.591 -0.080 19413 11000 1 13 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.076 0.758 19413 11001 1 13 . 1 1 130 130 VAL CB C 130 31.224 31.224 30.897 0.327 19413 11002 1 13 . 1 1 130 130 VAL H H 130 7.163 7.163 7.514 -0.351 19413 11003 1 13 . 1 1 131 131 LYS N N 131 122.079 122.079 119.994 2.085 19413 11004 1 13 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.716 0.040 19413 11005 1 13 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.674 0.060 19413 11006 1 13 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.274 0.244 19413 11007 1 13 . 1 1 131 131 LYS H H 131 7.852 7.852 7.485 0.367 19413 11008 1 13 . 1 1 132 132 SER N N 132 115.836 115.836 114.790 1.046 19413 11009 1 13 . 1 1 132 132 SER HA H 132 4.155 4.155 4.170 -0.015 19413 11010 1 13 . 1 1 132 132 SER CA C 132 61.022 61.022 61.843 -0.820 19413 11011 1 13 . 1 1 132 132 SER CB C 132 62.309 62.309 63.079 -0.770 19413 11012 1 13 . 1 1 132 132 SER H H 132 8.258 8.258 8.264 -0.006 19413 11013 1 13 . 1 1 133 133 LEU N N 133 124.754 124.754 122.395 2.359 19413 11014 1 13 . 1 1 133 133 LEU HA H 133 4.197 4.197 4.071 0.126 19413 11015 1 13 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.846 -0.282 19413 11016 1 13 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.105 2.056 19413 11017 1 13 . 1 1 133 133 LEU H H 133 8.140 8.140 8.053 0.087 19413 11018 1 13 . 1 1 134 134 VAL N N 134 123.461 123.461 119.557 3.904 19413 11019 1 13 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.918 -0.637 19413 11020 1 13 . 1 1 134 134 VAL CA C 134 68.857 68.857 65.982 2.875 19413 11021 1 13 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.076 -0.220 19413 11022 1 13 . 1 1 134 134 VAL H H 134 8.718 8.718 8.437 0.281 19413 11023 1 13 . 1 1 135 135 ALA N N 135 121.739 121.739 121.359 0.380 19413 11024 1 13 . 1 1 135 135 ALA HA H 135 4.164 4.164 4.186 -0.022 19413 11025 1 13 . 1 1 135 135 ALA CA C 135 54.929 54.929 54.790 0.139 19413 11026 1 13 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.295 -0.869 19413 11027 1 13 . 1 1 135 135 ALA H H 135 7.513 7.513 7.979 -0.466 19413 11028 1 13 . 1 1 136 136 GLN N N 136 119.033 119.033 116.544 2.489 19413 11029 1 13 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.947 0.129 19413 11030 1 13 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.877 0.232 19413 11031 1 13 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.422 0.663 19413 11032 1 13 . 1 1 136 136 GLN H H 136 8.473 8.473 8.301 0.172 19413 11033 1 13 . 1 1 137 137 GLN N N 137 119.734 119.734 116.827 2.907 19413 11034 1 13 . 1 1 137 137 GLN HA H 137 3.512 3.512 3.822 -0.310 19413 11035 1 13 . 1 1 137 137 GLN CA C 137 59.882 59.882 57.483 2.399 19413 11036 1 13 . 1 1 137 137 GLN CB C 137 30.843 30.843 27.556 3.287 19413 11037 1 13 . 1 1 137 137 GLN H H 137 7.995 7.995 7.578 0.417 19413 11038 1 13 . 1 1 138 138 GLU N N 138 121.309 121.309 121.284 0.025 19413 11039 1 13 . 1 1 138 138 GLU HA H 138 3.935 3.935 3.959 -0.024 19413 11040 1 13 . 1 1 138 138 GLU CA C 138 58.977 58.977 58.831 0.146 19413 11041 1 13 . 1 1 138 138 GLU CB C 138 28.965 28.965 28.940 0.025 19413 11042 1 13 . 1 1 138 138 GLU H H 138 8.291 8.291 8.030 0.261 19413 11043 1 13 . 1 1 139 139 LYS N N 139 122.121 122.121 120.516 1.605 19413 11044 1 13 . 1 1 139 139 LYS HA H 139 4.117 4.117 3.975 0.142 19413 11045 1 13 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.257 -0.333 19413 11046 1 13 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.385 0.207 19413 11047 1 13 . 1 1 139 139 LYS H H 139 8.603 8.603 7.679 0.924 19413 11048 1 13 . 1 1 140 140 ALA N N 140 120.286 120.286 119.301 0.985 19413 11049 1 13 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.267 0.143 19413 11050 1 13 . 1 1 140 140 ALA CA C 140 55.063 55.063 53.882 1.181 19413 11051 1 13 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.756 -0.310 19413 11052 1 13 . 1 1 140 140 ALA H H 140 8.140 8.140 7.379 0.761 19413 11053 1 13 . 1 1 141 141 ALA N N 141 116.994 116.994 120.504 -3.510 19413 11054 1 13 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.141 -0.493 19413 11055 1 13 . 1 1 141 141 ALA CA C 141 54.515 54.515 54.154 0.361 19413 11056 1 13 . 1 1 141 141 ALA CB C 141 18.001 18.001 19.093 -1.092 19413 11057 1 13 . 1 1 141 141 ALA H H 141 7.251 7.251 8.004 -0.753 19413 11058 1 13 . 1 1 142 142 ALA N N 142 121.272 121.272 120.103 1.169 19413 11059 1 13 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.105 0.079 19413 11060 1 13 . 1 1 142 142 ALA CA C 142 54.657 54.657 54.241 0.416 19413 11061 1 13 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.210 0.007 19413 11062 1 13 . 1 1 142 142 ALA H H 142 7.940 7.940 7.977 -0.037 19413 11063 1 13 . 1 1 143 143 ASP N N 143 121.599 121.599 118.214 3.385 19413 11064 1 13 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.598 -0.262 19413 11065 1 13 . 1 1 143 143 ASP CA C 143 56.975 56.975 54.415 2.560 19413 11066 1 13 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.266 -1.231 19413 11067 1 13 . 1 1 143 143 ASP H H 143 9.272 9.272 7.931 1.341 19413 11068 1 13 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.953 0.158 19413 11069 1 13 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.372 -0.825 19413 11070 1 13 . 1 1 144 144 LEU CB C 144 41.055 41.055 38.694 2.361 19413 11071 1 13 . 1 1 145 145 GLN N N 145 116.940 116.940 116.942 -0.002 19413 11072 1 13 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.401 -0.649 19413 11073 1 13 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.562 -0.739 19413 11074 1 13 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.736 -3.604 19413 11075 1 13 . 1 1 145 145 GLN H H 145 7.750 7.750 8.423 -0.673 19413 11076 1 13 . 1 1 146 146 LEU N N 146 119.399 119.399 120.093 -0.694 19413 11077 1 13 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.501 -0.615 19413 11078 1 13 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.348 0.965 19413 11079 1 13 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.904 0.238 19413 11080 1 13 . 1 1 146 146 LEU H H 146 7.516 7.516 7.742 -0.226 19413 11081 1 13 . 1 1 147 147 GLN N N 147 123.118 123.118 117.306 5.812 19413 11082 1 13 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.799 0.348 19413 11083 1 13 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.714 -1.847 19413 11084 1 13 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.824 2.701 19413 11085 1 13 . 1 1 147 147 GLN H H 147 8.895 8.895 8.215 0.680 19413 11086 1 13 . 1 1 148 148 GLY N N 148 106.555 106.555 104.778 1.777 19413 11087 1 13 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.300 0.804 19413 11088 1 13 . 1 1 148 148 GLY H H 148 7.275 7.275 7.434 -0.159 19413 11089 1 13 . 1 1 149 149 VAL N N 149 110.030 110.030 117.099 -7.069 19413 11090 1 13 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.649 -0.178 19413 11091 1 13 . 1 1 149 149 VAL CA C 149 57.637 57.637 59.121 -1.484 19413 11092 1 13 . 1 1 149 149 VAL CB C 149 34.682 34.682 33.754 0.928 19413 11093 1 13 . 1 1 149 149 VAL H H 149 8.267 8.267 8.252 0.015 19413 11094 1 13 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.584 0.226 19413 11095 1 13 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.891 -0.747 19413 11096 1 13 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.488 2.438 19413 11097 1 13 . 1 1 151 151 ALA N N 151 123.567 123.567 122.703 0.864 19413 11098 1 13 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.617 0.268 19413 11099 1 13 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.915 -0.290 19413 11100 1 13 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.358 2.489 19413 11101 1 13 . 1 1 151 151 ALA H H 151 8.249 8.249 8.271 -0.022 19413 11102 1 13 . 1 1 152 152 MET N N 152 121.866 121.866 121.901 -0.035 19413 11103 1 13 . 1 1 152 152 MET HA H 152 5.724 5.724 5.126 0.598 19413 11104 1 13 . 1 1 152 152 MET CA C 152 55.487 55.487 55.323 0.164 19413 11105 1 13 . 1 1 152 152 MET CB C 152 36.830 36.830 36.331 0.499 19413 11106 1 13 . 1 1 152 152 MET H H 152 8.610 8.610 8.402 0.208 19413 11107 1 13 . 1 1 153 153 TYR N N 153 124.782 124.782 122.695 2.087 19413 11108 1 13 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.445 0.309 19413 11109 1 13 . 1 1 153 153 TYR CA C 153 56.208 56.208 56.666 -0.458 19413 11110 1 13 . 1 1 153 153 TYR CB C 153 42.990 42.990 42.306 0.684 19413 11111 1 13 . 1 1 153 153 TYR H H 153 9.685 9.685 8.913 0.772 19413 11112 1 13 . 1 1 154 154 VAL N N 154 121.914 121.914 118.787 3.127 19413 11113 1 13 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.325 -0.665 19413 11114 1 13 . 1 1 154 154 VAL H H 154 9.441 9.441 8.989 0.452 19413 11115 1 13 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.356 0.383 19413 11116 1 13 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.713 -0.240 19413 11117 1 13 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.024 -0.870 19413 11118 1 13 . 1 1 156 156 GLY N N 156 106.059 106.059 103.855 2.204 19413 11119 1 13 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.536 0.650 19413 11120 1 13 . 1 1 156 156 GLY H H 156 9.354 9.354 8.463 0.891 19413 11121 1 13 . 1 1 157 157 LYS N N 157 114.357 114.357 112.210 2.147 19413 11122 1 13 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.304 0.248 19413 11123 1 13 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.440 0.315 19413 11124 1 13 . 1 1 157 157 LYS CB C 157 36.788 36.788 33.957 2.831 19413 11125 1 13 . 1 1 157 157 LYS H H 157 7.877 7.877 7.763 0.114 19413 11126 1 13 . 1 1 158 158 TYR N N 158 117.900 117.900 120.635 -2.735 19413 11127 1 13 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.720 0.144 19413 11128 1 13 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.960 -1.104 19413 11129 1 13 . 1 1 158 158 TYR CB C 158 42.879 42.879 41.202 1.677 19413 11130 1 13 . 1 1 158 158 TYR H H 158 7.876 7.876 8.342 -0.466 19413 11131 1 13 . 1 1 159 159 GLN N N 159 125.094 125.094 121.145 3.949 19413 11132 1 13 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.007 -0.254 19413 11133 1 13 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.772 -0.366 19413 11134 1 13 . 1 1 159 159 GLN CB C 159 31.849 31.849 32.877 -1.028 19413 11135 1 13 . 1 1 159 159 GLN H H 159 9.701 9.701 8.807 0.894 19413 11136 1 13 . 1 1 160 160 LEU N N 160 131.941 131.941 125.145 6.796 19413 11137 1 13 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.192 -0.181 19413 11138 1 13 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.369 -1.374 19413 11139 1 13 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.323 -1.248 19413 11140 1 13 . 1 1 160 160 LEU H H 160 8.551 8.551 8.280 0.271 19413 11141 1 13 . 1 1 161 161 ASN N N 161 118.639 118.639 122.362 -3.723 19413 11142 1 13 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.188 0.308 19413 11143 1 13 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.060 -0.291 19413 11144 1 13 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.743 -0.833 19413 11145 1 13 . 1 1 161 161 ASN H H 161 8.285 8.285 8.562 -0.277 19413 11146 1 13 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.825 -0.036 19413 11147 1 13 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.215 -0.441 19413 11148 1 13 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.580 -0.402 19413 11149 1 13 . 1 1 163 163 GLN N N 163 116.006 116.006 117.291 -1.285 19413 11150 1 13 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.286 -0.060 19413 11151 1 13 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.228 0.738 19413 11152 1 13 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.416 -0.440 19413 11153 1 13 . 1 1 163 163 GLN H H 163 8.086 8.086 8.112 -0.026 19413 11154 1 13 . 1 1 164 164 GLY N N 164 107.393 107.393 106.210 1.183 19413 11155 1 13 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.589 0.014 19413 11156 1 13 . 1 1 164 164 GLY H H 164 8.030 8.030 7.803 0.227 19413 11157 1 13 . 1 1 165 165 MET N N 165 119.802 119.802 119.542 0.260 19413 11158 1 13 . 1 1 165 165 MET HA H 165 4.636 4.636 4.564 0.072 19413 11159 1 13 . 1 1 165 165 MET CA C 165 54.567 54.567 56.239 -1.672 19413 11160 1 13 . 1 1 165 165 MET CB C 165 34.464 34.464 34.851 -0.387 19413 11161 1 13 . 1 1 165 165 MET H H 165 7.451 7.451 7.863 -0.412 19413 11162 1 13 . 1 1 166 166 ASP N N 166 121.681 121.681 120.452 1.229 19413 11163 1 13 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.654 -0.021 19413 11164 1 13 . 1 1 166 166 ASP CA C 166 54.181 54.181 55.030 -0.849 19413 11165 1 13 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.237 -0.584 19413 11166 1 13 . 1 1 166 166 ASP H H 166 8.694 8.694 8.615 0.079 19413 11167 1 13 . 1 1 167 167 THR N N 167 112.609 112.609 115.666 -3.057 19413 11168 1 13 . 1 1 167 167 THR HA H 167 4.224 4.224 4.547 -0.323 19413 11169 1 13 . 1 1 167 167 THR CA C 167 60.340 60.340 61.399 -1.059 19413 11170 1 13 . 1 1 167 167 THR CB C 167 68.416 68.416 68.661 -0.245 19413 11171 1 13 . 1 1 167 167 THR H H 167 7.860 7.860 8.250 -0.390 19413 11172 1 13 . 1 1 168 168 SER N N 168 118.936 118.936 116.639 2.297 19413 11173 1 13 . 1 1 168 168 SER HA H 168 4.158 4.158 4.510 -0.352 19413 11174 1 13 . 1 1 168 168 SER CA C 168 60.874 60.874 58.854 2.020 19413 11175 1 13 . 1 1 168 168 SER CB C 168 63.123 63.123 63.149 -0.026 19413 11176 1 13 . 1 1 168 168 SER H H 168 8.739 8.739 8.268 0.471 19413 11177 1 13 . 1 1 169 169 ASN N N 169 117.875 117.875 119.034 -1.159 19413 11178 1 13 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.882 -0.109 19413 11179 1 13 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.270 -0.922 19413 11180 1 13 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.068 0.624 19413 11181 1 13 . 1 1 169 169 ASN H H 169 7.341 7.341 8.175 -0.834 19413 11182 1 13 . 1 1 170 170 MET N N 170 123.431 123.431 116.102 7.329 19413 11183 1 13 . 1 1 170 170 MET HA H 170 4.600 4.600 3.993 0.607 19413 11184 1 13 . 1 1 170 170 MET CA C 170 57.233 57.233 58.436 -1.203 19413 11185 1 13 . 1 1 170 170 MET CB C 170 32.751 32.751 30.076 2.675 19413 11186 1 13 . 1 1 170 170 MET H H 170 9.186 9.186 8.333 0.853 19413 11187 1 13 . 1 1 171 171 ASP N N 171 120.825 120.825 121.450 -0.625 19413 11188 1 13 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.376 0.117 19413 11189 1 13 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.118 0.388 19413 11190 1 13 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.957 -1.169 19413 11191 1 13 . 1 1 171 171 ASP H H 171 8.232 8.232 8.352 -0.120 19413 11192 1 13 . 1 1 172 172 VAL N N 172 122.666 122.666 118.231 4.435 19413 11193 1 13 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.873 -0.095 19413 11194 1 13 . 1 1 172 172 VAL CA C 172 65.539 65.539 64.683 0.855 19413 11195 1 13 . 1 1 172 172 VAL CB C 172 31.855 31.855 32.014 -0.159 19413 11196 1 13 . 1 1 172 172 VAL H H 172 7.872 7.872 7.597 0.275 19413 11197 1 13 . 1 1 173 173 PHE N N 173 121.872 121.872 122.904 -1.032 19413 11198 1 13 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.420 -0.040 19413 11199 1 13 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.300 0.165 19413 11200 1 13 . 1 1 173 173 PHE CB C 173 39.274 39.274 39.104 0.170 19413 11201 1 13 . 1 1 173 173 PHE H H 173 8.250 8.250 7.915 0.335 19413 11202 1 13 . 1 1 174 174 VAL N N 174 117.535 117.535 118.338 -0.803 19413 11203 1 13 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.499 -0.456 19413 11204 1 13 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.325 1.578 19413 11205 1 13 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.782 0.589 19413 11206 1 13 . 1 1 174 174 VAL H H 174 8.138 8.138 7.731 0.407 19413 11207 1 13 . 1 1 175 175 ALA N N 175 121.129 121.129 122.469 -1.340 19413 11208 1 13 . 1 1 175 175 ALA HA H 175 4.126 4.126 4.036 0.090 19413 11209 1 13 . 1 1 175 175 ALA CA C 175 54.768 54.768 54.778 -0.010 19413 11210 1 13 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.484 -0.469 19413 11211 1 13 . 1 1 175 175 ALA H H 175 7.396 7.396 7.443 -0.047 19413 11212 1 13 . 1 1 176 176 GLN N N 176 120.043 120.043 116.905 3.138 19413 11213 1 13 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.184 -0.105 19413 11214 1 13 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.292 0.670 19413 11215 1 13 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.398 -1.349 19413 11216 1 13 . 1 1 176 176 GLN H H 176 8.721 8.721 7.512 1.209 19413 11217 1 13 . 1 1 177 177 TYR N N 177 127.981 127.981 122.825 5.156 19413 11218 1 13 . 1 1 177 177 TYR HA H 177 3.591 3.591 4.021 -0.430 19413 11219 1 13 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.544 0.018 19413 11220 1 13 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.196 -0.218 19413 11221 1 13 . 1 1 177 177 TYR H H 177 9.002 9.002 8.441 0.561 19413 11222 1 13 . 1 1 178 178 ALA N N 178 119.796 119.796 118.254 1.542 19413 11223 1 13 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.939 0.091 19413 11224 1 13 . 1 1 178 178 ALA CA C 178 55.405 55.405 54.817 0.588 19413 11225 1 13 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.092 -0.123 19413 11226 1 13 . 1 1 178 178 ALA H H 178 8.392 8.392 8.010 0.382 19413 11227 1 13 . 1 1 179 179 ASP N N 179 117.823 117.823 118.317 -0.494 19413 11228 1 13 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.470 -0.051 19413 11229 1 13 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.151 0.145 19413 11230 1 13 . 1 1 179 179 ASP CB C 179 41.803 41.803 41.090 0.713 19413 11231 1 13 . 1 1 179 179 ASP H H 179 8.379 8.379 7.662 0.717 19413 11232 1 13 . 1 1 180 180 THR N N 180 117.846 117.846 116.032 1.814 19413 11233 1 13 . 1 1 180 180 THR HA H 180 4.179 4.179 3.970 0.209 19413 11234 1 13 . 1 1 180 180 THR CA C 180 67.378 67.378 65.556 1.822 19413 11235 1 13 . 1 1 180 180 THR CB C 180 67.733 67.733 68.460 -0.727 19413 11236 1 13 . 1 1 180 180 THR H H 180 8.255 8.255 7.934 0.321 19413 11237 1 13 . 1 1 181 181 VAL N N 181 120.101 120.101 120.974 -0.873 19413 11238 1 13 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.455 -0.274 19413 11239 1 13 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.779 1.001 19413 11240 1 13 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.422 -0.491 19413 11241 1 13 . 1 1 181 181 VAL H H 181 7.772 7.772 7.925 -0.153 19413 11242 1 13 . 1 1 182 182 LYS N N 182 119.144 119.144 118.837 0.307 19413 11243 1 13 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.885 -0.255 19413 11244 1 13 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.328 1.033 19413 11245 1 13 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.161 0.119 19413 11246 1 13 . 1 1 182 182 LYS H H 182 7.758 7.758 7.328 0.430 19413 11247 1 13 . 1 1 183 183 GLN N N 183 116.269 116.269 118.671 -2.402 19413 11248 1 13 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.134 -0.149 19413 11249 1 13 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.586 0.697 19413 11250 1 13 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.651 0.672 19413 11251 1 13 . 1 1 183 183 GLN H H 183 8.114 8.114 8.160 -0.046 19413 11252 1 13 . 1 1 184 184 LEU N N 184 119.688 119.688 118.263 1.425 19413 11253 1 13 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.847 -0.212 19413 11254 1 13 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.645 0.396 19413 11255 1 13 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.725 0.335 19413 11256 1 13 . 1 1 184 184 LEU H H 184 8.000 8.000 7.591 0.409 19413 11257 1 13 . 1 1 185 185 VAL N N 185 121.017 121.017 117.233 3.784 19413 11258 1 13 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.821 -0.309 19413 11259 1 13 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.234 0.508 19413 11260 1 13 . 1 1 185 185 VAL CB C 185 31.564 31.564 32.009 -0.445 19413 11261 1 13 . 1 1 185 185 VAL H H 185 8.494 8.494 7.647 0.847 19413 11262 1 13 . 1 1 186 186 GLU N N 186 117.535 117.535 116.118 1.417 19413 11263 1 13 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.316 -0.196 19413 11264 1 13 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.934 0.224 19413 11265 1 13 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.702 0.087 19413 11266 1 13 . 1 1 186 186 GLU H H 186 7.541 7.541 7.518 0.023 19413 11267 1 13 . 1 1 187 187 LYS N N 187 121.929 121.929 121.058 0.871 19413 11268 1 13 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.448 -0.322 19413 11269 1 13 . 1 1 187 187 LYS CA C 187 57.748 57.748 54.923 2.825 19413 11270 1 13 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.266 1.452 19413 11271 1 13 . 1 1 187 187 LYS H H 187 7.358 7.358 7.212 0.146 19413 11272 1 14 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.810 -0.039 19413 11273 1 14 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.410 -0.122 19413 11274 1 14 . 1 1 0 0 ASN CB C 0 38.921 38.921 40.136 -1.215 19413 11275 1 14 . 1 1 1 1 ALA N N 1 125.275 125.275 120.632 4.643 19413 11276 1 14 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.065 0.254 19413 11277 1 14 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.368 -1.335 19413 11278 1 14 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.654 1.470 19413 11279 1 14 . 1 1 1 1 ALA H H 1 8.441 8.441 8.752 -0.311 19413 11280 1 14 . 1 1 2 2 GLN N N 2 121.120 121.120 115.628 5.492 19413 11281 1 14 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.579 -0.100 19413 11282 1 14 . 1 1 2 2 GLN CA C 2 55.413 55.413 54.338 1.075 19413 11283 1 14 . 1 1 2 2 GLN CB C 2 29.494 29.494 29.564 -0.070 19413 11284 1 14 . 1 1 2 2 GLN H H 2 8.334 8.334 7.949 0.385 19413 11285 1 14 . 1 1 3 3 ILE N N 3 120.380 120.380 117.654 2.726 19413 11286 1 14 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.599 -0.188 19413 11287 1 14 . 1 1 3 3 ILE CA C 3 60.793 60.793 60.194 0.599 19413 11288 1 14 . 1 1 3 3 ILE CB C 3 39.691 39.691 39.794 -0.103 19413 11289 1 14 . 1 1 3 3 ILE H H 3 8.197 8.197 8.160 0.037 19413 11290 1 14 . 1 1 4 4 THR N N 4 120.223 120.223 115.701 4.522 19413 11291 1 14 . 1 1 4 4 THR HA H 4 4.566 4.566 4.574 -0.008 19413 11292 1 14 . 1 1 4 4 THR CA C 4 61.500 61.500 61.142 0.358 19413 11293 1 14 . 1 1 4 4 THR CB C 4 71.727 71.727 71.380 0.347 19413 11294 1 14 . 1 1 4 4 THR H H 4 9.119 9.119 8.249 0.870 19413 11295 1 14 . 1 1 5 5 ASP N N 5 128.193 128.193 119.945 8.248 19413 11296 1 14 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.243 -0.097 19413 11297 1 14 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.692 0.657 19413 11298 1 14 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.569 0.431 19413 11299 1 14 . 1 1 5 5 ASP H H 5 8.510 8.510 8.115 0.395 19413 11300 1 14 . 1 1 6 6 GLY N N 6 117.400 117.400 111.926 5.474 19413 11301 1 14 . 1 1 6 6 GLY CA C 6 44.982 44.982 46.276 -1.294 19413 11302 1 14 . 1 1 6 6 GLY H H 6 8.608 8.608 8.525 0.083 19413 11303 1 14 . 1 1 7 7 LYS N N 7 122.122 122.122 120.998 1.124 19413 11304 1 14 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.391 0.211 19413 11305 1 14 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.046 -0.382 19413 11306 1 14 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.170 -1.407 19413 11307 1 14 . 1 1 7 7 LYS H H 7 8.131 8.131 7.246 0.885 19413 11308 1 14 . 1 1 8 8 GLN N N 8 115.920 115.920 115.885 0.035 19413 11309 1 14 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.462 -0.333 19413 11310 1 14 . 1 1 8 8 GLN CA C 8 59.067 59.067 56.969 2.098 19413 11311 1 14 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.644 -3.558 19413 11312 1 14 . 1 1 8 8 GLN H H 8 8.548 8.548 7.758 0.790 19413 11313 1 14 . 1 1 9 9 TYR N N 9 112.118 112.118 113.873 -1.755 19413 11314 1 14 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.414 -0.296 19413 11315 1 14 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.823 -1.085 19413 11316 1 14 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.134 0.043 19413 11317 1 14 . 1 1 9 9 TYR H H 9 7.572 7.572 7.652 -0.080 19413 11318 1 14 . 1 1 10 10 ILE N N 10 119.488 119.488 118.567 0.921 19413 11319 1 14 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.453 0.128 19413 11320 1 14 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.500 0.498 19413 11321 1 14 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.001 1.002 19413 11322 1 14 . 1 1 10 10 ILE H H 10 9.365 9.365 9.167 0.198 19413 11323 1 14 . 1 1 11 11 THR N N 11 126.054 126.054 118.121 7.933 19413 11324 1 14 . 1 1 11 11 THR HA H 11 4.837 4.837 5.304 -0.467 19413 11325 1 14 . 1 1 11 11 THR CA C 11 63.376 63.376 61.416 1.960 19413 11326 1 14 . 1 1 11 11 THR CB C 11 68.487 68.487 70.416 -1.929 19413 11327 1 14 . 1 1 11 11 THR H H 11 9.153 9.153 8.232 0.921 19413 11328 1 14 . 1 1 12 12 LEU N N 12 129.370 129.370 125.686 3.684 19413 11329 1 14 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.542 -0.293 19413 11330 1 14 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.442 0.844 19413 11331 1 14 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.778 -1.272 19413 11332 1 14 . 1 1 12 12 LEU H H 12 8.636 8.636 8.517 0.119 19413 11333 1 14 . 1 1 13 13 ASP N N 13 122.179 122.179 121.753 0.426 19413 11334 1 14 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.520 -0.082 19413 11335 1 14 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.839 -0.115 19413 11336 1 14 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.369 -0.484 19413 11337 1 14 . 1 1 13 13 ASP H H 13 8.494 8.494 8.425 0.069 19413 11338 1 14 . 1 1 14 14 LYS N N 14 119.361 119.361 119.922 -0.561 19413 11339 1 14 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.657 0.105 19413 11340 1 14 . 1 1 14 14 LYS CA C 14 52.487 52.487 54.141 -1.654 19413 11341 1 14 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.579 -0.676 19413 11342 1 14 . 1 1 14 14 LYS H H 14 7.714 7.714 8.214 -0.500 19413 11343 1 14 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.604 -0.001 19413 11344 1 14 . 1 1 15 15 PRO CA C 15 62.261 62.261 63.136 -0.875 19413 11345 1 14 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.102 2.595 19413 11346 1 14 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.357 0.005 19413 11347 1 14 . 1 1 16 16 ILE CA C 16 58.576 58.576 61.712 -3.136 19413 11348 1 14 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.011 -0.769 19413 11349 1 14 . 1 1 17 17 ALA N N 17 130.287 130.287 129.449 0.838 19413 11350 1 14 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.775 -0.427 19413 11351 1 14 . 1 1 17 17 ALA CA C 17 52.651 52.651 51.534 1.117 19413 11352 1 14 . 1 1 17 17 ALA CB C 17 19.344 19.344 20.427 -1.083 19413 11353 1 14 . 1 1 17 17 ALA H H 17 8.396 8.396 8.433 -0.037 19413 11354 1 14 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.932 0.285 19413 11355 1 14 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.435 -0.034 19413 11356 1 14 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.702 0.690 19413 11357 1 14 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.371 -0.693 19413 11358 1 14 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.740 0.298 19413 11359 1 14 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.988 -2.022 19413 11360 1 14 . 1 1 23 23 LEU CB C 23 46.113 46.113 45.868 0.245 19413 11361 1 14 . 1 1 24 24 GLU N N 24 127.720 127.720 119.180 8.540 19413 11362 1 14 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.363 0.242 19413 11363 1 14 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.145 -0.707 19413 11364 1 14 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.832 -0.128 19413 11365 1 14 . 1 1 24 24 GLU H H 24 8.973 8.973 8.173 0.800 19413 11366 1 14 . 1 1 25 25 PHE N N 25 121.108 121.108 122.424 -1.316 19413 11367 1 14 . 1 1 25 25 PHE HA H 25 6.066 6.066 4.926 1.140 19413 11368 1 14 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.237 -1.292 19413 11369 1 14 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.184 1.821 19413 11370 1 14 . 1 1 25 25 PHE H H 25 9.266 9.266 8.625 0.641 19413 11371 1 14 . 1 1 26 26 PHE N N 26 120.125 120.125 121.715 -1.590 19413 11372 1 14 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.075 -0.294 19413 11373 1 14 . 1 1 26 26 PHE CA C 26 54.838 54.838 55.710 -0.872 19413 11374 1 14 . 1 1 26 26 PHE CB C 26 43.604 43.604 42.258 1.346 19413 11375 1 14 . 1 1 26 26 PHE H H 26 8.957 8.957 8.321 0.636 19413 11376 1 14 . 1 1 27 27 SER N N 27 109.643 109.643 112.089 -2.446 19413 11377 1 14 . 1 1 27 27 SER HA H 27 3.584 3.584 2.789 0.795 19413 11378 1 14 . 1 1 27 27 SER CA C 27 54.556 54.556 55.074 -0.518 19413 11379 1 14 . 1 1 27 27 SER CB C 27 64.711 64.711 65.052 -0.341 19413 11380 1 14 . 1 1 27 27 SER H H 27 6.543 6.543 7.796 -1.253 19413 11381 1 14 . 1 1 28 28 PHE N N 28 132.096 132.096 120.010 12.086 19413 11382 1 14 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.235 0.132 19413 11383 1 14 . 1 1 28 28 PHE CA C 28 62.530 62.530 59.143 3.387 19413 11384 1 14 . 1 1 28 28 PHE CB C 28 38.643 38.643 39.228 -0.585 19413 11385 1 14 . 1 1 28 28 PHE H H 28 11.199 11.199 8.195 3.004 19413 11386 1 14 . 1 1 29 29 TYR N N 29 115.582 115.582 116.465 -0.883 19413 11387 1 14 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.538 -0.169 19413 11388 1 14 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.948 0.897 19413 11389 1 14 . 1 1 29 29 TYR CB C 29 39.781 39.781 37.879 1.902 19413 11390 1 14 . 1 1 29 29 TYR H H 29 8.619 8.619 8.136 0.483 19413 11391 1 14 . 1 1 30 30 CYS N N 30 121.025 121.025 116.828 4.197 19413 11392 1 14 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.670 0.336 19413 11393 1 14 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.309 -2.849 19413 11394 1 14 . 1 1 30 30 CYS CB C 30 46.378 46.378 26.556 19.822 19413 11395 1 14 . 1 1 30 30 CYS H H 30 7.284 7.284 7.891 -0.607 19413 11396 1 14 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.517 0.560 19413 11397 1 14 . 1 1 31 31 PRO CA C 31 65.973 65.973 63.472 2.501 19413 11398 1 14 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.501 -0.292 19413 11399 1 14 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.205 0.399 19413 11400 1 14 . 1 1 32 32 HIS CA C 32 58.447 58.447 58.804 -0.358 19413 11401 1 14 . 1 1 32 32 HIS CB C 32 30.054 30.054 27.378 2.676 19413 11402 1 14 . 1 1 33 33 CYS N N 33 117.365 117.365 120.371 -3.006 19413 11403 1 14 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.118 0.421 19413 11404 1 14 . 1 1 33 33 CYS CA C 33 63.192 63.192 63.381 -0.189 19413 11405 1 14 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.210 7.633 19413 11406 1 14 . 1 1 33 33 CYS H H 33 8.921 8.921 8.229 0.692 19413 11407 1 14 . 1 1 34 34 TYR N N 34 123.491 123.491 120.479 3.012 19413 11408 1 14 . 1 1 34 34 TYR HA H 34 2.762 2.762 2.038 0.724 19413 11409 1 14 . 1 1 34 34 TYR CA C 34 60.433 60.433 60.235 0.198 19413 11410 1 14 . 1 1 34 34 TYR CB C 34 37.485 37.485 37.349 0.136 19413 11411 1 14 . 1 1 34 34 TYR H H 34 7.650 7.650 8.182 -0.532 19413 11412 1 14 . 1 1 35 35 GLN N N 35 118.639 118.639 116.875 1.764 19413 11413 1 14 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.988 -0.276 19413 11414 1 14 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.742 -0.332 19413 11415 1 14 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.069 -0.136 19413 11416 1 14 . 1 1 35 35 GLN H H 35 7.641 7.641 7.954 -0.313 19413 11417 1 14 . 1 1 36 36 PHE N N 36 121.254 121.254 118.035 3.219 19413 11418 1 14 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.161 -0.131 19413 11419 1 14 . 1 1 36 36 PHE CA C 36 60.801 60.801 61.600 -0.799 19413 11420 1 14 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.627 0.292 19413 11421 1 14 . 1 1 36 36 PHE H H 36 8.721 8.721 9.080 -0.359 19413 11422 1 14 . 1 1 37 37 GLU N N 37 116.279 116.279 116.522 -0.243 19413 11423 1 14 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.359 -0.032 19413 11424 1 14 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.735 1.049 19413 11425 1 14 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.872 -0.016 19413 11426 1 14 . 1 1 37 37 GLU H H 37 7.705 7.705 7.771 -0.066 19413 11427 1 14 . 1 1 38 38 GLU N N 38 112.285 112.285 115.548 -3.263 19413 11428 1 14 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.030 -0.024 19413 11429 1 14 . 1 1 38 38 GLU CA C 38 55.578 55.578 57.532 -1.954 19413 11430 1 14 . 1 1 38 38 GLU CB C 38 29.783 29.783 30.704 -0.921 19413 11431 1 14 . 1 1 38 38 GLU H H 38 7.870 7.870 8.214 -0.344 19413 11432 1 14 . 1 1 39 39 VAL N N 39 117.365 117.365 118.416 -1.051 19413 11433 1 14 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.078 -0.070 19413 11434 1 14 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.632 0.333 19413 11435 1 14 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.382 -1.022 19413 11436 1 14 . 1 1 39 39 VAL H H 39 6.850 6.850 7.520 -0.670 19413 11437 1 14 . 1 1 40 40 LEU N N 40 116.098 116.098 117.135 -1.037 19413 11438 1 14 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.097 -0.004 19413 11439 1 14 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.599 -0.499 19413 11440 1 14 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.047 1.066 19413 11441 1 14 . 1 1 40 40 LEU H H 40 8.171 8.171 8.039 0.132 19413 11442 1 14 . 1 1 41 41 HIS N N 41 111.930 111.930 115.030 -3.100 19413 11443 1 14 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.255 0.251 19413 11444 1 14 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.000 -1.533 19413 11445 1 14 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.969 -1.366 19413 11446 1 14 . 1 1 41 41 HIS H H 41 6.459 6.459 7.316 -0.857 19413 11447 1 14 . 1 1 42 42 VAL N N 42 120.465 120.465 119.983 0.482 19413 11448 1 14 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.535 -0.507 19413 11449 1 14 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.704 1.268 19413 11450 1 14 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.904 -0.018 19413 11451 1 14 . 1 1 42 42 VAL H H 42 8.621 8.621 8.269 0.352 19413 11452 1 14 . 1 1 43 43 SER N N 43 113.968 113.968 115.837 -1.869 19413 11453 1 14 . 1 1 43 43 SER HA H 43 4.002 4.002 4.016 -0.014 19413 11454 1 14 . 1 1 43 43 SER CA C 43 61.242 61.242 62.246 -1.004 19413 11455 1 14 . 1 1 43 43 SER CB C 43 62.565 62.565 63.096 -0.531 19413 11456 1 14 . 1 1 43 43 SER H H 43 8.040 8.040 8.377 -0.337 19413 11457 1 14 . 1 1 44 44 ASP N N 44 121.731 121.731 116.225 5.506 19413 11458 1 14 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.633 -0.219 19413 11459 1 14 . 1 1 44 44 ASP CA C 44 57.232 57.232 54.524 2.708 19413 11460 1 14 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.575 0.457 19413 11461 1 14 . 1 1 44 44 ASP H H 44 8.215 8.215 8.801 -0.586 19413 11462 1 14 . 1 1 45 45 ASN N N 45 118.906 118.906 117.863 1.043 19413 11463 1 14 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.705 -0.433 19413 11464 1 14 . 1 1 45 45 ASN CA C 45 57.322 57.322 55.611 1.710 19413 11465 1 14 . 1 1 45 45 ASN CB C 45 39.627 39.627 40.032 -0.406 19413 11466 1 14 . 1 1 45 45 ASN H H 45 7.860 7.860 7.775 0.085 19413 11467 1 14 . 1 1 46 46 VAL N N 46 119.934 119.934 120.749 -0.815 19413 11468 1 14 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.681 -0.216 19413 11469 1 14 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.872 -0.071 19413 11470 1 14 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.680 -0.331 19413 11471 1 14 . 1 1 46 46 VAL H H 46 8.583 8.583 8.562 0.021 19413 11472 1 14 . 1 1 47 47 ARG N N 47 119.655 119.655 120.249 -0.594 19413 11473 1 14 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.906 -0.085 19413 11474 1 14 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.804 -0.003 19413 11475 1 14 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.823 0.515 19413 11476 1 14 . 1 1 47 47 ARG H H 47 8.522 8.522 8.069 0.453 19413 11477 1 14 . 1 1 48 48 GLN N N 48 115.072 115.072 116.091 -1.019 19413 11478 1 14 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.178 -0.060 19413 11479 1 14 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.731 -0.002 19413 11480 1 14 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.607 0.403 19413 11481 1 14 . 1 1 48 48 GLN H H 48 7.605 7.605 7.895 -0.290 19413 11482 1 14 . 1 1 49 49 LYS N N 49 116.858 116.858 115.412 1.446 19413 11483 1 14 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.546 -0.124 19413 11484 1 14 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.413 -0.608 19413 11485 1 14 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.137 -0.489 19413 11486 1 14 . 1 1 49 49 LYS H H 49 7.460 7.460 8.007 -0.547 19413 11487 1 14 . 1 1 50 50 LEU N N 50 119.786 119.786 122.718 -2.932 19413 11488 1 14 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.541 -0.142 19413 11489 1 14 . 1 1 50 50 LEU CA C 50 52.928 52.928 52.925 0.003 19413 11490 1 14 . 1 1 50 50 LEU CB C 50 40.954 40.954 42.109 -1.155 19413 11491 1 14 . 1 1 50 50 LEU H H 50 7.215 7.215 7.285 -0.070 19413 11492 1 14 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.659 -0.183 19413 11493 1 14 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.103 0.168 19413 11494 1 14 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.417 -0.963 19413 11495 1 14 . 1 1 52 52 GLU N N 52 126.400 126.400 117.109 9.291 19413 11496 1 14 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.260 -0.160 19413 11497 1 14 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.370 0.745 19413 11498 1 14 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.862 0.474 19413 11499 1 14 . 1 1 52 52 GLU H H 52 8.935 8.935 8.534 0.401 19413 11500 1 14 . 1 1 53 53 GLY N N 53 113.671 113.671 108.426 5.245 19413 11501 1 14 . 1 1 53 53 GLY CA C 53 44.846 44.846 44.953 -0.106 19413 11502 1 14 . 1 1 53 53 GLY H H 53 8.948 8.948 7.972 0.976 19413 11503 1 14 . 1 1 54 54 THR N N 54 118.129 118.129 117.587 0.542 19413 11504 1 14 . 1 1 54 54 THR HA H 54 4.161 4.161 4.185 -0.024 19413 11505 1 14 . 1 1 54 54 THR CA C 54 63.707 63.707 63.669 0.038 19413 11506 1 14 . 1 1 54 54 THR CB C 54 68.784 68.784 69.277 -0.493 19413 11507 1 14 . 1 1 54 54 THR H H 54 7.696 7.696 7.433 0.263 19413 11508 1 14 . 1 1 55 55 LYS N N 55 129.892 129.892 129.613 0.279 19413 11509 1 14 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.589 -0.214 19413 11510 1 14 . 1 1 55 55 LYS CA C 55 55.835 55.835 54.559 1.276 19413 11511 1 14 . 1 1 55 55 LYS CB C 55 33.448 33.448 31.740 1.708 19413 11512 1 14 . 1 1 55 55 LYS H H 55 8.757 8.757 8.469 0.288 19413 11513 1 14 . 1 1 56 56 MET N N 56 125.391 125.391 120.306 5.085 19413 11514 1 14 . 1 1 56 56 MET HA H 56 5.258 5.258 4.213 1.045 19413 11515 1 14 . 1 1 56 56 MET CA C 56 54.436 54.436 58.871 -4.435 19413 11516 1 14 . 1 1 56 56 MET CB C 56 34.394 34.394 32.593 1.801 19413 11517 1 14 . 1 1 56 56 MET H H 56 8.512 8.512 8.189 0.323 19413 11518 1 14 . 1 1 57 57 THR N N 57 124.711 124.711 113.191 11.520 19413 11519 1 14 . 1 1 57 57 THR HA H 57 4.390 4.390 3.884 0.506 19413 11520 1 14 . 1 1 57 57 THR CA C 57 61.942 61.942 63.742 -1.800 19413 11521 1 14 . 1 1 57 57 THR CB C 57 70.952 70.952 68.707 2.245 19413 11522 1 14 . 1 1 57 57 THR H H 57 8.830 8.830 7.953 0.877 19413 11523 1 14 . 1 1 58 58 LYS N N 58 126.113 126.113 121.689 4.424 19413 11524 1 14 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.718 0.564 19413 11525 1 14 . 1 1 58 58 LYS CA C 58 54.501 54.501 56.511 -2.010 19413 11526 1 14 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.450 0.967 19413 11527 1 14 . 1 1 58 58 LYS H H 58 8.739 8.739 8.534 0.205 19413 11528 1 14 . 1 1 59 59 TYR N N 59 127.472 127.472 124.585 2.887 19413 11529 1 14 . 1 1 59 59 TYR HA H 59 5.626 5.626 5.197 0.429 19413 11530 1 14 . 1 1 59 59 TYR CA C 59 51.825 51.825 56.083 -4.258 19413 11531 1 14 . 1 1 59 59 TYR CB C 59 40.685 40.685 41.569 -0.884 19413 11532 1 14 . 1 1 59 59 TYR H H 59 9.524 9.524 8.291 1.233 19413 11533 1 14 . 1 1 60 60 HIS N N 60 123.656 123.656 119.748 3.908 19413 11534 1 14 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.804 -0.420 19413 11535 1 14 . 1 1 60 60 HIS CA C 60 55.467 55.467 54.288 1.179 19413 11536 1 14 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.461 -0.642 19413 11537 1 14 . 1 1 60 60 HIS H H 60 9.284 9.284 8.638 0.646 19413 11538 1 14 . 1 1 61 61 VAL N N 61 112.397 112.397 122.412 -10.015 19413 11539 1 14 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.414 0.323 19413 11540 1 14 . 1 1 61 61 VAL CA C 61 58.079 58.079 60.233 -2.154 19413 11541 1 14 . 1 1 61 61 VAL CB C 61 33.885 33.885 33.523 0.362 19413 11542 1 14 . 1 1 61 61 VAL H H 61 6.262 6.262 7.227 -0.965 19413 11543 1 14 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.433 -0.392 19413 11544 1 14 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.392 -0.064 19413 11545 1 14 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.807 -0.055 19413 11546 1 14 . 1 1 63 63 PHE N N 63 111.215 111.215 119.745 -8.530 19413 11547 1 14 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.508 0.063 19413 11548 1 14 . 1 1 63 63 PHE CA C 63 57.709 57.709 58.285 -0.576 19413 11549 1 14 . 1 1 63 63 PHE CB C 63 37.605 37.605 38.793 -1.188 19413 11550 1 14 . 1 1 63 63 PHE H H 63 6.419 6.419 7.974 -1.555 19413 11551 1 14 . 1 1 64 64 LEU N N 64 119.701 119.701 120.454 -0.753 19413 11552 1 14 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.302 0.393 19413 11553 1 14 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.029 -0.217 19413 11554 1 14 . 1 1 64 64 LEU CB C 64 44.338 44.338 44.273 0.065 19413 11555 1 14 . 1 1 64 64 LEU H H 64 6.396 6.396 7.153 -0.757 19413 11556 1 14 . 1 1 65 65 GLY N N 65 108.957 108.957 109.919 -0.962 19413 11557 1 14 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.610 -0.432 19413 11558 1 14 . 1 1 65 65 GLY H H 65 8.084 8.084 8.044 0.040 19413 11559 1 14 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.216 0.195 19413 11560 1 14 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.973 0.022 19413 11561 1 14 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.029 -0.238 19413 11562 1 14 . 1 1 67 67 LEU N N 67 114.479 114.479 117.613 -3.134 19413 11563 1 14 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.693 0.774 19413 11564 1 14 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.081 -1.188 19413 11565 1 14 . 1 1 67 67 LEU CB C 67 40.438 40.438 41.226 -0.788 19413 11566 1 14 . 1 1 67 67 LEU H H 67 7.484 7.484 8.138 -0.654 19413 11567 1 14 . 1 1 68 68 GLY N N 68 108.957 108.957 109.447 -0.490 19413 11568 1 14 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.502 2.005 19413 11569 1 14 . 1 1 68 68 GLY H H 68 7.659 7.659 7.966 -0.307 19413 11570 1 14 . 1 1 69 69 LYS N N 69 124.459 124.459 120.620 3.839 19413 11571 1 14 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.093 -0.047 19413 11572 1 14 . 1 1 69 69 LYS CA C 69 61.036 61.036 59.595 1.441 19413 11573 1 14 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.089 -0.497 19413 11574 1 14 . 1 1 69 69 LYS H H 69 9.149 9.149 8.390 0.759 19413 11575 1 14 . 1 1 70 70 ASP N N 70 122.631 122.631 120.504 2.127 19413 11576 1 14 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.676 0.039 19413 11577 1 14 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.340 0.555 19413 11578 1 14 . 1 1 70 70 ASP CB C 70 42.157 42.157 41.251 0.906 19413 11579 1 14 . 1 1 70 70 ASP H H 70 8.519 8.519 7.730 0.789 19413 11580 1 14 . 1 1 71 71 LEU N N 71 119.276 119.276 121.336 -2.060 19413 11581 1 14 . 1 1 71 71 LEU HA H 71 4.237 4.237 4.098 0.139 19413 11582 1 14 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.535 -1.258 19413 11583 1 14 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.967 1.110 19413 11584 1 14 . 1 1 71 71 LEU H H 71 9.421 9.421 8.797 0.624 19413 11585 1 14 . 1 1 72 72 THR N N 72 119.204 119.204 115.709 3.495 19413 11586 1 14 . 1 1 72 72 THR HA H 72 4.033 4.033 3.923 0.110 19413 11587 1 14 . 1 1 72 72 THR CA C 72 67.403 67.403 67.186 0.217 19413 11588 1 14 . 1 1 72 72 THR CB C 72 68.170 68.170 68.785 -0.616 19413 11589 1 14 . 1 1 72 72 THR H H 72 7.762 7.762 8.321 -0.559 19413 11590 1 14 . 1 1 73 73 GLN N N 73 125.845 125.845 121.055 4.790 19413 11591 1 14 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.720 -0.057 19413 11592 1 14 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.488 0.915 19413 11593 1 14 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.190 -2.631 19413 11594 1 14 . 1 1 73 73 GLN H H 73 7.822 7.822 7.702 0.120 19413 11595 1 14 . 1 1 74 74 ALA N N 74 123.013 123.013 122.203 0.810 19413 11596 1 14 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.129 0.004 19413 11597 1 14 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.885 0.019 19413 11598 1 14 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.267 0.883 19413 11599 1 14 . 1 1 74 74 ALA H H 74 8.966 8.966 8.371 0.595 19413 11600 1 14 . 1 1 75 75 TRP N N 75 120.717 120.717 120.591 0.126 19413 11601 1 14 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.310 0.589 19413 11602 1 14 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.344 -1.272 19413 11603 1 14 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.833 -0.242 19413 11604 1 14 . 1 1 75 75 TRP H H 75 8.932 8.932 8.027 0.905 19413 11605 1 14 . 1 1 76 76 ALA N N 76 119.394 119.394 120.673 -1.279 19413 11606 1 14 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.851 0.124 19413 11607 1 14 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.153 -0.275 19413 11608 1 14 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.011 2.154 19413 11609 1 14 . 1 1 76 76 ALA H H 76 7.650 7.650 7.814 -0.164 19413 11610 1 14 . 1 1 77 77 VAL N N 77 119.658 119.658 119.201 0.457 19413 11611 1 14 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.492 -0.268 19413 11612 1 14 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.488 0.420 19413 11613 1 14 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.405 -1.288 19413 11614 1 14 . 1 1 77 77 VAL H H 77 8.074 8.074 7.455 0.619 19413 11615 1 14 . 1 1 78 78 ALA N N 78 121.951 121.951 122.773 -0.822 19413 11616 1 14 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.131 -0.107 19413 11617 1 14 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.083 -0.242 19413 11618 1 14 . 1 1 78 78 ALA CB C 78 17.499 17.499 17.986 -0.487 19413 11619 1 14 . 1 1 78 78 ALA H H 78 8.421 8.421 7.410 1.011 19413 11620 1 14 . 1 1 79 79 ILE N N 79 118.384 118.384 118.426 -0.042 19413 11621 1 14 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.846 -0.230 19413 11622 1 14 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.439 -0.455 19413 11623 1 14 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.825 0.371 19413 11624 1 14 . 1 1 79 79 ILE H H 79 8.122 8.122 8.140 -0.018 19413 11625 1 14 . 1 1 80 80 ALA N N 80 124.708 124.708 121.564 3.144 19413 11626 1 14 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.093 -0.115 19413 11627 1 14 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.649 0.266 19413 11628 1 14 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.901 -0.796 19413 11629 1 14 . 1 1 80 80 ALA H H 80 8.694 8.694 7.752 0.942 19413 11630 1 14 . 1 1 81 81 LEU N N 81 114.303 114.303 118.006 -3.703 19413 11631 1 14 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.295 0.085 19413 11632 1 14 . 1 1 81 81 LEU CA C 81 54.582 54.582 55.008 -0.426 19413 11633 1 14 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.685 0.527 19413 11634 1 14 . 1 1 81 81 LEU H H 81 8.469 8.469 7.670 0.799 19413 11635 1 14 . 1 1 82 82 GLY N N 82 112.196 112.196 108.541 3.655 19413 11636 1 14 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.783 1.175 19413 11637 1 14 . 1 1 82 82 GLY H H 82 7.955 7.955 7.770 0.185 19413 11638 1 14 . 1 1 83 83 VAL N N 83 109.426 109.426 113.097 -3.671 19413 11639 1 14 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.395 0.526 19413 11640 1 14 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.642 -1.460 19413 11641 1 14 . 1 1 83 83 VAL CB C 83 31.441 31.441 33.025 -1.584 19413 11642 1 14 . 1 1 83 83 VAL H H 83 8.267 8.267 8.022 0.245 19413 11643 1 14 . 1 1 84 84 GLU N N 84 127.081 127.081 123.998 3.083 19413 11644 1 14 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.798 -0.214 19413 11645 1 14 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.342 1.014 19413 11646 1 14 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.404 0.566 19413 11647 1 14 . 1 1 84 84 GLU H H 84 10.566 10.566 8.708 1.858 19413 11648 1 14 . 1 1 85 85 ASP N N 85 117.467 117.467 116.182 1.285 19413 11649 1 14 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.676 -0.089 19413 11650 1 14 . 1 1 85 85 ASP CA C 85 56.279 56.279 55.654 0.625 19413 11651 1 14 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.405 -0.673 19413 11652 1 14 . 1 1 85 85 ASP H H 85 8.946 8.946 8.782 0.164 19413 11653 1 14 . 1 1 86 86 LYS N N 86 119.121 119.121 118.476 0.645 19413 11654 1 14 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.286 0.133 19413 11655 1 14 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.354 -0.175 19413 11656 1 14 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.270 0.156 19413 11657 1 14 . 1 1 86 86 LYS H H 86 7.745 7.745 7.710 0.035 19413 11658 1 14 . 1 1 87 87 ILE N N 87 108.193 108.193 113.161 -4.968 19413 11659 1 14 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.430 -0.192 19413 11660 1 14 . 1 1 87 87 ILE CA C 87 59.320 59.320 59.873 -0.554 19413 11661 1 14 . 1 1 87 87 ILE CB C 87 40.000 40.000 37.867 2.133 19413 11662 1 14 . 1 1 87 87 ILE H H 87 7.343 7.343 7.842 -0.499 19413 11663 1 14 . 1 1 88 88 THR N N 88 119.455 119.455 116.966 2.489 19413 11664 1 14 . 1 1 88 88 THR HA H 88 4.053 4.053 4.552 -0.499 19413 11665 1 14 . 1 1 88 88 THR CA C 88 69.780 69.780 65.512 4.268 19413 11666 1 14 . 1 1 88 88 THR CB C 88 68.491 68.491 69.981 -1.490 19413 11667 1 14 . 1 1 88 88 THR H H 88 7.746 7.746 8.221 -0.475 19413 11668 1 14 . 1 1 89 89 ALA N N 89 123.122 123.122 124.640 -1.518 19413 11669 1 14 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.268 0.332 19413 11670 1 14 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.653 0.638 19413 11671 1 14 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.541 -1.343 19413 11672 1 14 . 1 1 89 89 ALA H H 89 9.125 9.125 8.903 0.222 19413 11673 1 14 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.417 -0.001 19413 11674 1 14 . 1 1 90 90 PRO CA C 90 65.221 65.221 64.623 0.598 19413 11675 1 14 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.389 0.022 19413 11676 1 14 . 1 1 91 91 MET N N 91 119.468 119.468 117.980 1.488 19413 11677 1 14 . 1 1 91 91 MET HA H 91 4.370 4.370 3.819 0.551 19413 11678 1 14 . 1 1 91 91 MET CA C 91 56.901 56.901 57.148 -0.247 19413 11679 1 14 . 1 1 91 91 MET CB C 91 30.059 30.059 31.056 -0.997 19413 11680 1 14 . 1 1 91 91 MET H H 91 8.176 8.176 7.768 0.408 19413 11681 1 14 . 1 1 92 92 PHE N N 92 120.720 120.720 117.825 2.895 19413 11682 1 14 . 1 1 92 92 PHE HA H 92 4.518 4.518 3.950 0.568 19413 11683 1 14 . 1 1 92 92 PHE CA C 92 63.883 63.883 61.583 2.300 19413 11684 1 14 . 1 1 92 92 PHE CB C 92 39.324 39.324 37.666 1.658 19413 11685 1 14 . 1 1 92 92 PHE H H 92 8.650 8.650 7.809 0.841 19413 11686 1 14 . 1 1 93 93 GLU N N 93 117.705 117.705 118.746 -1.041 19413 11687 1 14 . 1 1 93 93 GLU HA H 93 4.066 4.066 3.987 0.079 19413 11688 1 14 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.542 -0.140 19413 11689 1 14 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.635 0.007 19413 11690 1 14 . 1 1 93 93 GLU H H 93 8.240 8.240 8.142 0.098 19413 11691 1 14 . 1 1 94 94 ALA N N 94 123.067 123.067 120.044 3.023 19413 11692 1 14 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.464 -0.013 19413 11693 1 14 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.170 -0.175 19413 11694 1 14 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.254 -0.251 19413 11695 1 14 . 1 1 94 94 ALA H H 94 8.431 8.431 7.590 0.841 19413 11696 1 14 . 1 1 95 95 VAL N N 95 115.582 115.582 115.113 0.469 19413 11697 1 14 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.780 -0.058 19413 11698 1 14 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.166 1.638 19413 11699 1 14 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.330 -0.591 19413 11700 1 14 . 1 1 95 95 VAL H H 95 8.467 8.467 7.334 1.133 19413 11701 1 14 . 1 1 96 96 GLN N N 96 113.295 113.295 117.103 -3.808 19413 11702 1 14 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.449 0.102 19413 11703 1 14 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.043 1.183 19413 11704 1 14 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.748 -0.069 19413 11705 1 14 . 1 1 96 96 GLN H H 96 8.184 8.184 8.079 0.105 19413 11706 1 14 . 1 1 97 97 LYS N N 97 118.621 118.621 120.531 -1.910 19413 11707 1 14 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.279 0.408 19413 11708 1 14 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.895 -1.736 19413 11709 1 14 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.160 -0.618 19413 11710 1 14 . 1 1 97 97 LYS H H 97 8.231 8.231 7.871 0.360 19413 11711 1 14 . 1 1 98 98 THR N N 98 110.486 110.486 107.472 3.014 19413 11712 1 14 . 1 1 98 98 THR HA H 98 4.285 4.285 4.361 -0.076 19413 11713 1 14 . 1 1 98 98 THR CA C 98 62.420 62.420 62.084 0.336 19413 11714 1 14 . 1 1 98 98 THR CB C 98 68.343 68.343 70.610 -2.267 19413 11715 1 14 . 1 1 98 98 THR H H 98 8.612 8.612 8.115 0.497 19413 11716 1 14 . 1 1 99 99 GLN N N 99 115.751 115.751 117.130 -1.379 19413 11717 1 14 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.137 0.048 19413 11718 1 14 . 1 1 99 99 GLN CA C 99 56.986 56.986 56.930 0.056 19413 11719 1 14 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.334 -0.711 19413 11720 1 14 . 1 1 99 99 GLN H H 99 6.979 6.979 7.950 -0.971 19413 11721 1 14 . 1 1 100 100 THR N N 100 108.660 108.660 112.669 -4.009 19413 11722 1 14 . 1 1 100 100 THR HA H 100 4.350 4.350 4.209 0.141 19413 11723 1 14 . 1 1 100 100 THR CA C 100 61.035 61.035 63.710 -2.675 19413 11724 1 14 . 1 1 100 100 THR CB C 100 68.306 68.306 69.351 -1.045 19413 11725 1 14 . 1 1 100 100 THR H H 100 8.362 8.362 7.711 0.651 19413 11726 1 14 . 1 1 101 101 VAL N N 101 121.417 121.417 123.071 -1.654 19413 11727 1 14 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.713 0.480 19413 11728 1 14 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.331 -2.364 19413 11729 1 14 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.526 -0.177 19413 11730 1 14 . 1 1 101 101 VAL H H 101 7.376 7.376 7.704 -0.328 19413 11731 1 14 . 1 1 102 102 GLN N N 102 127.472 127.472 124.656 2.816 19413 11732 1 14 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.584 -0.020 19413 11733 1 14 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.679 -0.563 19413 11734 1 14 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.127 -1.359 19413 11735 1 14 . 1 1 102 102 GLN H H 102 9.583 9.583 8.466 1.117 19413 11736 1 14 . 1 1 103 103 SER N N 103 116.698 116.698 115.101 1.597 19413 11737 1 14 . 1 1 103 103 SER HA H 103 4.883 4.883 4.809 0.074 19413 11738 1 14 . 1 1 103 103 SER CA C 103 56.423 56.423 57.165 -0.742 19413 11739 1 14 . 1 1 103 103 SER CB C 103 66.834 66.834 65.828 1.006 19413 11740 1 14 . 1 1 103 103 SER H H 103 8.539 8.539 8.268 0.271 19413 11741 1 14 . 1 1 104 104 VAL N N 104 120.375 120.375 122.905 -2.530 19413 11742 1 14 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.591 0.149 19413 11743 1 14 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.335 -0.579 19413 11744 1 14 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.413 -0.484 19413 11745 1 14 . 1 1 104 104 VAL H H 104 8.929 8.929 8.618 0.311 19413 11746 1 14 . 1 1 105 105 ALA N N 105 125.255 125.255 120.981 4.274 19413 11747 1 14 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.952 0.048 19413 11748 1 14 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.803 0.103 19413 11749 1 14 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.667 0.386 19413 11750 1 14 . 1 1 105 105 ALA H H 105 8.099 8.099 8.322 -0.223 19413 11751 1 14 . 1 1 106 106 ASP N N 106 118.317 118.317 117.361 0.956 19413 11752 1 14 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.599 -0.224 19413 11753 1 14 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.463 0.201 19413 11754 1 14 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.288 1.479 19413 11755 1 14 . 1 1 106 106 ASP H H 106 7.603 7.603 8.163 -0.560 19413 11756 1 14 . 1 1 107 107 ILE N N 107 120.210 120.210 120.072 0.138 19413 11757 1 14 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.867 -0.536 19413 11758 1 14 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.388 1.221 19413 11759 1 14 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.009 -0.119 19413 11760 1 14 . 1 1 107 107 ILE H H 107 7.342 7.342 7.164 0.178 19413 11761 1 14 . 1 1 108 108 ARG N N 108 119.234 119.234 119.096 0.138 19413 11762 1 14 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.160 -0.363 19413 11763 1 14 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.888 -0.232 19413 11764 1 14 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.865 0.977 19413 11765 1 14 . 1 1 108 108 ARG H H 108 6.677 6.677 8.178 -1.502 19413 11766 1 14 . 1 1 109 109 LYS N N 109 117.662 117.662 120.079 -2.417 19413 11767 1 14 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.953 -0.107 19413 11768 1 14 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.630 -0.411 19413 11769 1 14 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.042 -0.068 19413 11770 1 14 . 1 1 109 109 LYS H H 109 7.164 7.164 7.674 -0.510 19413 11771 1 14 . 1 1 110 110 VAL N N 110 118.257 118.257 118.674 -0.417 19413 11772 1 14 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.651 -0.010 19413 11773 1 14 . 1 1 110 110 VAL CA C 110 66.062 66.062 65.863 0.199 19413 11774 1 14 . 1 1 110 110 VAL CB C 110 31.224 31.224 30.875 0.349 19413 11775 1 14 . 1 1 110 110 VAL H H 110 7.269 7.269 7.551 -0.282 19413 11776 1 14 . 1 1 111 111 PHE N N 111 118.699 118.699 119.009 -0.310 19413 11777 1 14 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.140 -0.230 19413 11778 1 14 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.714 -1.234 19413 11779 1 14 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.202 0.221 19413 11780 1 14 . 1 1 111 111 PHE H H 111 7.411 7.411 7.554 -0.143 19413 11781 1 14 . 1 1 112 112 VAL N N 112 121.527 121.527 120.395 1.132 19413 11782 1 14 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.937 0.674 19413 11783 1 14 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.870 -1.151 19413 11784 1 14 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.370 0.001 19413 11785 1 14 . 1 1 112 112 VAL H H 112 8.424 8.424 7.762 0.662 19413 11786 1 14 . 1 1 113 113 ASP N N 113 124.032 124.032 119.995 4.037 19413 11787 1 14 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.402 0.045 19413 11788 1 14 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.908 -0.230 19413 11789 1 14 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.624 -1.344 19413 11790 1 14 . 1 1 113 113 ASP H H 113 9.048 9.048 8.211 0.837 19413 11791 1 14 . 1 1 114 114 ALA N N 114 121.399 121.399 119.650 1.749 19413 11792 1 14 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.286 0.181 19413 11793 1 14 . 1 1 114 114 ALA CA C 114 51.878 51.878 53.292 -1.414 19413 11794 1 14 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.253 -0.640 19413 11795 1 14 . 1 1 114 114 ALA H H 114 7.505 7.505 7.876 -0.371 19413 11796 1 14 . 1 1 115 115 GLY N N 115 105.755 105.755 103.933 1.822 19413 11797 1 14 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.414 0.689 19413 11798 1 14 . 1 1 115 115 GLY H H 115 7.895 7.895 7.234 0.661 19413 11799 1 14 . 1 1 116 116 VAL N N 116 124.542 124.542 121.057 3.485 19413 11800 1 14 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.023 -0.003 19413 11801 1 14 . 1 1 116 116 VAL CA C 116 61.601 61.601 62.999 -1.398 19413 11802 1 14 . 1 1 116 116 VAL CB C 116 31.739 31.739 32.674 -0.935 19413 11803 1 14 . 1 1 116 116 VAL H H 116 8.095 8.095 7.829 0.266 19413 11804 1 14 . 1 1 117 117 LYS N N 117 128.363 128.363 127.013 1.350 19413 11805 1 14 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.296 -0.113 19413 11806 1 14 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.002 0.083 19413 11807 1 14 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.368 -1.556 19413 11808 1 14 . 1 1 117 117 LYS H H 117 9.102 9.102 8.540 0.562 19413 11809 1 14 . 1 1 118 118 GLY N N 118 116.049 116.049 111.082 4.967 19413 11810 1 14 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.310 1.358 19413 11811 1 14 . 1 1 118 118 GLY H H 118 9.300 9.300 8.775 0.525 19413 11812 1 14 . 1 1 119 119 GLU N N 119 118.512 118.512 119.051 -0.539 19413 11813 1 14 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.335 -0.109 19413 11814 1 14 . 1 1 119 119 GLU CA C 119 59.523 59.523 57.264 2.259 19413 11815 1 14 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.907 -1.095 19413 11816 1 14 . 1 1 119 119 GLU H H 119 9.501 9.501 8.194 1.307 19413 11817 1 14 . 1 1 120 120 ASP N N 120 121.262 121.262 120.312 0.950 19413 11818 1 14 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.546 0.033 19413 11819 1 14 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.092 0.467 19413 11820 1 14 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.213 -1.581 19413 11821 1 14 . 1 1 120 120 ASP H H 120 7.088 7.088 7.618 -0.530 19413 11822 1 14 . 1 1 121 121 TYR N N 121 123.619 123.619 121.042 2.577 19413 11823 1 14 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.047 -0.325 19413 11824 1 14 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.614 -0.463 19413 11825 1 14 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.455 -0.453 19413 11826 1 14 . 1 1 121 121 TYR H H 121 7.986 7.986 7.752 0.234 19413 11827 1 14 . 1 1 122 122 ASP N N 122 119.702 119.702 117.544 2.158 19413 11828 1 14 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.499 -0.245 19413 11829 1 14 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.510 0.613 19413 11830 1 14 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.118 -0.507 19413 11831 1 14 . 1 1 122 122 ASP H H 122 8.812 8.812 8.776 0.036 19413 11832 1 14 . 1 1 123 123 ALA N N 123 121.138 121.138 122.119 -0.981 19413 11833 1 14 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.226 -0.000 19413 11834 1 14 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.607 -0.377 19413 11835 1 14 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.097 -0.971 19413 11836 1 14 . 1 1 123 123 ALA H H 123 7.696 7.696 7.622 0.074 19413 11837 1 14 . 1 1 124 124 ALA N N 124 120.299 120.299 122.352 -2.053 19413 11838 1 14 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.071 0.035 19413 11839 1 14 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.749 -0.423 19413 11840 1 14 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.147 0.418 19413 11841 1 14 . 1 1 124 124 ALA H H 124 7.935 7.935 8.274 -0.339 19413 11842 1 14 . 1 1 125 125 TRP N N 125 121.357 121.357 119.904 1.453 19413 11843 1 14 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.180 -0.704 19413 11844 1 14 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.523 0.940 19413 11845 1 14 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.369 -0.991 19413 11846 1 14 . 1 1 125 125 TRP H H 125 8.948 8.948 8.509 0.439 19413 11847 1 14 . 1 1 126 126 ASN N N 126 110.817 110.817 113.078 -2.261 19413 11848 1 14 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.705 0.138 19413 11849 1 14 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.664 -0.142 19413 11850 1 14 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.470 0.600 19413 11851 1 14 . 1 1 126 126 ASN H H 126 7.024 7.024 7.839 -0.815 19413 11852 1 14 . 1 1 127 127 SER N N 127 116.650 116.650 116.228 0.422 19413 11853 1 14 . 1 1 127 127 SER HA H 127 4.472 4.472 4.510 -0.038 19413 11854 1 14 . 1 1 127 127 SER CA C 127 58.535 58.535 57.386 1.149 19413 11855 1 14 . 1 1 127 127 SER CB C 127 65.513 65.513 64.854 0.659 19413 11856 1 14 . 1 1 127 127 SER H H 127 7.831 7.831 7.841 -0.010 19413 11857 1 14 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.241 0.037 19413 11858 1 14 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.246 -0.191 19413 11859 1 14 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.227 -0.860 19413 11860 1 14 . 1 1 129 129 VAL N N 129 120.058 120.058 118.745 1.313 19413 11861 1 14 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.609 0.105 19413 11862 1 14 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.564 -0.892 19413 11863 1 14 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.468 0.310 19413 11864 1 14 . 1 1 129 129 VAL H H 129 8.340 8.340 7.581 0.759 19413 11865 1 14 . 1 1 130 130 VAL N N 130 122.552 122.552 119.264 3.288 19413 11866 1 14 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.527 -0.016 19413 11867 1 14 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.606 0.228 19413 11868 1 14 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.038 0.186 19413 11869 1 14 . 1 1 130 130 VAL H H 130 7.163 7.163 7.747 -0.584 19413 11870 1 14 . 1 1 131 131 LYS N N 131 122.079 122.079 119.675 2.404 19413 11871 1 14 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.694 0.062 19413 11872 1 14 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.095 0.639 19413 11873 1 14 . 1 1 131 131 LYS CB C 131 31.518 31.518 30.984 0.534 19413 11874 1 14 . 1 1 131 131 LYS H H 131 7.852 7.852 7.740 0.112 19413 11875 1 14 . 1 1 132 132 SER N N 132 115.836 115.836 114.967 0.869 19413 11876 1 14 . 1 1 132 132 SER HA H 132 4.155 4.155 4.150 0.005 19413 11877 1 14 . 1 1 132 132 SER CA C 132 61.022 61.022 61.532 -0.510 19413 11878 1 14 . 1 1 132 132 SER CB C 132 62.309 62.309 62.885 -0.576 19413 11879 1 14 . 1 1 132 132 SER H H 132 8.258 8.258 8.172 0.086 19413 11880 1 14 . 1 1 133 133 LEU N N 133 124.754 124.754 122.754 2.000 19413 11881 1 14 . 1 1 133 133 LEU HA H 133 4.197 4.197 4.002 0.196 19413 11882 1 14 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.868 -0.304 19413 11883 1 14 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.982 2.179 19413 11884 1 14 . 1 1 133 133 LEU H H 133 8.140 8.140 7.890 0.250 19413 11885 1 14 . 1 1 134 134 VAL N N 134 123.461 123.461 119.985 3.476 19413 11886 1 14 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.460 -0.179 19413 11887 1 14 . 1 1 134 134 VAL CA C 134 68.857 68.857 67.001 1.856 19413 11888 1 14 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.067 -0.211 19413 11889 1 14 . 1 1 134 134 VAL H H 134 8.718 8.718 8.371 0.347 19413 11890 1 14 . 1 1 135 135 ALA N N 135 121.739 121.739 121.103 0.636 19413 11891 1 14 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.879 0.285 19413 11892 1 14 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.157 -0.228 19413 11893 1 14 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.156 -0.730 19413 11894 1 14 . 1 1 135 135 ALA H H 135 7.513 7.513 8.098 -0.585 19413 11895 1 14 . 1 1 136 136 GLN N N 136 119.033 119.033 118.164 0.869 19413 11896 1 14 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.943 0.133 19413 11897 1 14 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.376 -0.267 19413 11898 1 14 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.737 0.348 19413 11899 1 14 . 1 1 136 136 GLN H H 136 8.473 8.473 8.360 0.113 19413 11900 1 14 . 1 1 137 137 GLN N N 137 119.734 119.734 119.409 0.325 19413 11901 1 14 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.219 -0.707 19413 11902 1 14 . 1 1 137 137 GLN CA C 137 59.882 59.882 59.196 0.686 19413 11903 1 14 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.732 2.111 19413 11904 1 14 . 1 1 137 137 GLN H H 137 7.995 7.995 8.293 -0.298 19413 11905 1 14 . 1 1 138 138 GLU N N 138 121.309 121.309 118.066 3.243 19413 11906 1 14 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.098 -0.163 19413 11907 1 14 . 1 1 138 138 GLU CA C 138 58.977 58.977 58.896 0.081 19413 11908 1 14 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.487 -0.522 19413 11909 1 14 . 1 1 138 138 GLU H H 138 8.291 8.291 8.497 -0.206 19413 11910 1 14 . 1 1 139 139 LYS N N 139 122.121 122.121 119.666 2.455 19413 11911 1 14 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.242 -0.125 19413 11912 1 14 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.627 0.297 19413 11913 1 14 . 1 1 139 139 LYS CB C 139 32.592 32.592 33.087 -0.496 19413 11914 1 14 . 1 1 139 139 LYS H H 139 8.603 8.603 7.916 0.687 19413 11915 1 14 . 1 1 140 140 ALA N N 140 120.286 120.286 120.610 -0.324 19413 11916 1 14 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.348 0.062 19413 11917 1 14 . 1 1 140 140 ALA CA C 140 55.063 55.063 54.334 0.729 19413 11918 1 14 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.564 -0.118 19413 11919 1 14 . 1 1 140 140 ALA H H 140 8.140 8.140 8.421 -0.281 19413 11920 1 14 . 1 1 141 141 ALA N N 141 116.994 116.994 117.149 -0.155 19413 11921 1 14 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.322 -0.674 19413 11922 1 14 . 1 1 141 141 ALA CA C 141 54.515 54.515 51.917 2.598 19413 11923 1 14 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.198 -2.197 19413 11924 1 14 . 1 1 141 141 ALA H H 141 7.251 7.251 7.698 -0.447 19413 11925 1 14 . 1 1 142 142 ALA N N 142 121.272 121.272 120.299 0.973 19413 11926 1 14 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.419 -0.235 19413 11927 1 14 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.131 2.526 19413 11928 1 14 . 1 1 142 142 ALA CB C 142 18.217 18.217 19.945 -1.728 19413 11929 1 14 . 1 1 142 142 ALA H H 142 7.940 7.940 7.728 0.212 19413 11930 1 14 . 1 1 143 143 ASP N N 143 121.599 121.599 120.844 0.755 19413 11931 1 14 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.373 -0.037 19413 11932 1 14 . 1 1 143 143 ASP CA C 143 56.975 56.975 57.142 -0.167 19413 11933 1 14 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.413 -1.378 19413 11934 1 14 . 1 1 143 143 ASP H H 143 9.272 9.272 8.482 0.790 19413 11935 1 14 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.445 -0.334 19413 11936 1 14 . 1 1 144 144 LEU CA C 144 54.547 54.547 56.083 -1.536 19413 11937 1 14 . 1 1 144 144 LEU CB C 144 41.055 41.055 41.202 -0.147 19413 11938 1 14 . 1 1 145 145 GLN N N 145 116.940 116.940 118.293 -1.353 19413 11939 1 14 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.139 -0.387 19413 11940 1 14 . 1 1 145 145 GLN CA C 145 55.823 55.823 57.051 -1.228 19413 11941 1 14 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.854 -2.722 19413 11942 1 14 . 1 1 145 145 GLN H H 145 7.750 7.750 8.271 -0.521 19413 11943 1 14 . 1 1 146 146 LEU N N 146 119.399 119.399 117.429 1.970 19413 11944 1 14 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.544 -0.658 19413 11945 1 14 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.241 1.072 19413 11946 1 14 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.800 -0.658 19413 11947 1 14 . 1 1 146 146 LEU H H 146 7.516 7.516 7.510 0.006 19413 11948 1 14 . 1 1 147 147 GLN N N 147 123.118 123.118 121.244 1.874 19413 11949 1 14 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.398 -0.251 19413 11950 1 14 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.038 -0.171 19413 11951 1 14 . 1 1 147 147 GLN CB C 147 30.525 30.525 30.513 0.012 19413 11952 1 14 . 1 1 147 147 GLN H H 147 8.895 8.895 8.348 0.547 19413 11953 1 14 . 1 1 148 148 GLY N N 148 106.555 106.555 108.720 -2.165 19413 11954 1 14 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.303 0.801 19413 11955 1 14 . 1 1 148 148 GLY H H 148 7.275 7.275 7.974 -0.699 19413 11956 1 14 . 1 1 149 149 VAL N N 149 110.030 110.030 117.856 -7.826 19413 11957 1 14 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.662 -0.191 19413 11958 1 14 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.373 -0.737 19413 11959 1 14 . 1 1 149 149 VAL CB C 149 34.682 34.682 34.147 0.535 19413 11960 1 14 . 1 1 149 149 VAL H H 149 8.267 8.267 8.448 -0.181 19413 11961 1 14 . 1 1 150 150 PRO HA H 150 4.810 4.810 5.025 -0.215 19413 11962 1 14 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.613 -0.469 19413 11963 1 14 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.452 2.474 19413 11964 1 14 . 1 1 151 151 ALA N N 151 123.567 123.567 122.676 0.891 19413 11965 1 14 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.765 0.120 19413 11966 1 14 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.514 0.111 19413 11967 1 14 . 1 1 151 151 ALA CB C 151 24.847 24.847 23.084 1.763 19413 11968 1 14 . 1 1 151 151 ALA H H 151 8.249 8.249 8.792 -0.543 19413 11969 1 14 . 1 1 152 152 MET N N 152 121.866 121.866 121.902 -0.036 19413 11970 1 14 . 1 1 152 152 MET HA H 152 5.724 5.724 5.317 0.407 19413 11971 1 14 . 1 1 152 152 MET CA C 152 55.487 55.487 55.333 0.154 19413 11972 1 14 . 1 1 152 152 MET CB C 152 36.830 36.830 36.623 0.207 19413 11973 1 14 . 1 1 152 152 MET H H 152 8.610 8.610 8.639 -0.029 19413 11974 1 14 . 1 1 153 153 TYR N N 153 124.782 124.782 124.694 0.088 19413 11975 1 14 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.069 0.685 19413 11976 1 14 . 1 1 153 153 TYR CA C 153 56.208 56.208 58.425 -2.217 19413 11977 1 14 . 1 1 153 153 TYR CB C 153 42.990 42.990 40.487 2.503 19413 11978 1 14 . 1 1 153 153 TYR H H 153 9.685 9.685 8.718 0.967 19413 11979 1 14 . 1 1 154 154 VAL N N 154 121.914 121.914 117.745 4.169 19413 11980 1 14 . 1 1 154 154 VAL CB C 154 34.660 34.660 36.844 -2.184 19413 11981 1 14 . 1 1 154 154 VAL H H 154 9.441 9.441 8.900 0.541 19413 11982 1 14 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.314 0.425 19413 11983 1 14 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.784 -0.311 19413 11984 1 14 . 1 1 155 155 ASN CB C 155 37.154 37.154 37.608 -0.454 19413 11985 1 14 . 1 1 156 156 GLY N N 156 106.059 106.059 105.158 0.901 19413 11986 1 14 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.155 0.031 19413 11987 1 14 . 1 1 156 156 GLY H H 156 9.354 9.354 8.211 1.143 19413 11988 1 14 . 1 1 157 157 LYS N N 157 114.357 114.357 111.785 2.572 19413 11989 1 14 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.426 0.126 19413 11990 1 14 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.154 0.601 19413 11991 1 14 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.325 2.463 19413 11992 1 14 . 1 1 157 157 LYS H H 157 7.877 7.877 8.111 -0.234 19413 11993 1 14 . 1 1 158 158 TYR N N 158 117.900 117.900 120.579 -2.679 19413 11994 1 14 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.686 0.178 19413 11995 1 14 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.113 -0.257 19413 11996 1 14 . 1 1 158 158 TYR CB C 158 42.879 42.879 41.031 1.848 19413 11997 1 14 . 1 1 158 158 TYR H H 158 7.876 7.876 8.486 -0.610 19413 11998 1 14 . 1 1 159 159 GLN N N 159 125.094 125.094 120.311 4.783 19413 11999 1 14 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.034 -0.281 19413 12000 1 14 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.400 -0.994 19413 12001 1 14 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.215 -1.366 19413 12002 1 14 . 1 1 159 159 GLN H H 159 9.701 9.701 9.009 0.692 19413 12003 1 14 . 1 1 160 160 LEU N N 160 131.941 131.941 126.087 5.854 19413 12004 1 14 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.260 -0.249 19413 12005 1 14 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.226 -1.231 19413 12006 1 14 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.574 -1.499 19413 12007 1 14 . 1 1 160 160 LEU H H 160 8.551 8.551 8.566 -0.015 19413 12008 1 14 . 1 1 161 161 ASN N N 161 118.639 118.639 122.049 -3.410 19413 12009 1 14 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.163 0.333 19413 12010 1 14 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.186 -0.417 19413 12011 1 14 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.505 -0.594 19413 12012 1 14 . 1 1 161 161 ASN H H 161 8.285 8.285 8.389 -0.104 19413 12013 1 14 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.857 -0.068 19413 12014 1 14 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.820 -0.046 19413 12015 1 14 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.757 -0.579 19413 12016 1 14 . 1 1 163 163 GLN N N 163 116.006 116.006 116.630 -0.624 19413 12017 1 14 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.399 -0.173 19413 12018 1 14 . 1 1 163 163 GLN CA C 163 57.966 57.966 56.828 1.138 19413 12019 1 14 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.847 -0.871 19413 12020 1 14 . 1 1 163 163 GLN H H 163 8.086 8.086 7.962 0.124 19413 12021 1 14 . 1 1 164 164 GLY N N 164 107.393 107.393 106.981 0.412 19413 12022 1 14 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.916 -0.312 19413 12023 1 14 . 1 1 164 164 GLY H H 164 8.030 8.030 7.931 0.099 19413 12024 1 14 . 1 1 165 165 MET N N 165 119.802 119.802 118.652 1.150 19413 12025 1 14 . 1 1 165 165 MET HA H 165 4.636 4.636 4.815 -0.179 19413 12026 1 14 . 1 1 165 165 MET CA C 165 54.567 54.567 54.350 0.217 19413 12027 1 14 . 1 1 165 165 MET CB C 165 34.464 34.464 36.521 -2.057 19413 12028 1 14 . 1 1 165 165 MET H H 165 7.451 7.451 7.619 -0.168 19413 12029 1 14 . 1 1 166 166 ASP N N 166 121.681 121.681 120.921 0.760 19413 12030 1 14 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.569 0.064 19413 12031 1 14 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.922 -0.741 19413 12032 1 14 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.064 -0.411 19413 12033 1 14 . 1 1 166 166 ASP H H 166 8.694 8.694 8.803 -0.109 19413 12034 1 14 . 1 1 167 167 THR N N 167 112.609 112.609 115.154 -2.545 19413 12035 1 14 . 1 1 167 167 THR HA H 167 4.224 4.224 4.598 -0.374 19413 12036 1 14 . 1 1 167 167 THR CA C 167 60.340 60.340 61.096 -0.756 19413 12037 1 14 . 1 1 167 167 THR CB C 167 68.416 68.416 69.168 -0.752 19413 12038 1 14 . 1 1 167 167 THR H H 167 7.860 7.860 8.192 -0.332 19413 12039 1 14 . 1 1 168 168 SER N N 168 118.936 118.936 118.715 0.221 19413 12040 1 14 . 1 1 168 168 SER HA H 168 4.158 4.158 4.297 -0.139 19413 12041 1 14 . 1 1 168 168 SER CA C 168 60.874 60.874 61.882 -1.008 19413 12042 1 14 . 1 1 168 168 SER CB C 168 63.123 63.123 63.661 -0.538 19413 12043 1 14 . 1 1 168 168 SER H H 168 8.739 8.739 8.922 -0.183 19413 12044 1 14 . 1 1 169 169 ASN N N 169 117.875 117.875 116.948 0.927 19413 12045 1 14 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.892 -0.119 19413 12046 1 14 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.474 -1.126 19413 12047 1 14 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.545 1.147 19413 12048 1 14 . 1 1 169 169 ASN H H 169 7.341 7.341 7.949 -0.608 19413 12049 1 14 . 1 1 170 170 MET N N 170 123.431 123.431 114.200 9.231 19413 12050 1 14 . 1 1 170 170 MET HA H 170 4.600 4.600 4.009 0.591 19413 12051 1 14 . 1 1 170 170 MET CA C 170 57.233 57.233 57.386 -0.153 19413 12052 1 14 . 1 1 170 170 MET CB C 170 32.751 32.751 29.821 2.930 19413 12053 1 14 . 1 1 170 170 MET H H 170 9.186 9.186 8.476 0.710 19413 12054 1 14 . 1 1 171 171 ASP N N 171 120.825 120.825 120.757 0.068 19413 12055 1 14 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.416 0.077 19413 12056 1 14 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.959 -0.453 19413 12057 1 14 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.776 -0.988 19413 12058 1 14 . 1 1 171 171 ASP H H 171 8.232 8.232 8.442 -0.210 19413 12059 1 14 . 1 1 172 172 VAL N N 172 122.666 122.666 118.816 3.850 19413 12060 1 14 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.826 -0.048 19413 12061 1 14 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.394 0.145 19413 12062 1 14 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.680 0.175 19413 12063 1 14 . 1 1 172 172 VAL H H 172 7.872 7.872 7.840 0.032 19413 12064 1 14 . 1 1 173 173 PHE N N 173 121.872 121.872 121.147 0.725 19413 12065 1 14 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.428 -0.048 19413 12066 1 14 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.545 -0.082 19413 12067 1 14 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.751 0.523 19413 12068 1 14 . 1 1 173 173 PHE H H 173 8.250 8.250 7.936 0.314 19413 12069 1 14 . 1 1 174 174 VAL N N 174 117.535 117.535 119.053 -1.518 19413 12070 1 14 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.312 -0.269 19413 12071 1 14 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.247 0.656 19413 12072 1 14 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.908 0.463 19413 12073 1 14 . 1 1 174 174 VAL H H 174 8.138 8.138 7.592 0.546 19413 12074 1 14 . 1 1 175 175 ALA N N 175 121.129 121.129 122.369 -1.240 19413 12075 1 14 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.922 0.204 19413 12076 1 14 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.207 -0.439 19413 12077 1 14 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.376 -0.361 19413 12078 1 14 . 1 1 175 175 ALA H H 175 7.396 7.396 8.172 -0.776 19413 12079 1 14 . 1 1 176 176 GLN N N 176 120.043 120.043 116.808 3.235 19413 12080 1 14 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.123 -0.044 19413 12081 1 14 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.013 0.949 19413 12082 1 14 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.310 -1.261 19413 12083 1 14 . 1 1 176 176 GLN H H 176 8.721 8.721 7.661 1.060 19413 12084 1 14 . 1 1 177 177 TYR N N 177 127.981 127.981 123.540 4.441 19413 12085 1 14 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.993 -0.402 19413 12086 1 14 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.511 0.051 19413 12087 1 14 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.087 -0.110 19413 12088 1 14 . 1 1 177 177 TYR H H 177 9.002 9.002 8.404 0.598 19413 12089 1 14 . 1 1 178 178 ALA N N 178 119.796 119.796 118.678 1.118 19413 12090 1 14 . 1 1 178 178 ALA HA H 178 4.030 4.030 4.008 0.022 19413 12091 1 14 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.067 0.338 19413 12092 1 14 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.188 -0.219 19413 12093 1 14 . 1 1 178 178 ALA H H 178 8.392 8.392 8.178 0.214 19413 12094 1 14 . 1 1 179 179 ASP N N 179 117.823 117.823 118.100 -0.277 19413 12095 1 14 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.319 0.100 19413 12096 1 14 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.302 -0.006 19413 12097 1 14 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.668 1.135 19413 12098 1 14 . 1 1 179 179 ASP H H 179 8.379 8.379 8.037 0.342 19413 12099 1 14 . 1 1 180 180 THR N N 180 117.846 117.846 117.116 0.730 19413 12100 1 14 . 1 1 180 180 THR HA H 180 4.179 4.179 3.875 0.304 19413 12101 1 14 . 1 1 180 180 THR CA C 180 67.378 67.378 66.682 0.696 19413 12102 1 14 . 1 1 180 180 THR CB C 180 67.733 67.733 68.457 -0.724 19413 12103 1 14 . 1 1 180 180 THR H H 180 8.255 8.255 7.963 0.292 19413 12104 1 14 . 1 1 181 181 VAL N N 181 120.101 120.101 120.899 -0.798 19413 12105 1 14 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.530 -0.349 19413 12106 1 14 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.732 1.048 19413 12107 1 14 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.290 -0.359 19413 12108 1 14 . 1 1 181 181 VAL H H 181 7.772 7.772 7.868 -0.096 19413 12109 1 14 . 1 1 182 182 LYS N N 182 119.144 119.144 118.679 0.465 19413 12110 1 14 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.867 -0.237 19413 12111 1 14 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.474 0.887 19413 12112 1 14 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.200 0.080 19413 12113 1 14 . 1 1 182 182 LYS H H 182 7.758 7.758 7.452 0.306 19413 12114 1 14 . 1 1 183 183 GLN N N 183 116.269 116.269 118.183 -1.914 19413 12115 1 14 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.041 -0.056 19413 12116 1 14 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.683 0.600 19413 12117 1 14 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.717 0.606 19413 12118 1 14 . 1 1 183 183 GLN H H 183 8.114 8.114 8.119 -0.005 19413 12119 1 14 . 1 1 184 184 LEU N N 184 119.688 119.688 118.817 0.871 19413 12120 1 14 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.952 -0.317 19413 12121 1 14 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.907 0.134 19413 12122 1 14 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.885 0.175 19413 12123 1 14 . 1 1 184 184 LEU H H 184 8.000 8.000 7.598 0.402 19413 12124 1 14 . 1 1 185 185 VAL N N 185 121.017 121.017 115.975 5.042 19413 12125 1 14 . 1 1 185 185 VAL HA H 185 3.512 3.512 4.059 -0.547 19413 12126 1 14 . 1 1 185 185 VAL CA C 185 65.742 65.742 64.623 1.119 19413 12127 1 14 . 1 1 185 185 VAL CB C 185 31.564 31.564 32.137 -0.573 19413 12128 1 14 . 1 1 185 185 VAL H H 185 8.494 8.494 7.486 1.008 19413 12129 1 14 . 1 1 186 186 GLU N N 186 117.535 117.535 117.420 0.115 19413 12130 1 14 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.329 -0.209 19413 12131 1 14 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.663 0.497 19413 12132 1 14 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.106 -0.317 19413 12133 1 14 . 1 1 186 186 GLU H H 186 7.541 7.541 7.578 -0.037 19413 12134 1 14 . 1 1 187 187 LYS N N 187 121.929 121.929 120.094 1.835 19413 12135 1 14 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.513 -0.387 19413 12136 1 14 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.352 2.396 19413 12137 1 14 . 1 1 187 187 LYS CB C 187 32.718 32.718 32.519 0.199 19413 12138 1 14 . 1 1 187 187 LYS H H 187 7.358 7.358 7.196 0.162 19413 12139 1 15 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.714 0.057 19413 12140 1 15 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.523 -0.235 19413 12141 1 15 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.898 -0.977 19413 12142 1 15 . 1 1 1 1 ALA N N 1 125.275 125.275 119.824 5.451 19413 12143 1 15 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.999 0.320 19413 12144 1 15 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.635 -1.602 19413 12145 1 15 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.732 1.392 19413 12146 1 15 . 1 1 1 1 ALA H H 1 8.441 8.441 8.700 -0.259 19413 12147 1 15 . 1 1 2 2 GLN N N 2 121.120 121.120 116.984 4.136 19413 12148 1 15 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.579 -0.100 19413 12149 1 15 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.209 0.204 19413 12150 1 15 . 1 1 2 2 GLN CB C 2 29.494 29.494 30.923 -1.429 19413 12151 1 15 . 1 1 2 2 GLN H H 2 8.334 8.334 8.043 0.291 19413 12152 1 15 . 1 1 3 3 ILE N N 3 120.380 120.380 120.025 0.355 19413 12153 1 15 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.803 -0.392 19413 12154 1 15 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.887 0.906 19413 12155 1 15 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.491 -0.800 19413 12156 1 15 . 1 1 3 3 ILE H H 3 8.197 8.197 7.962 0.235 19413 12157 1 15 . 1 1 4 4 THR N N 4 120.223 120.223 119.131 1.092 19413 12158 1 15 . 1 1 4 4 THR HA H 4 4.566 4.566 4.526 0.040 19413 12159 1 15 . 1 1 4 4 THR CA C 4 61.500 61.500 60.504 0.996 19413 12160 1 15 . 1 1 4 4 THR CB C 4 71.727 71.727 71.367 0.360 19413 12161 1 15 . 1 1 4 4 THR H H 4 9.119 9.119 8.145 0.974 19413 12162 1 15 . 1 1 5 5 ASP N N 5 128.193 128.193 122.249 5.944 19413 12163 1 15 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.306 -0.160 19413 12164 1 15 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.916 0.433 19413 12165 1 15 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.513 0.488 19413 12166 1 15 . 1 1 5 5 ASP H H 5 8.510 8.510 8.365 0.145 19413 12167 1 15 . 1 1 6 6 GLY N N 6 117.400 117.400 111.611 5.789 19413 12168 1 15 . 1 1 6 6 GLY CA C 6 44.982 44.982 46.216 -1.234 19413 12169 1 15 . 1 1 6 6 GLY H H 6 8.608 8.608 8.493 0.115 19413 12170 1 15 . 1 1 7 7 LYS N N 7 122.122 122.122 120.922 1.200 19413 12171 1 15 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.322 0.280 19413 12172 1 15 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.064 -0.400 19413 12173 1 15 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.282 -1.519 19413 12174 1 15 . 1 1 7 7 LYS H H 7 8.131 8.131 7.295 0.836 19413 12175 1 15 . 1 1 8 8 GLN N N 8 115.920 115.920 116.033 -0.113 19413 12176 1 15 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.474 -0.345 19413 12177 1 15 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.379 1.688 19413 12178 1 15 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.589 -3.503 19413 12179 1 15 . 1 1 8 8 GLN H H 8 8.548 8.548 7.696 0.852 19413 12180 1 15 . 1 1 9 9 TYR N N 9 112.118 112.118 113.546 -1.428 19413 12181 1 15 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.373 -0.255 19413 12182 1 15 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.843 -1.105 19413 12183 1 15 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.202 -0.025 19413 12184 1 15 . 1 1 9 9 TYR H H 9 7.572 7.572 7.425 0.147 19413 12185 1 15 . 1 1 10 10 ILE N N 10 119.488 119.488 118.544 0.944 19413 12186 1 15 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.608 -0.027 19413 12187 1 15 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.609 0.389 19413 12188 1 15 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.553 0.450 19413 12189 1 15 . 1 1 10 10 ILE H H 10 9.365 9.365 9.204 0.161 19413 12190 1 15 . 1 1 11 11 THR N N 11 126.054 126.054 117.437 8.617 19413 12191 1 15 . 1 1 11 11 THR HA H 11 4.837 4.837 5.202 -0.365 19413 12192 1 15 . 1 1 11 11 THR CA C 11 63.376 63.376 60.838 2.538 19413 12193 1 15 . 1 1 11 11 THR CB C 11 68.487 68.487 70.448 -1.961 19413 12194 1 15 . 1 1 11 11 THR H H 11 9.153 9.153 8.232 0.921 19413 12195 1 15 . 1 1 12 12 LEU N N 12 129.370 129.370 124.227 5.143 19413 12196 1 15 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.523 -0.274 19413 12197 1 15 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.166 1.120 19413 12198 1 15 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.174 -0.668 19413 12199 1 15 . 1 1 12 12 LEU H H 12 8.636 8.636 8.375 0.261 19413 12200 1 15 . 1 1 13 13 ASP N N 13 122.179 122.179 120.465 1.714 19413 12201 1 15 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.620 -0.182 19413 12202 1 15 . 1 1 13 13 ASP CA C 13 55.724 55.724 56.037 -0.313 19413 12203 1 15 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.447 -0.562 19413 12204 1 15 . 1 1 13 13 ASP H H 13 8.494 8.494 8.426 0.068 19413 12205 1 15 . 1 1 14 14 LYS N N 14 119.361 119.361 120.298 -0.937 19413 12206 1 15 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.714 0.048 19413 12207 1 15 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.611 -1.124 19413 12208 1 15 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.690 -0.787 19413 12209 1 15 . 1 1 14 14 LYS H H 14 7.714 7.714 8.120 -0.406 19413 12210 1 15 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.446 0.157 19413 12211 1 15 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.901 -0.640 19413 12212 1 15 . 1 1 15 15 PRO CB C 15 32.697 32.697 31.672 1.024 19413 12213 1 15 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.295 0.067 19413 12214 1 15 . 1 1 16 16 ILE CA C 16 58.576 58.576 59.836 -1.260 19413 12215 1 15 . 1 1 16 16 ILE CB C 16 38.242 38.242 41.426 -3.184 19413 12216 1 15 . 1 1 17 17 ALA N N 17 130.287 130.287 127.512 2.775 19413 12217 1 15 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.397 -0.049 19413 12218 1 15 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.392 0.260 19413 12219 1 15 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.102 1.242 19413 12220 1 15 . 1 1 17 17 ALA H H 17 8.396 8.396 8.417 -0.021 19413 12221 1 15 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.008 0.209 19413 12222 1 15 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.380 0.021 19413 12223 1 15 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.806 0.586 19413 12224 1 15 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.372 -0.694 19413 12225 1 15 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.697 0.341 19413 12226 1 15 . 1 1 23 23 LEU CA C 23 52.966 52.966 53.864 -0.898 19413 12227 1 15 . 1 1 23 23 LEU CB C 23 46.113 46.113 45.965 0.148 19413 12228 1 15 . 1 1 24 24 GLU N N 24 127.720 127.720 120.643 7.077 19413 12229 1 15 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.705 -0.100 19413 12230 1 15 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.370 -1.932 19413 12231 1 15 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.249 0.454 19413 12232 1 15 . 1 1 24 24 GLU H H 24 8.973 8.973 8.363 0.610 19413 12233 1 15 . 1 1 25 25 PHE N N 25 121.108 121.108 119.846 1.262 19413 12234 1 15 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.281 0.785 19413 12235 1 15 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.096 -1.151 19413 12236 1 15 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.000 2.006 19413 12237 1 15 . 1 1 25 25 PHE H H 25 9.266 9.266 8.952 0.314 19413 12238 1 15 . 1 1 26 26 PHE N N 26 120.125 120.125 115.751 4.374 19413 12239 1 15 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.437 0.344 19413 12240 1 15 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.555 -1.717 19413 12241 1 15 . 1 1 26 26 PHE CB C 26 43.604 43.604 40.845 2.759 19413 12242 1 15 . 1 1 26 26 PHE H H 26 8.957 8.957 8.104 0.853 19413 12243 1 15 . 1 1 27 27 SER N N 27 109.643 109.643 113.151 -3.508 19413 12244 1 15 . 1 1 27 27 SER HA H 27 3.584 3.584 3.792 -0.208 19413 12245 1 15 . 1 1 27 27 SER CA C 27 54.556 54.556 55.151 -0.595 19413 12246 1 15 . 1 1 27 27 SER CB C 27 64.711 64.711 65.097 -0.386 19413 12247 1 15 . 1 1 27 27 SER H H 27 6.543 6.543 7.922 -1.379 19413 12248 1 15 . 1 1 28 28 PHE N N 28 132.096 132.096 120.060 12.036 19413 12249 1 15 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.978 0.389 19413 12250 1 15 . 1 1 28 28 PHE CA C 28 62.530 62.530 60.037 2.493 19413 12251 1 15 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.719 -0.076 19413 12252 1 15 . 1 1 28 28 PHE H H 28 11.199 11.199 8.502 2.697 19413 12253 1 15 . 1 1 29 29 TYR N N 29 115.582 115.582 114.853 0.729 19413 12254 1 15 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.566 -0.197 19413 12255 1 15 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.938 0.907 19413 12256 1 15 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.532 1.249 19413 12257 1 15 . 1 1 29 29 TYR H H 29 8.619 8.619 7.615 1.004 19413 12258 1 15 . 1 1 30 30 CYS N N 30 121.025 121.025 117.871 3.154 19413 12259 1 15 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.918 0.088 19413 12260 1 15 . 1 1 30 30 CYS CA C 30 52.459 52.459 54.679 -2.220 19413 12261 1 15 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.864 18.514 19413 12262 1 15 . 1 1 30 30 CYS H H 30 7.284 7.284 7.476 -0.192 19413 12263 1 15 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.637 0.440 19413 12264 1 15 . 1 1 31 31 PRO CA C 31 65.973 65.973 65.380 0.593 19413 12265 1 15 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.243 -0.035 19413 12266 1 15 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.385 0.219 19413 12267 1 15 . 1 1 32 32 HIS CA C 32 58.447 58.447 58.336 0.111 19413 12268 1 15 . 1 1 32 32 HIS CB C 32 30.054 30.054 27.983 2.071 19413 12269 1 15 . 1 1 33 33 CYS N N 33 117.365 117.365 117.615 -0.250 19413 12270 1 15 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.059 0.480 19413 12271 1 15 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.560 0.632 19413 12272 1 15 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.096 7.747 19413 12273 1 15 . 1 1 33 33 CYS H H 33 8.921 8.921 8.586 0.335 19413 12274 1 15 . 1 1 34 34 TYR N N 34 123.491 123.491 120.304 3.187 19413 12275 1 15 . 1 1 34 34 TYR HA H 34 2.762 2.762 3.293 -0.531 19413 12276 1 15 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.138 -1.705 19413 12277 1 15 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.035 -0.550 19413 12278 1 15 . 1 1 34 34 TYR H H 34 7.650 7.650 7.382 0.268 19413 12279 1 15 . 1 1 35 35 GLN N N 35 118.639 118.639 116.438 2.201 19413 12280 1 15 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.908 -0.196 19413 12281 1 15 . 1 1 35 35 GLN CA C 35 58.410 58.410 59.018 -0.608 19413 12282 1 15 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.100 -0.167 19413 12283 1 15 . 1 1 35 35 GLN H H 35 7.641 7.641 8.097 -0.456 19413 12284 1 15 . 1 1 36 36 PHE N N 36 121.254 121.254 116.883 4.371 19413 12285 1 15 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.114 -0.084 19413 12286 1 15 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.715 0.086 19413 12287 1 15 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.552 0.367 19413 12288 1 15 . 1 1 36 36 PHE H H 36 8.721 8.721 8.219 0.502 19413 12289 1 15 . 1 1 37 37 GLU N N 37 116.279 116.279 114.599 1.680 19413 12290 1 15 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.041 0.286 19413 12291 1 15 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.266 1.518 19413 12292 1 15 . 1 1 37 37 GLU CB C 37 30.856 30.856 31.136 -0.280 19413 12293 1 15 . 1 1 37 37 GLU H H 37 7.705 7.705 7.310 0.395 19413 12294 1 15 . 1 1 38 38 GLU N N 38 112.285 112.285 115.503 -3.218 19413 12295 1 15 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.327 -0.321 19413 12296 1 15 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.871 -1.293 19413 12297 1 15 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.491 -1.708 19413 12298 1 15 . 1 1 38 38 GLU H H 38 7.870 7.870 7.712 0.158 19413 12299 1 15 . 1 1 39 39 VAL N N 39 117.365 117.365 118.625 -1.260 19413 12300 1 15 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.054 -0.046 19413 12301 1 15 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.765 0.200 19413 12302 1 15 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.217 -0.856 19413 12303 1 15 . 1 1 39 39 VAL H H 39 6.850 6.850 7.494 -0.644 19413 12304 1 15 . 1 1 40 40 LEU N N 40 116.098 116.098 116.855 -0.757 19413 12305 1 15 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.079 0.014 19413 12306 1 15 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.384 -0.285 19413 12307 1 15 . 1 1 40 40 LEU CB C 40 43.113 43.113 41.919 1.194 19413 12308 1 15 . 1 1 40 40 LEU H H 40 8.171 8.171 7.933 0.238 19413 12309 1 15 . 1 1 41 41 HIS N N 41 111.930 111.930 115.447 -3.517 19413 12310 1 15 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.158 0.348 19413 12311 1 15 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.026 -1.559 19413 12312 1 15 . 1 1 41 41 HIS CB C 41 25.603 25.603 27.129 -1.526 19413 12313 1 15 . 1 1 41 41 HIS H H 41 6.459 6.459 7.315 -0.856 19413 12314 1 15 . 1 1 42 42 VAL N N 42 120.465 120.465 120.765 -0.300 19413 12315 1 15 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.544 -0.516 19413 12316 1 15 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.504 1.468 19413 12317 1 15 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.856 0.030 19413 12318 1 15 . 1 1 42 42 VAL H H 42 8.621 8.621 8.288 0.333 19413 12319 1 15 . 1 1 43 43 SER N N 43 113.968 113.968 115.484 -1.516 19413 12320 1 15 . 1 1 43 43 SER HA H 43 4.002 4.002 3.979 0.023 19413 12321 1 15 . 1 1 43 43 SER CA C 43 61.242 61.242 62.685 -1.443 19413 12322 1 15 . 1 1 43 43 SER CB C 43 62.565 62.565 62.995 -0.430 19413 12323 1 15 . 1 1 43 43 SER H H 43 8.040 8.040 7.831 0.209 19413 12324 1 15 . 1 1 44 44 ASP N N 44 121.731 121.731 119.582 2.149 19413 12325 1 15 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.354 0.060 19413 12326 1 15 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.562 -0.330 19413 12327 1 15 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.228 0.804 19413 12328 1 15 . 1 1 44 44 ASP H H 44 8.215 8.215 8.703 -0.488 19413 12329 1 15 . 1 1 45 45 ASN N N 45 118.906 118.906 118.187 0.719 19413 12330 1 15 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.535 -0.263 19413 12331 1 15 . 1 1 45 45 ASN CA C 45 57.322 57.322 55.930 1.392 19413 12332 1 15 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.943 0.684 19413 12333 1 15 . 1 1 45 45 ASN H H 45 7.860 7.860 7.782 0.078 19413 12334 1 15 . 1 1 46 46 VAL N N 46 119.934 119.934 119.263 0.671 19413 12335 1 15 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.696 -0.231 19413 12336 1 15 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.255 0.546 19413 12337 1 15 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.820 -0.471 19413 12338 1 15 . 1 1 46 46 VAL H H 46 8.583 8.583 8.269 0.314 19413 12339 1 15 . 1 1 47 47 ARG N N 47 119.655 119.655 120.648 -0.993 19413 12340 1 15 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.924 -0.103 19413 12341 1 15 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.799 0.003 19413 12342 1 15 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.924 0.413 19413 12343 1 15 . 1 1 47 47 ARG H H 47 8.522 8.522 8.342 0.180 19413 12344 1 15 . 1 1 48 48 GLN N N 48 115.072 115.072 117.157 -2.085 19413 12345 1 15 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.170 -0.052 19413 12346 1 15 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.101 -0.372 19413 12347 1 15 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.727 0.283 19413 12348 1 15 . 1 1 48 48 GLN H H 48 7.605 7.605 7.749 -0.144 19413 12349 1 15 . 1 1 49 49 LYS N N 49 116.858 116.858 115.810 1.048 19413 12350 1 15 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.559 -0.137 19413 12351 1 15 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.430 -0.625 19413 12352 1 15 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.904 -0.256 19413 12353 1 15 . 1 1 49 49 LYS H H 49 7.460 7.460 7.995 -0.535 19413 12354 1 15 . 1 1 50 50 LEU N N 50 119.786 119.786 122.530 -2.744 19413 12355 1 15 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.407 -0.008 19413 12356 1 15 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.589 -0.661 19413 12357 1 15 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.551 -0.597 19413 12358 1 15 . 1 1 50 50 LEU H H 50 7.215 7.215 7.644 -0.429 19413 12359 1 15 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.501 -0.025 19413 12360 1 15 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.523 -0.251 19413 12361 1 15 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.232 -0.778 19413 12362 1 15 . 1 1 52 52 GLU N N 52 126.400 126.400 117.735 8.665 19413 12363 1 15 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.357 -0.257 19413 12364 1 15 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.534 1.581 19413 12365 1 15 . 1 1 52 52 GLU CB C 52 29.336 29.336 29.563 -0.227 19413 12366 1 15 . 1 1 52 52 GLU H H 52 8.935 8.935 8.480 0.455 19413 12367 1 15 . 1 1 53 53 GLY N N 53 113.671 113.671 108.583 5.088 19413 12368 1 15 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.490 -0.645 19413 12369 1 15 . 1 1 53 53 GLY H H 53 8.948 8.948 7.811 1.137 19413 12370 1 15 . 1 1 54 54 THR N N 54 118.129 118.129 119.542 -1.413 19413 12371 1 15 . 1 1 54 54 THR HA H 54 4.161 4.161 4.184 -0.023 19413 12372 1 15 . 1 1 54 54 THR CA C 54 63.707 63.707 63.373 0.334 19413 12373 1 15 . 1 1 54 54 THR CB C 54 68.784 68.784 68.217 0.567 19413 12374 1 15 . 1 1 54 54 THR H H 54 7.696 7.696 8.009 -0.313 19413 12375 1 15 . 1 1 55 55 LYS N N 55 129.892 129.892 126.617 3.275 19413 12376 1 15 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.363 0.012 19413 12377 1 15 . 1 1 55 55 LYS CA C 55 55.835 55.835 55.493 0.342 19413 12378 1 15 . 1 1 55 55 LYS CB C 55 33.448 33.448 33.477 -0.029 19413 12379 1 15 . 1 1 55 55 LYS H H 55 8.757 8.757 8.171 0.586 19413 12380 1 15 . 1 1 56 56 MET N N 56 125.391 125.391 122.425 2.966 19413 12381 1 15 . 1 1 56 56 MET HA H 56 5.258 5.258 4.775 0.483 19413 12382 1 15 . 1 1 56 56 MET CA C 56 54.436 54.436 55.046 -0.610 19413 12383 1 15 . 1 1 56 56 MET CB C 56 34.394 34.394 33.156 1.238 19413 12384 1 15 . 1 1 56 56 MET H H 56 8.512 8.512 8.467 0.045 19413 12385 1 15 . 1 1 57 57 THR N N 57 124.711 124.711 119.238 5.473 19413 12386 1 15 . 1 1 57 57 THR HA H 57 4.390 4.390 4.635 -0.245 19413 12387 1 15 . 1 1 57 57 THR CA C 57 61.942 61.942 61.630 0.312 19413 12388 1 15 . 1 1 57 57 THR CB C 57 70.952 70.952 70.371 0.581 19413 12389 1 15 . 1 1 57 57 THR H H 57 8.830 8.830 8.898 -0.068 19413 12390 1 15 . 1 1 58 58 LYS N N 58 126.113 126.113 120.339 5.774 19413 12391 1 15 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.984 0.298 19413 12392 1 15 . 1 1 58 58 LYS CA C 58 54.501 54.501 56.917 -2.416 19413 12393 1 15 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.713 0.704 19413 12394 1 15 . 1 1 58 58 LYS H H 58 8.739 8.739 8.561 0.178 19413 12395 1 15 . 1 1 59 59 TYR N N 59 127.472 127.472 124.580 2.892 19413 12396 1 15 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.949 0.677 19413 12397 1 15 . 1 1 59 59 TYR CA C 59 51.825 51.825 57.127 -5.302 19413 12398 1 15 . 1 1 59 59 TYR CB C 59 40.685 40.685 39.457 1.228 19413 12399 1 15 . 1 1 59 59 TYR H H 59 9.524 9.524 9.305 0.219 19413 12400 1 15 . 1 1 60 60 HIS N N 60 123.656 123.656 113.572 10.084 19413 12401 1 15 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.212 0.172 19413 12402 1 15 . 1 1 60 60 HIS CA C 60 55.467 55.467 54.059 1.408 19413 12403 1 15 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.348 -1.529 19413 12404 1 15 . 1 1 60 60 HIS H H 60 9.284 9.284 8.433 0.851 19413 12405 1 15 . 1 1 61 61 VAL N N 61 112.397 112.397 112.791 -0.394 19413 12406 1 15 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.599 0.138 19413 12407 1 15 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.174 -1.095 19413 12408 1 15 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.344 -1.459 19413 12409 1 15 . 1 1 61 61 VAL H H 61 6.262 6.262 7.793 -1.531 19413 12410 1 15 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.324 -0.283 19413 12411 1 15 . 1 1 62 62 GLU CA C 62 56.328 56.328 58.558 -2.230 19413 12412 1 15 . 1 1 62 62 GLU CB C 62 29.752 29.752 30.401 -0.649 19413 12413 1 15 . 1 1 63 63 PHE N N 63 111.215 111.215 114.865 -3.650 19413 12414 1 15 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.167 0.404 19413 12415 1 15 . 1 1 63 63 PHE CA C 63 57.709 57.709 60.084 -2.375 19413 12416 1 15 . 1 1 63 63 PHE CB C 63 37.605 37.605 38.602 -0.998 19413 12417 1 15 . 1 1 63 63 PHE H H 63 6.419 6.419 8.312 -1.893 19413 12418 1 15 . 1 1 64 64 LEU N N 64 119.701 119.701 118.318 1.383 19413 12419 1 15 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.594 0.101 19413 12420 1 15 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.114 -0.302 19413 12421 1 15 . 1 1 64 64 LEU CB C 64 44.338 44.338 44.578 -0.240 19413 12422 1 15 . 1 1 64 64 LEU H H 64 6.396 6.396 7.926 -1.530 19413 12423 1 15 . 1 1 65 65 GLY N N 65 108.957 108.957 106.522 2.435 19413 12424 1 15 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.724 -0.546 19413 12425 1 15 . 1 1 65 65 GLY H H 65 8.084 8.084 7.871 0.213 19413 12426 1 15 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.316 0.095 19413 12427 1 15 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.788 0.207 19413 12428 1 15 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.256 -0.465 19413 12429 1 15 . 1 1 67 67 LEU N N 67 114.479 114.479 119.902 -5.423 19413 12430 1 15 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.935 0.532 19413 12431 1 15 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.033 -1.140 19413 12432 1 15 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.474 -0.036 19413 12433 1 15 . 1 1 67 67 LEU H H 67 7.484 7.484 7.839 -0.355 19413 12434 1 15 . 1 1 68 68 GLY N N 68 108.957 108.957 110.435 -1.478 19413 12435 1 15 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.599 1.908 19413 12436 1 15 . 1 1 68 68 GLY H H 68 7.659 7.659 8.234 -0.575 19413 12437 1 15 . 1 1 69 69 LYS N N 69 124.459 124.459 121.565 2.894 19413 12438 1 15 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.068 -0.022 19413 12439 1 15 . 1 1 69 69 LYS CA C 69 61.036 61.036 59.090 1.946 19413 12440 1 15 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.009 -0.417 19413 12441 1 15 . 1 1 69 69 LYS H H 69 9.149 9.149 8.259 0.890 19413 12442 1 15 . 1 1 70 70 ASP N N 70 122.631 122.631 117.857 4.774 19413 12443 1 15 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.543 0.172 19413 12444 1 15 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.880 0.015 19413 12445 1 15 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.553 1.604 19413 12446 1 15 . 1 1 70 70 ASP H H 70 8.519 8.519 8.275 0.244 19413 12447 1 15 . 1 1 71 71 LEU N N 71 119.276 119.276 120.227 -0.951 19413 12448 1 15 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.876 0.361 19413 12449 1 15 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.086 -0.808 19413 12450 1 15 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.547 1.530 19413 12451 1 15 . 1 1 71 71 LEU H H 71 9.421 9.421 8.090 1.331 19413 12452 1 15 . 1 1 72 72 THR N N 72 119.204 119.204 112.139 7.065 19413 12453 1 15 . 1 1 72 72 THR HA H 72 4.033 4.033 4.306 -0.273 19413 12454 1 15 . 1 1 72 72 THR CA C 72 67.403 67.403 65.683 1.720 19413 12455 1 15 . 1 1 72 72 THR CB C 72 68.170 68.170 68.478 -0.308 19413 12456 1 15 . 1 1 72 72 THR H H 72 7.762 7.762 8.198 -0.436 19413 12457 1 15 . 1 1 73 73 GLN N N 73 125.845 125.845 119.654 6.191 19413 12458 1 15 . 1 1 73 73 GLN HA H 73 3.663 3.663 4.190 -0.527 19413 12459 1 15 . 1 1 73 73 GLN CA C 73 59.403 59.403 56.665 2.738 19413 12460 1 15 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.960 -3.401 19413 12461 1 15 . 1 1 73 73 GLN H H 73 7.822 7.822 7.471 0.351 19413 12462 1 15 . 1 1 74 74 ALA N N 74 123.013 123.013 123.372 -0.359 19413 12463 1 15 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.169 -0.036 19413 12464 1 15 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.658 0.246 19413 12465 1 15 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.488 0.661 19413 12466 1 15 . 1 1 74 74 ALA H H 74 8.966 8.966 7.597 1.369 19413 12467 1 15 . 1 1 75 75 TRP N N 75 120.717 120.717 120.399 0.318 19413 12468 1 15 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.276 0.623 19413 12469 1 15 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.386 -1.314 19413 12470 1 15 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.345 0.246 19413 12471 1 15 . 1 1 75 75 TRP H H 75 8.932 8.932 8.209 0.723 19413 12472 1 15 . 1 1 76 76 ALA N N 76 119.394 119.394 120.870 -1.476 19413 12473 1 15 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.877 0.098 19413 12474 1 15 . 1 1 76 76 ALA CA C 76 54.878 54.878 54.955 -0.077 19413 12475 1 15 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.896 2.269 19413 12476 1 15 . 1 1 76 76 ALA H H 76 7.650 7.650 8.537 -0.887 19413 12477 1 15 . 1 1 77 77 VAL N N 77 119.658 119.658 120.118 -0.460 19413 12478 1 15 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.532 -0.308 19413 12479 1 15 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.815 0.093 19413 12480 1 15 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.315 -1.198 19413 12481 1 15 . 1 1 77 77 VAL H H 77 8.074 8.074 7.461 0.613 19413 12482 1 15 . 1 1 78 78 ALA N N 78 121.951 121.951 122.490 -0.539 19413 12483 1 15 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.048 -0.024 19413 12484 1 15 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.242 -0.401 19413 12485 1 15 . 1 1 78 78 ALA CB C 78 17.499 17.499 17.920 -0.421 19413 12486 1 15 . 1 1 78 78 ALA H H 78 8.421 8.421 7.658 0.763 19413 12487 1 15 . 1 1 79 79 ILE N N 79 118.384 118.384 118.137 0.247 19413 12488 1 15 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.515 0.101 19413 12489 1 15 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.531 -0.547 19413 12490 1 15 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.705 0.491 19413 12491 1 15 . 1 1 79 79 ILE H H 79 8.122 8.122 8.178 -0.056 19413 12492 1 15 . 1 1 80 80 ALA N N 80 124.708 124.708 121.178 3.530 19413 12493 1 15 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.113 -0.135 19413 12494 1 15 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.593 0.322 19413 12495 1 15 . 1 1 80 80 ALA CB C 80 18.105 18.105 19.018 -0.913 19413 12496 1 15 . 1 1 80 80 ALA H H 80 8.694 8.694 7.654 1.040 19413 12497 1 15 . 1 1 81 81 LEU N N 81 114.303 114.303 116.324 -2.021 19413 12498 1 15 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.444 -0.064 19413 12499 1 15 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.828 -0.246 19413 12500 1 15 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.679 0.533 19413 12501 1 15 . 1 1 81 81 LEU H H 81 8.469 8.469 7.971 0.498 19413 12502 1 15 . 1 1 82 82 GLY N N 82 112.196 112.196 109.121 3.075 19413 12503 1 15 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.811 1.147 19413 12504 1 15 . 1 1 82 82 GLY H H 82 7.955 7.955 7.874 0.081 19413 12505 1 15 . 1 1 83 83 VAL N N 83 109.426 109.426 113.913 -4.487 19413 12506 1 15 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.424 0.497 19413 12507 1 15 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.740 -1.558 19413 12508 1 15 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.747 -1.306 19413 12509 1 15 . 1 1 83 83 VAL H H 83 8.267 8.267 7.893 0.374 19413 12510 1 15 . 1 1 84 84 GLU N N 84 127.081 127.081 123.770 3.311 19413 12511 1 15 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.680 -0.096 19413 12512 1 15 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.170 1.186 19413 12513 1 15 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.587 0.383 19413 12514 1 15 . 1 1 84 84 GLU H H 84 10.566 10.566 8.601 1.965 19413 12515 1 15 . 1 1 85 85 ASP N N 85 117.467 117.467 116.197 1.270 19413 12516 1 15 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.546 0.041 19413 12517 1 15 . 1 1 85 85 ASP CA C 85 56.279 56.279 55.731 0.548 19413 12518 1 15 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.309 -0.577 19413 12519 1 15 . 1 1 85 85 ASP H H 85 8.946 8.946 8.741 0.205 19413 12520 1 15 . 1 1 86 86 LYS N N 86 119.121 119.121 116.305 2.816 19413 12521 1 15 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.339 0.080 19413 12522 1 15 . 1 1 86 86 LYS CA C 86 57.179 57.179 56.855 0.324 19413 12523 1 15 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.487 -0.061 19413 12524 1 15 . 1 1 86 86 LYS H H 86 7.745 7.745 7.840 -0.095 19413 12525 1 15 . 1 1 87 87 ILE N N 87 108.193 108.193 111.502 -3.309 19413 12526 1 15 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.525 -0.287 19413 12527 1 15 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.878 -1.558 19413 12528 1 15 . 1 1 87 87 ILE CB C 87 40.000 40.000 39.232 0.768 19413 12529 1 15 . 1 1 87 87 ILE H H 87 7.343 7.343 7.733 -0.390 19413 12530 1 15 . 1 1 88 88 THR N N 88 119.455 119.455 118.658 0.797 19413 12531 1 15 . 1 1 88 88 THR HA H 88 4.053 4.053 4.309 -0.256 19413 12532 1 15 . 1 1 88 88 THR CA C 88 69.780 69.780 67.106 2.674 19413 12533 1 15 . 1 1 88 88 THR CB C 88 68.491 68.491 68.474 0.017 19413 12534 1 15 . 1 1 88 88 THR H H 88 7.746 7.746 7.916 -0.170 19413 12535 1 15 . 1 1 89 89 ALA N N 89 123.122 123.122 123.688 -0.566 19413 12536 1 15 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.755 -0.155 19413 12537 1 15 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.251 1.040 19413 12538 1 15 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.891 -1.694 19413 12539 1 15 . 1 1 89 89 ALA H H 89 9.125 9.125 8.756 0.369 19413 12540 1 15 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.445 -0.029 19413 12541 1 15 . 1 1 90 90 PRO CA C 90 65.221 65.221 64.971 0.250 19413 12542 1 15 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.396 0.015 19413 12543 1 15 . 1 1 91 91 MET N N 91 119.468 119.468 119.258 0.210 19413 12544 1 15 . 1 1 91 91 MET HA H 91 4.370 4.370 4.123 0.247 19413 12545 1 15 . 1 1 91 91 MET CA C 91 56.901 56.901 58.348 -1.447 19413 12546 1 15 . 1 1 91 91 MET CB C 91 30.059 30.059 32.011 -1.952 19413 12547 1 15 . 1 1 91 91 MET H H 91 8.176 8.176 7.532 0.644 19413 12548 1 15 . 1 1 92 92 PHE N N 92 120.720 120.720 117.771 2.949 19413 12549 1 15 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.391 0.127 19413 12550 1 15 . 1 1 92 92 PHE CA C 92 63.883 63.883 61.761 2.122 19413 12551 1 15 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.679 0.645 19413 12552 1 15 . 1 1 92 92 PHE H H 92 8.650 8.650 8.099 0.551 19413 12553 1 15 . 1 1 93 93 GLU N N 93 117.705 117.705 120.720 -3.015 19413 12554 1 15 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.092 -0.026 19413 12555 1 15 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.886 -0.483 19413 12556 1 15 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.629 0.013 19413 12557 1 15 . 1 1 93 93 GLU H H 93 8.240 8.240 8.204 0.036 19413 12558 1 15 . 1 1 94 94 ALA N N 94 123.067 123.067 120.044 3.023 19413 12559 1 15 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.360 0.091 19413 12560 1 15 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.637 -0.642 19413 12561 1 15 . 1 1 94 94 ALA CB C 94 19.003 19.003 18.819 0.184 19413 12562 1 15 . 1 1 94 94 ALA H H 94 8.431 8.431 8.180 0.251 19413 12563 1 15 . 1 1 95 95 VAL N N 95 115.582 115.582 115.632 -0.050 19413 12564 1 15 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.913 -0.191 19413 12565 1 15 . 1 1 95 95 VAL CA C 95 65.804 65.804 63.987 1.817 19413 12566 1 15 . 1 1 95 95 VAL CB C 95 31.739 31.739 33.049 -1.310 19413 12567 1 15 . 1 1 95 95 VAL H H 95 8.467 8.467 7.701 0.766 19413 12568 1 15 . 1 1 96 96 GLN N N 96 113.295 113.295 118.040 -4.745 19413 12569 1 15 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.432 0.119 19413 12570 1 15 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.224 1.002 19413 12571 1 15 . 1 1 96 96 GLN CB C 96 30.679 30.679 31.103 -0.424 19413 12572 1 15 . 1 1 96 96 GLN H H 96 8.184 8.184 8.471 -0.287 19413 12573 1 15 . 1 1 97 97 LYS N N 97 118.621 118.621 120.247 -1.626 19413 12574 1 15 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.229 0.458 19413 12575 1 15 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.864 -1.705 19413 12576 1 15 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.290 -0.748 19413 12577 1 15 . 1 1 97 97 LYS H H 97 8.231 8.231 7.946 0.285 19413 12578 1 15 . 1 1 98 98 THR N N 98 110.486 110.486 110.428 0.058 19413 12579 1 15 . 1 1 98 98 THR HA H 98 4.285 4.285 4.444 -0.159 19413 12580 1 15 . 1 1 98 98 THR CA C 98 62.420 62.420 61.773 0.647 19413 12581 1 15 . 1 1 98 98 THR CB C 98 68.343 68.343 70.088 -1.744 19413 12582 1 15 . 1 1 98 98 THR H H 98 8.612 8.612 8.160 0.452 19413 12583 1 15 . 1 1 99 99 GLN N N 99 115.751 115.751 117.092 -1.341 19413 12584 1 15 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.132 0.053 19413 12585 1 15 . 1 1 99 99 GLN CA C 99 56.986 56.986 56.967 0.019 19413 12586 1 15 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.835 -1.212 19413 12587 1 15 . 1 1 99 99 GLN H H 99 6.979 6.979 7.734 -0.755 19413 12588 1 15 . 1 1 100 100 THR N N 100 108.660 108.660 112.159 -3.499 19413 12589 1 15 . 1 1 100 100 THR HA H 100 4.350 4.350 4.112 0.238 19413 12590 1 15 . 1 1 100 100 THR CA C 100 61.035 61.035 64.584 -3.549 19413 12591 1 15 . 1 1 100 100 THR CB C 100 68.306 68.306 69.044 -0.738 19413 12592 1 15 . 1 1 100 100 THR H H 100 8.362 8.362 8.181 0.181 19413 12593 1 15 . 1 1 101 101 VAL N N 101 121.417 121.417 122.164 -0.747 19413 12594 1 15 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.774 0.419 19413 12595 1 15 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.418 -2.451 19413 12596 1 15 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.546 0.803 19413 12597 1 15 . 1 1 101 101 VAL H H 101 7.376 7.376 7.809 -0.433 19413 12598 1 15 . 1 1 102 102 GLN N N 102 127.472 127.472 126.204 1.268 19413 12599 1 15 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.580 -0.016 19413 12600 1 15 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.836 -0.720 19413 12601 1 15 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.810 -1.042 19413 12602 1 15 . 1 1 102 102 GLN H H 102 9.583 9.583 8.667 0.916 19413 12603 1 15 . 1 1 103 103 SER N N 103 116.698 116.698 112.684 4.014 19413 12604 1 15 . 1 1 103 103 SER HA H 103 4.883 4.883 4.795 0.088 19413 12605 1 15 . 1 1 103 103 SER CA C 103 56.423 56.423 56.624 -0.201 19413 12606 1 15 . 1 1 103 103 SER CB C 103 66.834 66.834 65.497 1.337 19413 12607 1 15 . 1 1 103 103 SER H H 103 8.539 8.539 8.496 0.043 19413 12608 1 15 . 1 1 104 104 VAL N N 104 120.375 120.375 122.405 -2.030 19413 12609 1 15 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.584 0.156 19413 12610 1 15 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.975 -1.219 19413 12611 1 15 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.629 -0.700 19413 12612 1 15 . 1 1 104 104 VAL H H 104 8.929 8.929 8.883 0.046 19413 12613 1 15 . 1 1 105 105 ALA N N 105 125.255 125.255 121.288 3.967 19413 12614 1 15 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.894 0.106 19413 12615 1 15 . 1 1 105 105 ALA CA C 105 54.906 54.906 55.004 -0.098 19413 12616 1 15 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.562 0.491 19413 12617 1 15 . 1 1 105 105 ALA H H 105 8.099 8.099 8.413 -0.314 19413 12618 1 15 . 1 1 106 106 ASP N N 106 118.317 118.317 117.956 0.361 19413 12619 1 15 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.455 -0.080 19413 12620 1 15 . 1 1 106 106 ASP CA C 106 56.664 56.664 57.064 -0.400 19413 12621 1 15 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.197 1.570 19413 12622 1 15 . 1 1 106 106 ASP H H 106 7.603 7.603 8.181 -0.578 19413 12623 1 15 . 1 1 107 107 ILE N N 107 120.210 120.210 119.674 0.536 19413 12624 1 15 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.833 -0.502 19413 12625 1 15 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.584 1.025 19413 12626 1 15 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.897 -0.007 19413 12627 1 15 . 1 1 107 107 ILE H H 107 7.342 7.342 7.160 0.182 19413 12628 1 15 . 1 1 108 108 ARG N N 108 119.234 119.234 118.721 0.513 19413 12629 1 15 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.636 -0.839 19413 12630 1 15 . 1 1 108 108 ARG CA C 108 58.656 58.656 57.857 0.799 19413 12631 1 15 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.329 1.513 19413 12632 1 15 . 1 1 108 108 ARG H H 108 6.677 6.677 8.369 -1.692 19413 12633 1 15 . 1 1 109 109 LYS N N 109 117.662 117.662 120.239 -2.577 19413 12634 1 15 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.985 -0.139 19413 12635 1 15 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.697 -0.478 19413 12636 1 15 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.156 -0.182 19413 12637 1 15 . 1 1 109 109 LYS H H 109 7.164 7.164 7.400 -0.236 19413 12638 1 15 . 1 1 110 110 VAL N N 110 118.257 118.257 119.063 -0.806 19413 12639 1 15 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.926 -0.285 19413 12640 1 15 . 1 1 110 110 VAL CA C 110 66.062 66.062 65.818 0.244 19413 12641 1 15 . 1 1 110 110 VAL CB C 110 31.224 31.224 30.953 0.271 19413 12642 1 15 . 1 1 110 110 VAL H H 110 7.269 7.269 7.614 -0.345 19413 12643 1 15 . 1 1 111 111 PHE N N 111 118.699 118.699 118.500 0.199 19413 12644 1 15 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.156 -0.246 19413 12645 1 15 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.438 -0.958 19413 12646 1 15 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.078 0.345 19413 12647 1 15 . 1 1 111 111 PHE H H 111 7.411 7.411 7.710 -0.299 19413 12648 1 15 . 1 1 112 112 VAL N N 112 121.527 121.527 119.561 1.966 19413 12649 1 15 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.969 0.642 19413 12650 1 15 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.421 -0.702 19413 12651 1 15 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.276 0.094 19413 12652 1 15 . 1 1 112 112 VAL H H 112 8.424 8.424 7.639 0.785 19413 12653 1 15 . 1 1 113 113 ASP N N 113 124.032 124.032 121.501 2.531 19413 12654 1 15 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.338 0.109 19413 12655 1 15 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.155 -0.477 19413 12656 1 15 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.242 -0.962 19413 12657 1 15 . 1 1 113 113 ASP H H 113 9.048 9.048 8.492 0.556 19413 12658 1 15 . 1 1 114 114 ALA N N 114 121.399 121.399 119.509 1.890 19413 12659 1 15 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.227 0.240 19413 12660 1 15 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.785 -0.907 19413 12661 1 15 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.644 -1.031 19413 12662 1 15 . 1 1 114 114 ALA H H 114 7.505 7.505 7.780 -0.275 19413 12663 1 15 . 1 1 115 115 GLY N N 115 105.755 105.755 106.457 -0.702 19413 12664 1 15 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.578 0.526 19413 12665 1 15 . 1 1 115 115 GLY H H 115 7.895 7.895 7.621 0.274 19413 12666 1 15 . 1 1 116 116 VAL N N 116 124.542 124.542 119.384 5.158 19413 12667 1 15 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.264 -0.244 19413 12668 1 15 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.852 0.749 19413 12669 1 15 . 1 1 116 116 VAL CB C 116 31.739 31.739 34.587 -2.848 19413 12670 1 15 . 1 1 116 116 VAL H H 116 8.095 8.095 7.566 0.529 19413 12671 1 15 . 1 1 117 117 LYS N N 117 128.363 128.363 127.271 1.092 19413 12672 1 15 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.319 -0.136 19413 12673 1 15 . 1 1 117 117 LYS CA C 117 57.085 57.085 56.776 0.309 19413 12674 1 15 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.622 -0.810 19413 12675 1 15 . 1 1 117 117 LYS H H 117 9.102 9.102 8.970 0.132 19413 12676 1 15 . 1 1 118 118 GLY N N 118 116.049 116.049 113.638 2.411 19413 12677 1 15 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.819 0.849 19413 12678 1 15 . 1 1 118 118 GLY H H 118 9.300 9.300 9.117 0.183 19413 12679 1 15 . 1 1 119 119 GLU N N 119 118.512 118.512 119.736 -1.224 19413 12680 1 15 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.167 0.059 19413 12681 1 15 . 1 1 119 119 GLU CA C 119 59.523 59.523 59.014 0.509 19413 12682 1 15 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.360 -0.547 19413 12683 1 15 . 1 1 119 119 GLU H H 119 9.501 9.501 8.759 0.742 19413 12684 1 15 . 1 1 120 120 ASP N N 120 121.262 121.262 120.348 0.914 19413 12685 1 15 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.550 0.029 19413 12686 1 15 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.709 -0.151 19413 12687 1 15 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.384 -1.752 19413 12688 1 15 . 1 1 120 120 ASP H H 120 7.088 7.088 7.748 -0.660 19413 12689 1 15 . 1 1 121 121 TYR N N 121 123.619 123.619 122.071 1.548 19413 12690 1 15 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.108 -0.386 19413 12691 1 15 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.188 -0.037 19413 12692 1 15 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.654 -0.652 19413 12693 1 15 . 1 1 121 121 TYR H H 121 7.986 7.986 8.236 -0.250 19413 12694 1 15 . 1 1 122 122 ASP N N 122 119.702 119.702 118.842 0.860 19413 12695 1 15 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.390 -0.136 19413 12696 1 15 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.697 0.426 19413 12697 1 15 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.902 -1.291 19413 12698 1 15 . 1 1 122 122 ASP H H 122 8.812 8.812 7.941 0.871 19413 12699 1 15 . 1 1 123 123 ALA N N 123 121.138 121.138 121.075 0.063 19413 12700 1 15 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.297 -0.071 19413 12701 1 15 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.581 -0.351 19413 12702 1 15 . 1 1 123 123 ALA CB C 123 18.126 18.126 18.990 -0.864 19413 12703 1 15 . 1 1 123 123 ALA H H 123 7.696 7.696 8.003 -0.307 19413 12704 1 15 . 1 1 124 124 ALA N N 124 120.299 120.299 122.144 -1.845 19413 12705 1 15 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.107 -0.001 19413 12706 1 15 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.528 -0.202 19413 12707 1 15 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.148 0.417 19413 12708 1 15 . 1 1 124 124 ALA H H 124 7.935 7.935 7.908 0.027 19413 12709 1 15 . 1 1 125 125 TRP N N 125 121.357 121.357 119.926 1.431 19413 12710 1 15 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.191 -0.715 19413 12711 1 15 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.414 1.049 19413 12712 1 15 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.384 -1.007 19413 12713 1 15 . 1 1 125 125 TRP H H 125 8.948 8.948 8.432 0.516 19413 12714 1 15 . 1 1 126 126 ASN N N 126 110.817 110.817 112.497 -1.680 19413 12715 1 15 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.703 0.140 19413 12716 1 15 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.722 -0.200 19413 12717 1 15 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.329 0.741 19413 12718 1 15 . 1 1 126 126 ASN H H 126 7.024 7.024 7.879 -0.855 19413 12719 1 15 . 1 1 127 127 SER N N 127 116.650 116.650 115.422 1.228 19413 12720 1 15 . 1 1 127 127 SER HA H 127 4.472 4.472 4.469 0.003 19413 12721 1 15 . 1 1 127 127 SER CA C 127 58.535 58.535 57.655 0.880 19413 12722 1 15 . 1 1 127 127 SER CB C 127 65.513 65.513 65.110 0.403 19413 12723 1 15 . 1 1 127 127 SER H H 127 7.831 7.831 7.768 0.063 19413 12724 1 15 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.244 0.034 19413 12725 1 15 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.103 -0.048 19413 12726 1 15 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.178 -0.810 19413 12727 1 15 . 1 1 129 129 VAL N N 129 120.058 120.058 118.500 1.558 19413 12728 1 15 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.710 0.004 19413 12729 1 15 . 1 1 129 129 VAL CA C 129 65.672 65.672 67.117 -1.445 19413 12730 1 15 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.058 0.720 19413 12731 1 15 . 1 1 129 129 VAL H H 129 8.340 8.340 7.939 0.401 19413 12732 1 15 . 1 1 130 130 VAL N N 130 122.552 122.552 119.489 3.063 19413 12733 1 15 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.649 -0.138 19413 12734 1 15 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.404 0.430 19413 12735 1 15 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.258 -0.034 19413 12736 1 15 . 1 1 130 130 VAL H H 130 7.163 7.163 7.653 -0.490 19413 12737 1 15 . 1 1 131 131 LYS N N 131 122.079 122.079 120.078 2.001 19413 12738 1 15 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.707 0.050 19413 12739 1 15 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.249 0.485 19413 12740 1 15 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.044 0.474 19413 12741 1 15 . 1 1 131 131 LYS H H 131 7.852 7.852 7.652 0.200 19413 12742 1 15 . 1 1 132 132 SER N N 132 115.836 115.836 115.114 0.722 19413 12743 1 15 . 1 1 132 132 SER HA H 132 4.155 4.155 4.097 0.058 19413 12744 1 15 . 1 1 132 132 SER CA C 132 61.022 61.022 61.708 -0.686 19413 12745 1 15 . 1 1 132 132 SER CB C 132 62.309 62.309 62.897 -0.588 19413 12746 1 15 . 1 1 132 132 SER H H 132 8.258 8.258 8.053 0.205 19413 12747 1 15 . 1 1 133 133 LEU N N 133 124.754 124.754 122.095 2.659 19413 12748 1 15 . 1 1 133 133 LEU HA H 133 4.197 4.197 4.040 0.157 19413 12749 1 15 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.731 -0.167 19413 12750 1 15 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.137 2.024 19413 12751 1 15 . 1 1 133 133 LEU H H 133 8.140 8.140 7.663 0.477 19413 12752 1 15 . 1 1 134 134 VAL N N 134 123.461 123.461 120.338 3.123 19413 12753 1 15 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.544 -0.263 19413 12754 1 15 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.493 2.364 19413 12755 1 15 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.228 -0.372 19413 12756 1 15 . 1 1 134 134 VAL H H 134 8.718 8.718 8.376 0.342 19413 12757 1 15 . 1 1 135 135 ALA N N 135 121.739 121.739 121.068 0.671 19413 12758 1 15 . 1 1 135 135 ALA HA H 135 4.164 4.164 4.104 0.060 19413 12759 1 15 . 1 1 135 135 ALA CA C 135 54.929 54.929 54.826 0.103 19413 12760 1 15 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.136 -0.710 19413 12761 1 15 . 1 1 135 135 ALA H H 135 7.513 7.513 8.195 -0.682 19413 12762 1 15 . 1 1 136 136 GLN N N 136 119.033 119.033 117.704 1.329 19413 12763 1 15 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.879 0.197 19413 12764 1 15 . 1 1 136 136 GLN CA C 136 59.109 59.109 59.187 -0.078 19413 12765 1 15 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.582 0.503 19413 12766 1 15 . 1 1 136 136 GLN H H 136 8.473 8.473 8.180 0.293 19413 12767 1 15 . 1 1 137 137 GLN N N 137 119.734 119.734 117.536 2.198 19413 12768 1 15 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.205 -0.693 19413 12769 1 15 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.347 1.535 19413 12770 1 15 . 1 1 137 137 GLN CB C 137 30.843 30.843 27.644 3.199 19413 12771 1 15 . 1 1 137 137 GLN H H 137 7.995 7.995 7.762 0.233 19413 12772 1 15 . 1 1 138 138 GLU N N 138 121.309 121.309 120.677 0.632 19413 12773 1 15 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.042 -0.107 19413 12774 1 15 . 1 1 138 138 GLU CA C 138 58.977 58.977 58.648 0.329 19413 12775 1 15 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.127 -0.162 19413 12776 1 15 . 1 1 138 138 GLU H H 138 8.291 8.291 8.276 0.015 19413 12777 1 15 . 1 1 139 139 LYS N N 139 122.121 122.121 119.162 2.959 19413 12778 1 15 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.143 -0.026 19413 12779 1 15 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.769 0.155 19413 12780 1 15 . 1 1 139 139 LYS CB C 139 32.592 32.592 33.112 -0.520 19413 12781 1 15 . 1 1 139 139 LYS H H 139 8.603 8.603 7.739 0.864 19413 12782 1 15 . 1 1 140 140 ALA N N 140 120.286 120.286 119.932 0.354 19413 12783 1 15 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.190 0.220 19413 12784 1 15 . 1 1 140 140 ALA CA C 140 55.063 55.063 54.281 0.782 19413 12785 1 15 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.981 -0.535 19413 12786 1 15 . 1 1 140 140 ALA H H 140 8.140 8.140 7.890 0.250 19413 12787 1 15 . 1 1 141 141 ALA N N 141 116.994 116.994 115.407 1.587 19413 12788 1 15 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.862 -1.214 19413 12789 1 15 . 1 1 141 141 ALA CA C 141 54.515 54.515 51.499 3.016 19413 12790 1 15 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.196 -2.195 19413 12791 1 15 . 1 1 141 141 ALA H H 141 7.251 7.251 8.041 -0.790 19413 12792 1 15 . 1 1 142 142 ALA N N 142 121.272 121.272 119.386 1.886 19413 12793 1 15 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.754 -0.570 19413 12794 1 15 . 1 1 142 142 ALA CA C 142 54.657 54.657 51.713 2.944 19413 12795 1 15 . 1 1 142 142 ALA CB C 142 18.217 18.217 19.952 -1.735 19413 12796 1 15 . 1 1 142 142 ALA H H 142 7.940 7.940 7.576 0.364 19413 12797 1 15 . 1 1 143 143 ASP N N 143 121.599 121.599 121.578 0.021 19413 12798 1 15 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.429 -0.093 19413 12799 1 15 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.508 0.467 19413 12800 1 15 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.530 -1.495 19413 12801 1 15 . 1 1 143 143 ASP H H 143 9.272 9.272 8.304 0.968 19413 12802 1 15 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.610 -0.499 19413 12803 1 15 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.845 -1.298 19413 12804 1 15 . 1 1 144 144 LEU CB C 144 41.055 41.055 40.784 0.271 19413 12805 1 15 . 1 1 145 145 GLN N N 145 116.940 116.940 118.732 -1.792 19413 12806 1 15 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.466 -0.714 19413 12807 1 15 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.315 -0.492 19413 12808 1 15 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.771 -3.639 19413 12809 1 15 . 1 1 145 145 GLN H H 145 7.750 7.750 8.163 -0.413 19413 12810 1 15 . 1 1 146 146 LEU N N 146 119.399 119.399 123.246 -3.847 19413 12811 1 15 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.720 -0.834 19413 12812 1 15 . 1 1 146 146 LEU CA C 146 56.313 56.313 54.634 1.679 19413 12813 1 15 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.731 0.411 19413 12814 1 15 . 1 1 146 146 LEU H H 146 7.516 7.516 8.157 -0.641 19413 12815 1 15 . 1 1 147 147 GLN N N 147 123.118 123.118 123.601 -0.483 19413 12816 1 15 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.899 -0.752 19413 12817 1 15 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.667 -0.800 19413 12818 1 15 . 1 1 147 147 GLN CB C 147 30.525 30.525 30.905 -0.380 19413 12819 1 15 . 1 1 147 147 GLN H H 147 8.895 8.895 8.655 0.240 19413 12820 1 15 . 1 1 148 148 GLY N N 148 106.555 106.555 108.492 -1.937 19413 12821 1 15 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.855 0.249 19413 12822 1 15 . 1 1 148 148 GLY H H 148 7.275 7.275 8.343 -1.068 19413 12823 1 15 . 1 1 149 149 VAL N N 149 110.030 110.030 118.214 -8.184 19413 12824 1 15 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.047 0.424 19413 12825 1 15 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.784 -1.147 19413 12826 1 15 . 1 1 149 149 VAL CB C 149 34.682 34.682 31.178 3.504 19413 12827 1 15 . 1 1 149 149 VAL H H 149 8.267 8.267 7.470 0.797 19413 12828 1 15 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.566 0.244 19413 12829 1 15 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.326 -0.182 19413 12830 1 15 . 1 1 150 150 PRO CB C 150 34.926 34.926 31.597 3.329 19413 12831 1 15 . 1 1 151 151 ALA N N 151 123.567 123.567 129.880 -6.313 19413 12832 1 15 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.485 0.400 19413 12833 1 15 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.383 0.242 19413 12834 1 15 . 1 1 151 151 ALA CB C 151 24.847 24.847 20.797 4.050 19413 12835 1 15 . 1 1 151 151 ALA H H 151 8.249 8.249 8.282 -0.033 19413 12836 1 15 . 1 1 152 152 MET N N 152 121.866 121.866 122.700 -0.834 19413 12837 1 15 . 1 1 152 152 MET HA H 152 5.724 5.724 4.839 0.885 19413 12838 1 15 . 1 1 152 152 MET CA C 152 55.487 55.487 53.261 2.225 19413 12839 1 15 . 1 1 152 152 MET CB C 152 36.830 36.830 32.376 4.454 19413 12840 1 15 . 1 1 152 152 MET H H 152 8.610 8.610 8.672 -0.062 19413 12841 1 15 . 1 1 153 153 TYR N N 153 124.782 124.782 123.115 1.667 19413 12842 1 15 . 1 1 153 153 TYR HA H 153 5.754 5.754 4.866 0.888 19413 12843 1 15 . 1 1 153 153 TYR CA C 153 56.208 56.208 59.635 -3.427 19413 12844 1 15 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.316 3.674 19413 12845 1 15 . 1 1 153 153 TYR H H 153 9.685 9.685 8.294 1.391 19413 12846 1 15 . 1 1 154 154 VAL N N 154 121.914 121.914 116.775 5.139 19413 12847 1 15 . 1 1 154 154 VAL CB C 154 34.660 34.660 33.687 0.973 19413 12848 1 15 . 1 1 154 154 VAL H H 154 9.441 9.441 8.178 1.262 19413 12849 1 15 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.819 -0.080 19413 12850 1 15 . 1 1 155 155 ASN CA C 155 54.473 54.473 53.054 1.419 19413 12851 1 15 . 1 1 155 155 ASN CB C 155 37.154 37.154 40.044 -2.890 19413 12852 1 15 . 1 1 156 156 GLY N N 156 106.059 106.059 109.597 -3.538 19413 12853 1 15 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.551 -0.365 19413 12854 1 15 . 1 1 156 156 GLY H H 156 9.354 9.354 8.812 0.542 19413 12855 1 15 . 1 1 157 157 LYS N N 157 114.357 114.357 118.262 -3.905 19413 12856 1 15 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.336 0.216 19413 12857 1 15 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.743 0.012 19413 12858 1 15 . 1 1 157 157 LYS CB C 157 36.788 36.788 33.380 3.408 19413 12859 1 15 . 1 1 157 157 LYS H H 157 7.877 7.877 7.614 0.263 19413 12860 1 15 . 1 1 158 158 TYR N N 158 117.900 117.900 118.162 -0.262 19413 12861 1 15 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.540 0.324 19413 12862 1 15 . 1 1 158 158 TYR CA C 158 54.856 54.856 54.939 -0.083 19413 12863 1 15 . 1 1 158 158 TYR CB C 158 42.879 42.879 40.886 1.993 19413 12864 1 15 . 1 1 158 158 TYR H H 158 7.876 7.876 7.644 0.232 19413 12865 1 15 . 1 1 159 159 GLN N N 159 125.094 125.094 121.225 3.869 19413 12866 1 15 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.909 -0.156 19413 12867 1 15 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.727 -0.321 19413 12868 1 15 . 1 1 159 159 GLN CB C 159 31.849 31.849 32.931 -1.082 19413 12869 1 15 . 1 1 159 159 GLN H H 159 9.701 9.701 8.577 1.124 19413 12870 1 15 . 1 1 160 160 LEU N N 160 131.941 131.941 125.756 6.185 19413 12871 1 15 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.230 -0.219 19413 12872 1 15 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.324 -1.329 19413 12873 1 15 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.600 -1.525 19413 12874 1 15 . 1 1 160 160 LEU H H 160 8.551 8.551 8.029 0.522 19413 12875 1 15 . 1 1 161 161 ASN N N 161 118.639 118.639 121.616 -2.977 19413 12876 1 15 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.192 0.304 19413 12877 1 15 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.758 0.011 19413 12878 1 15 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.386 -0.475 19413 12879 1 15 . 1 1 161 161 ASN H H 161 8.285 8.285 8.205 0.080 19413 12880 1 15 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.984 -0.195 19413 12881 1 15 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.480 0.294 19413 12882 1 15 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.137 0.041 19413 12883 1 15 . 1 1 163 163 GLN N N 163 116.006 116.006 116.545 -0.539 19413 12884 1 15 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.628 -0.402 19413 12885 1 15 . 1 1 163 163 GLN CA C 163 57.966 57.966 55.384 2.582 19413 12886 1 15 . 1 1 163 163 GLN CB C 163 27.976 27.976 30.093 -2.118 19413 12887 1 15 . 1 1 163 163 GLN H H 163 8.086 8.086 8.055 0.031 19413 12888 1 15 . 1 1 164 164 GLY N N 164 107.393 107.393 107.977 -0.584 19413 12889 1 15 . 1 1 164 164 GLY CA C 164 44.603 44.603 45.421 -0.818 19413 12890 1 15 . 1 1 164 164 GLY H H 164 8.030 8.030 7.935 0.095 19413 12891 1 15 . 1 1 165 165 MET N N 165 119.802 119.802 117.275 2.527 19413 12892 1 15 . 1 1 165 165 MET HA H 165 4.636 4.636 4.734 -0.098 19413 12893 1 15 . 1 1 165 165 MET CA C 165 54.567 54.567 54.965 -0.398 19413 12894 1 15 . 1 1 165 165 MET CB C 165 34.464 34.464 36.909 -2.445 19413 12895 1 15 . 1 1 165 165 MET H H 165 7.451 7.451 7.721 -0.270 19413 12896 1 15 . 1 1 166 166 ASP N N 166 121.681 121.681 122.084 -0.403 19413 12897 1 15 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.772 -0.139 19413 12898 1 15 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.007 0.174 19413 12899 1 15 . 1 1 166 166 ASP CB C 166 40.653 40.653 39.777 0.876 19413 12900 1 15 . 1 1 166 166 ASP H H 166 8.694 8.694 8.892 -0.198 19413 12901 1 15 . 1 1 167 167 THR N N 167 112.609 112.609 115.054 -2.445 19413 12902 1 15 . 1 1 167 167 THR HA H 167 4.224 4.224 4.282 -0.058 19413 12903 1 15 . 1 1 167 167 THR CA C 167 60.340 60.340 63.006 -2.666 19413 12904 1 15 . 1 1 167 167 THR CB C 167 68.416 68.416 67.993 0.423 19413 12905 1 15 . 1 1 167 167 THR H H 167 7.860 7.860 8.008 -0.148 19413 12906 1 15 . 1 1 168 168 SER N N 168 118.936 118.936 117.025 1.911 19413 12907 1 15 . 1 1 168 168 SER HA H 168 4.158 4.158 4.452 -0.294 19413 12908 1 15 . 1 1 168 168 SER CA C 168 60.874 60.874 60.014 0.860 19413 12909 1 15 . 1 1 168 168 SER CB C 168 63.123 63.123 64.133 -1.010 19413 12910 1 15 . 1 1 168 168 SER H H 168 8.739 8.739 8.284 0.455 19413 12911 1 15 . 1 1 169 169 ASN N N 169 117.875 117.875 118.062 -0.187 19413 12912 1 15 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.973 -0.200 19413 12913 1 15 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.154 -0.806 19413 12914 1 15 . 1 1 169 169 ASN CB C 169 40.692 40.692 41.114 -0.422 19413 12915 1 15 . 1 1 169 169 ASN H H 169 7.341 7.341 7.682 -0.341 19413 12916 1 15 . 1 1 170 170 MET N N 170 123.431 123.431 116.990 6.441 19413 12917 1 15 . 1 1 170 170 MET HA H 170 4.600 4.600 3.906 0.694 19413 12918 1 15 . 1 1 170 170 MET CA C 170 57.233 57.233 58.757 -1.524 19413 12919 1 15 . 1 1 170 170 MET CB C 170 32.751 32.751 30.026 2.725 19413 12920 1 15 . 1 1 170 170 MET H H 170 9.186 9.186 8.431 0.755 19413 12921 1 15 . 1 1 171 171 ASP N N 171 120.825 120.825 119.857 0.968 19413 12922 1 15 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.358 0.135 19413 12923 1 15 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.714 -0.208 19413 12924 1 15 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.502 -1.714 19413 12925 1 15 . 1 1 171 171 ASP H H 171 8.232 8.232 8.120 0.112 19413 12926 1 15 . 1 1 172 172 VAL N N 172 122.666 122.666 117.618 5.048 19413 12927 1 15 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.798 -0.020 19413 12928 1 15 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.307 0.232 19413 12929 1 15 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.737 0.118 19413 12930 1 15 . 1 1 172 172 VAL H H 172 7.872 7.872 7.971 -0.099 19413 12931 1 15 . 1 1 173 173 PHE N N 173 121.872 121.872 121.894 -0.022 19413 12932 1 15 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.135 0.245 19413 12933 1 15 . 1 1 173 173 PHE CA C 173 61.464 61.464 62.023 -0.559 19413 12934 1 15 . 1 1 173 173 PHE CB C 173 39.274 39.274 39.236 0.038 19413 12935 1 15 . 1 1 173 173 PHE H H 173 8.250 8.250 7.558 0.692 19413 12936 1 15 . 1 1 174 174 VAL N N 174 117.535 117.535 119.285 -1.750 19413 12937 1 15 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.315 -0.272 19413 12938 1 15 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.122 0.781 19413 12939 1 15 . 1 1 174 174 VAL CB C 174 31.371 31.371 31.335 0.036 19413 12940 1 15 . 1 1 174 174 VAL H H 174 8.138 8.138 7.839 0.299 19413 12941 1 15 . 1 1 175 175 ALA N N 175 121.129 121.129 122.725 -1.596 19413 12942 1 15 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.879 0.247 19413 12943 1 15 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.282 -0.514 19413 12944 1 15 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.239 -0.224 19413 12945 1 15 . 1 1 175 175 ALA H H 175 7.396 7.396 7.977 -0.581 19413 12946 1 15 . 1 1 176 176 GLN N N 176 120.043 120.043 117.378 2.665 19413 12947 1 15 . 1 1 176 176 GLN HA H 176 4.079 4.079 3.988 0.091 19413 12948 1 15 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.372 0.590 19413 12949 1 15 . 1 1 176 176 GLN CB C 176 28.049 28.049 28.944 -0.895 19413 12950 1 15 . 1 1 176 176 GLN H H 176 8.721 8.721 7.592 1.129 19413 12951 1 15 . 1 1 177 177 TYR N N 177 127.981 127.981 123.131 4.850 19413 12952 1 15 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.966 -0.375 19413 12953 1 15 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.370 0.192 19413 12954 1 15 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.070 -0.092 19413 12955 1 15 . 1 1 177 177 TYR H H 177 9.002 9.002 8.266 0.736 19413 12956 1 15 . 1 1 178 178 ALA N N 178 119.796 119.796 119.262 0.534 19413 12957 1 15 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.985 0.045 19413 12958 1 15 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.047 0.358 19413 12959 1 15 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.922 0.047 19413 12960 1 15 . 1 1 178 178 ALA H H 178 8.392 8.392 8.463 -0.071 19413 12961 1 15 . 1 1 179 179 ASP N N 179 117.823 117.823 118.130 -0.307 19413 12962 1 15 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.366 0.053 19413 12963 1 15 . 1 1 179 179 ASP CA C 179 57.296 57.296 56.927 0.369 19413 12964 1 15 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.625 1.178 19413 12965 1 15 . 1 1 179 179 ASP H H 179 8.379 8.379 7.597 0.782 19413 12966 1 15 . 1 1 180 180 THR N N 180 117.846 117.846 117.135 0.711 19413 12967 1 15 . 1 1 180 180 THR HA H 180 4.179 4.179 3.871 0.308 19413 12968 1 15 . 1 1 180 180 THR CA C 180 67.378 67.378 66.546 0.832 19413 12969 1 15 . 1 1 180 180 THR CB C 180 67.733 67.733 68.397 -0.664 19413 12970 1 15 . 1 1 180 180 THR H H 180 8.255 8.255 7.977 0.278 19413 12971 1 15 . 1 1 181 181 VAL N N 181 120.101 120.101 119.931 0.170 19413 12972 1 15 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.513 -0.332 19413 12973 1 15 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.410 1.370 19413 12974 1 15 . 1 1 181 181 VAL CB C 181 30.931 30.931 30.882 0.049 19413 12975 1 15 . 1 1 181 181 VAL H H 181 7.772 7.772 8.029 -0.257 19413 12976 1 15 . 1 1 182 182 LYS N N 182 119.144 119.144 118.697 0.447 19413 12977 1 15 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.991 -0.361 19413 12978 1 15 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.045 1.316 19413 12979 1 15 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.771 0.509 19413 12980 1 15 . 1 1 182 182 LYS H H 182 7.758 7.758 7.494 0.264 19413 12981 1 15 . 1 1 183 183 GLN N N 183 116.269 116.269 119.206 -2.937 19413 12982 1 15 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.034 -0.049 19413 12983 1 15 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.691 0.592 19413 12984 1 15 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.674 0.649 19413 12985 1 15 . 1 1 183 183 GLN H H 183 8.114 8.114 7.986 0.128 19413 12986 1 15 . 1 1 184 184 LEU N N 184 119.688 119.688 119.026 0.662 19413 12987 1 15 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.961 -0.326 19413 12988 1 15 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.350 0.691 19413 12989 1 15 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.709 0.351 19413 12990 1 15 . 1 1 184 184 LEU H H 184 8.000 8.000 7.471 0.529 19413 12991 1 15 . 1 1 185 185 VAL N N 185 121.017 121.017 116.973 4.044 19413 12992 1 15 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.843 -0.331 19413 12993 1 15 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.315 0.427 19413 12994 1 15 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.656 -0.092 19413 12995 1 15 . 1 1 185 185 VAL H H 185 8.494 8.494 7.609 0.885 19413 12996 1 15 . 1 1 186 186 GLU N N 186 117.535 117.535 117.475 0.060 19413 12997 1 15 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.368 -0.248 19413 12998 1 15 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.641 0.518 19413 12999 1 15 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.034 -0.245 19413 13000 1 15 . 1 1 186 186 GLU H H 186 7.541 7.541 7.600 -0.059 19413 13001 1 15 . 1 1 187 187 LYS N N 187 121.929 121.929 120.879 1.050 19413 13002 1 15 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.475 -0.349 19413 13003 1 15 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.055 2.693 19413 13004 1 15 . 1 1 187 187 LYS CB C 187 32.718 32.718 32.309 0.409 19413 13005 1 15 . 1 1 187 187 LYS H H 187 7.358 7.358 7.398 -0.040 19413 13006 1 16 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.322 0.449 19413 13007 1 16 . 1 1 0 0 ASN CA C 0 53.288 53.288 54.068 -0.780 19413 13008 1 16 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.444 0.477 19413 13009 1 16 . 1 1 1 1 ALA N N 1 125.275 125.275 121.315 3.960 19413 13010 1 16 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.875 0.444 19413 13011 1 16 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.624 -1.591 19413 13012 1 16 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.912 1.212 19413 13013 1 16 . 1 1 1 1 ALA H H 1 8.441 8.441 8.556 -0.115 19413 13014 1 16 . 1 1 2 2 GLN N N 2 121.120 121.120 116.681 4.439 19413 13015 1 16 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.577 -0.098 19413 13016 1 16 . 1 1 2 2 GLN CA C 2 55.413 55.413 54.384 1.029 19413 13017 1 16 . 1 1 2 2 GLN CB C 2 29.494 29.494 30.442 -0.948 19413 13018 1 16 . 1 1 2 2 GLN H H 2 8.334 8.334 7.698 0.636 19413 13019 1 16 . 1 1 3 3 ILE N N 3 120.380 120.380 119.362 1.018 19413 13020 1 16 . 1 1 3 3 ILE HA H 3 4.411 4.411 5.017 -0.606 19413 13021 1 16 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.373 1.420 19413 13022 1 16 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.346 -0.655 19413 13023 1 16 . 1 1 3 3 ILE H H 3 8.197 8.197 8.343 -0.146 19413 13024 1 16 . 1 1 4 4 THR N N 4 120.223 120.223 119.523 0.700 19413 13025 1 16 . 1 1 4 4 THR HA H 4 4.566 4.566 4.729 -0.163 19413 13026 1 16 . 1 1 4 4 THR CA C 4 61.500 61.500 61.359 0.141 19413 13027 1 16 . 1 1 4 4 THR CB C 4 71.727 71.727 71.069 0.658 19413 13028 1 16 . 1 1 4 4 THR H H 4 9.119 9.119 8.699 0.420 19413 13029 1 16 . 1 1 5 5 ASP N N 5 128.193 128.193 125.623 2.570 19413 13030 1 16 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.247 -0.101 19413 13031 1 16 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.810 0.539 19413 13032 1 16 . 1 1 5 5 ASP CB C 5 41.001 41.001 39.340 1.661 19413 13033 1 16 . 1 1 5 5 ASP H H 5 8.510 8.510 8.836 -0.326 19413 13034 1 16 . 1 1 6 6 GLY N N 6 117.400 117.400 114.270 3.130 19413 13035 1 16 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.002 -0.020 19413 13036 1 16 . 1 1 6 6 GLY H H 6 8.608 8.608 8.625 -0.017 19413 13037 1 16 . 1 1 7 7 LYS N N 7 122.122 122.122 120.419 1.703 19413 13038 1 16 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.532 0.070 19413 13039 1 16 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.518 0.146 19413 13040 1 16 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.678 -1.915 19413 13041 1 16 . 1 1 7 7 LYS H H 7 8.131 8.131 7.776 0.355 19413 13042 1 16 . 1 1 8 8 GLN N N 8 115.920 115.920 116.307 -0.387 19413 13043 1 16 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.677 -0.548 19413 13044 1 16 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.251 1.816 19413 13045 1 16 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.240 -3.154 19413 13046 1 16 . 1 1 8 8 GLN H H 8 8.548 8.548 8.197 0.351 19413 13047 1 16 . 1 1 9 9 TYR N N 9 112.118 112.118 114.530 -2.412 19413 13048 1 16 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.636 -0.518 19413 13049 1 16 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.894 -1.156 19413 13050 1 16 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.471 -0.294 19413 13051 1 16 . 1 1 9 9 TYR H H 9 7.572 7.572 7.354 0.218 19413 13052 1 16 . 1 1 10 10 ILE N N 10 119.488 119.488 119.481 0.007 19413 13053 1 16 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.525 0.056 19413 13054 1 16 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.420 0.578 19413 13055 1 16 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.445 0.558 19413 13056 1 16 . 1 1 10 10 ILE H H 10 9.365 9.365 8.820 0.545 19413 13057 1 16 . 1 1 11 11 THR N N 11 126.054 126.054 118.160 7.894 19413 13058 1 16 . 1 1 11 11 THR HA H 11 4.837 4.837 5.175 -0.338 19413 13059 1 16 . 1 1 11 11 THR CA C 11 63.376 63.376 60.758 2.618 19413 13060 1 16 . 1 1 11 11 THR CB C 11 68.487 68.487 70.050 -1.563 19413 13061 1 16 . 1 1 11 11 THR H H 11 9.153 9.153 8.208 0.945 19413 13062 1 16 . 1 1 12 12 LEU N N 12 129.370 129.370 124.905 4.465 19413 13063 1 16 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.442 -0.193 19413 13064 1 16 . 1 1 12 12 LEU CA C 12 55.286 55.286 55.044 0.242 19413 13065 1 16 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.661 -1.155 19413 13066 1 16 . 1 1 12 12 LEU H H 12 8.636 8.636 8.324 0.312 19413 13067 1 16 . 1 1 13 13 ASP N N 13 122.179 122.179 122.446 -0.267 19413 13068 1 16 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.499 -0.061 19413 13069 1 16 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.752 -0.028 19413 13070 1 16 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.350 -0.465 19413 13071 1 16 . 1 1 13 13 ASP H H 13 8.494 8.494 8.424 0.070 19413 13072 1 16 . 1 1 14 14 LYS N N 14 119.361 119.361 119.941 -0.580 19413 13073 1 16 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.655 0.107 19413 13074 1 16 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.870 -1.383 19413 13075 1 16 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.651 -0.748 19413 13076 1 16 . 1 1 14 14 LYS H H 14 7.714 7.714 8.160 -0.446 19413 13077 1 16 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.398 0.205 19413 13078 1 16 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.844 -0.583 19413 13079 1 16 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.316 2.381 19413 13080 1 16 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.362 -0.000 19413 13081 1 16 . 1 1 16 16 ILE CA C 16 58.576 58.576 61.654 -3.079 19413 13082 1 16 . 1 1 16 16 ILE CB C 16 38.242 38.242 38.418 -0.176 19413 13083 1 16 . 1 1 17 17 ALA N N 17 130.287 130.287 130.593 -0.306 19413 13084 1 16 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.415 -0.067 19413 13085 1 16 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.155 -0.504 19413 13086 1 16 . 1 1 17 17 ALA CB C 17 19.344 19.344 19.276 0.068 19413 13087 1 16 . 1 1 17 17 ALA H H 17 8.396 8.396 8.180 0.216 19413 13088 1 16 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.174 0.044 19413 13089 1 16 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.549 -0.148 19413 13090 1 16 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.299 1.093 19413 13091 1 16 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.780 -1.102 19413 13092 1 16 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.484 0.554 19413 13093 1 16 . 1 1 23 23 LEU CA C 23 52.966 52.966 55.052 -2.086 19413 13094 1 16 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.503 -0.390 19413 13095 1 16 . 1 1 24 24 GLU N N 24 127.720 127.720 121.863 5.857 19413 13096 1 16 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.168 0.437 19413 13097 1 16 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.946 -1.508 19413 13098 1 16 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.135 0.569 19413 13099 1 16 . 1 1 24 24 GLU H H 24 8.973 8.973 8.233 0.740 19413 13100 1 16 . 1 1 25 25 PHE N N 25 121.108 121.108 122.276 -1.168 19413 13101 1 16 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.688 0.378 19413 13102 1 16 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.835 -0.890 19413 13103 1 16 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.336 0.671 19413 13104 1 16 . 1 1 25 25 PHE H H 25 9.266 9.266 8.537 0.729 19413 13105 1 16 . 1 1 26 26 PHE N N 26 120.125 120.125 119.544 0.581 19413 13106 1 16 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.039 -0.258 19413 13107 1 16 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.529 -1.691 19413 13108 1 16 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.246 2.358 19413 13109 1 16 . 1 1 26 26 PHE H H 26 8.957 8.957 8.737 0.220 19413 13110 1 16 . 1 1 27 27 SER N N 27 109.643 109.643 114.893 -5.250 19413 13111 1 16 . 1 1 27 27 SER HA H 27 3.584 3.584 4.449 -0.865 19413 13112 1 16 . 1 1 27 27 SER CA C 27 54.556 54.556 55.049 -0.493 19413 13113 1 16 . 1 1 27 27 SER CB C 27 64.711 64.711 65.963 -1.252 19413 13114 1 16 . 1 1 27 27 SER H H 27 6.543 6.543 8.350 -1.807 19413 13115 1 16 . 1 1 28 28 PHE N N 28 132.096 132.096 120.883 11.213 19413 13116 1 16 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.553 0.814 19413 13117 1 16 . 1 1 28 28 PHE CA C 28 62.530 62.530 56.775 5.755 19413 13118 1 16 . 1 1 28 28 PHE CB C 28 38.643 38.643 37.359 1.284 19413 13119 1 16 . 1 1 28 28 PHE H H 28 11.199 11.199 8.722 2.477 19413 13120 1 16 . 1 1 29 29 TYR N N 29 115.582 115.582 116.316 -0.734 19413 13121 1 16 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.544 -0.175 19413 13122 1 16 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.633 1.212 19413 13123 1 16 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.789 0.992 19413 13124 1 16 . 1 1 29 29 TYR H H 29 8.619 8.619 7.623 0.996 19413 13125 1 16 . 1 1 30 30 CYS N N 30 121.025 121.025 118.670 2.355 19413 13126 1 16 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.991 0.015 19413 13127 1 16 . 1 1 30 30 CYS CA C 30 52.459 52.459 54.781 -2.322 19413 13128 1 16 . 1 1 30 30 CYS CB C 30 46.378 46.378 28.220 18.158 19413 13129 1 16 . 1 1 30 30 CYS H H 30 7.284 7.284 7.482 -0.198 19413 13130 1 16 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.851 0.226 19413 13131 1 16 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.635 1.338 19413 13132 1 16 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.480 -0.272 19413 13133 1 16 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.390 0.214 19413 13134 1 16 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.631 -2.184 19413 13135 1 16 . 1 1 32 32 HIS CB C 32 30.054 30.054 29.041 1.012 19413 13136 1 16 . 1 1 33 33 CYS N N 33 117.365 117.365 117.481 -0.116 19413 13137 1 16 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.322 0.217 19413 13138 1 16 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.691 0.501 19413 13139 1 16 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.200 7.643 19413 13140 1 16 . 1 1 33 33 CYS H H 33 8.921 8.921 8.604 0.317 19413 13141 1 16 . 1 1 34 34 TYR N N 34 123.491 123.491 120.955 2.536 19413 13142 1 16 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.348 -1.586 19413 13143 1 16 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.541 -2.108 19413 13144 1 16 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.434 -0.949 19413 13145 1 16 . 1 1 34 34 TYR H H 34 7.650 7.650 8.025 -0.375 19413 13146 1 16 . 1 1 35 35 GLN N N 35 118.639 118.639 116.835 1.804 19413 13147 1 16 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.987 -0.275 19413 13148 1 16 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.814 -0.404 19413 13149 1 16 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.123 -0.191 19413 13150 1 16 . 1 1 35 35 GLN H H 35 7.641 7.641 8.185 -0.544 19413 13151 1 16 . 1 1 36 36 PHE N N 36 121.254 121.254 116.298 4.956 19413 13152 1 16 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.672 -0.642 19413 13153 1 16 . 1 1 36 36 PHE CA C 36 60.801 60.801 59.176 1.625 19413 13154 1 16 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.803 0.116 19413 13155 1 16 . 1 1 36 36 PHE H H 36 8.721 8.721 8.364 0.357 19413 13156 1 16 . 1 1 37 37 GLU N N 37 116.279 116.279 116.195 0.084 19413 13157 1 16 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.254 0.073 19413 13158 1 16 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.616 2.168 19413 13159 1 16 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.872 -0.016 19413 13160 1 16 . 1 1 37 37 GLU H H 37 7.705 7.705 7.728 -0.023 19413 13161 1 16 . 1 1 38 38 GLU N N 38 112.285 112.285 115.637 -3.352 19413 13162 1 16 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.929 0.077 19413 13163 1 16 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.491 -0.913 19413 13164 1 16 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.546 -1.763 19413 13165 1 16 . 1 1 38 38 GLU H H 38 7.870 7.870 8.125 -0.255 19413 13166 1 16 . 1 1 39 39 VAL N N 39 117.365 117.365 118.547 -1.182 19413 13167 1 16 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.141 -0.133 19413 13168 1 16 . 1 1 39 39 VAL CA C 39 63.965 63.965 62.480 1.485 19413 13169 1 16 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.417 -1.057 19413 13170 1 16 . 1 1 39 39 VAL H H 39 6.850 6.850 7.186 -0.336 19413 13171 1 16 . 1 1 40 40 LEU N N 40 116.098 116.098 120.514 -4.416 19413 13172 1 16 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.253 -0.160 19413 13173 1 16 . 1 1 40 40 LEU CA C 40 55.099 55.099 53.613 1.486 19413 13174 1 16 . 1 1 40 40 LEU CB C 40 43.113 43.113 39.012 4.101 19413 13175 1 16 . 1 1 40 40 LEU H H 40 8.171 8.171 8.119 0.052 19413 13176 1 16 . 1 1 41 41 HIS N N 41 111.930 111.930 122.408 -10.478 19413 13177 1 16 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.304 0.202 19413 13178 1 16 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.719 -2.252 19413 13179 1 16 . 1 1 41 41 HIS CB C 41 25.603 25.603 27.377 -1.774 19413 13180 1 16 . 1 1 41 41 HIS H H 41 6.459 6.459 8.218 -1.759 19413 13181 1 16 . 1 1 42 42 VAL N N 42 120.465 120.465 124.558 -4.093 19413 13182 1 16 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.530 -0.502 19413 13183 1 16 . 1 1 42 42 VAL CA C 42 67.972 67.972 65.907 2.065 19413 13184 1 16 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.603 -0.717 19413 13185 1 16 . 1 1 42 42 VAL H H 42 8.621 8.621 8.174 0.447 19413 13186 1 16 . 1 1 43 43 SER N N 43 113.968 113.968 111.270 2.698 19413 13187 1 16 . 1 1 43 43 SER HA H 43 4.002 4.002 4.266 -0.264 19413 13188 1 16 . 1 1 43 43 SER CA C 43 61.242 61.242 59.401 1.841 19413 13189 1 16 . 1 1 43 43 SER CB C 43 62.565 62.565 61.936 0.629 19413 13190 1 16 . 1 1 43 43 SER H H 43 8.040 8.040 8.159 -0.119 19413 13191 1 16 . 1 1 44 44 ASP N N 44 121.731 121.731 120.350 1.381 19413 13192 1 16 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.807 -0.393 19413 13193 1 16 . 1 1 44 44 ASP CA C 44 57.232 57.232 54.381 2.851 19413 13194 1 16 . 1 1 44 44 ASP CB C 44 41.032 41.032 42.400 -1.368 19413 13195 1 16 . 1 1 44 44 ASP H H 44 8.215 8.215 7.482 0.733 19413 13196 1 16 . 1 1 45 45 ASN N N 45 118.906 118.906 119.154 -0.248 19413 13197 1 16 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.450 -0.178 19413 13198 1 16 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.272 1.050 19413 13199 1 16 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.913 0.714 19413 13200 1 16 . 1 1 45 45 ASN H H 45 7.860 7.860 7.765 0.095 19413 13201 1 16 . 1 1 46 46 VAL N N 46 119.934 119.934 118.708 1.226 19413 13202 1 16 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.711 -0.246 19413 13203 1 16 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.724 0.077 19413 13204 1 16 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.607 -0.258 19413 13205 1 16 . 1 1 46 46 VAL H H 46 8.583 8.583 7.498 1.085 19413 13206 1 16 . 1 1 47 47 ARG N N 47 119.655 119.655 120.423 -0.768 19413 13207 1 16 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.948 -0.127 19413 13208 1 16 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.458 0.344 19413 13209 1 16 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.497 0.841 19413 13210 1 16 . 1 1 47 47 ARG H H 47 8.522 8.522 8.422 0.100 19413 13211 1 16 . 1 1 48 48 GLN N N 48 115.072 115.072 117.827 -2.755 19413 13212 1 16 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.124 -0.006 19413 13213 1 16 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.251 -0.521 19413 13214 1 16 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.859 0.151 19413 13215 1 16 . 1 1 48 48 GLN H H 48 7.605 7.605 7.822 -0.217 19413 13216 1 16 . 1 1 49 49 LYS N N 49 116.858 116.858 115.397 1.461 19413 13217 1 16 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.478 -0.056 19413 13218 1 16 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.680 -0.875 19413 13219 1 16 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.358 -0.710 19413 13220 1 16 . 1 1 49 49 LYS H H 49 7.460 7.460 7.968 -0.508 19413 13221 1 16 . 1 1 50 50 LEU N N 50 119.786 119.786 122.905 -3.119 19413 13222 1 16 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.386 0.013 19413 13223 1 16 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.241 -0.313 19413 13224 1 16 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.969 -1.015 19413 13225 1 16 . 1 1 50 50 LEU H H 50 7.215 7.215 7.628 -0.413 19413 13226 1 16 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.521 -0.045 19413 13227 1 16 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.220 0.052 19413 13228 1 16 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.455 -1.001 19413 13229 1 16 . 1 1 52 52 GLU N N 52 126.400 126.400 121.976 4.424 19413 13230 1 16 . 1 1 52 52 GLU HA H 52 4.100 4.100 3.984 0.116 19413 13231 1 16 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.673 0.442 19413 13232 1 16 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.779 0.557 19413 13233 1 16 . 1 1 52 52 GLU H H 52 8.935 8.935 8.687 0.248 19413 13234 1 16 . 1 1 53 53 GLY N N 53 113.671 113.671 113.727 -0.056 19413 13235 1 16 . 1 1 53 53 GLY CA C 53 44.846 44.846 44.919 -0.072 19413 13236 1 16 . 1 1 53 53 GLY H H 53 8.948 8.948 8.257 0.691 19413 13237 1 16 . 1 1 54 54 THR N N 54 118.129 118.129 120.187 -2.058 19413 13238 1 16 . 1 1 54 54 THR HA H 54 4.161 4.161 4.136 0.025 19413 13239 1 16 . 1 1 54 54 THR CA C 54 63.707 63.707 63.306 0.401 19413 13240 1 16 . 1 1 54 54 THR CB C 54 68.784 68.784 68.267 0.516 19413 13241 1 16 . 1 1 54 54 THR H H 54 7.696 7.696 7.764 -0.068 19413 13242 1 16 . 1 1 55 55 LYS N N 55 129.892 129.892 125.796 4.096 19413 13243 1 16 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.420 -0.045 19413 13244 1 16 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.032 -0.197 19413 13245 1 16 . 1 1 55 55 LYS CB C 55 33.448 33.448 33.529 -0.081 19413 13246 1 16 . 1 1 55 55 LYS H H 55 8.757 8.757 8.113 0.644 19413 13247 1 16 . 1 1 56 56 MET N N 56 125.391 125.391 119.650 5.741 19413 13248 1 16 . 1 1 56 56 MET HA H 56 5.258 5.258 4.828 0.430 19413 13249 1 16 . 1 1 56 56 MET CA C 56 54.436 54.436 54.778 -0.342 19413 13250 1 16 . 1 1 56 56 MET CB C 56 34.394 34.394 34.025 0.369 19413 13251 1 16 . 1 1 56 56 MET H H 56 8.512 8.512 8.214 0.298 19413 13252 1 16 . 1 1 57 57 THR N N 57 124.711 124.711 114.421 10.290 19413 13253 1 16 . 1 1 57 57 THR HA H 57 4.390 4.390 4.609 -0.220 19413 13254 1 16 . 1 1 57 57 THR CA C 57 61.942 61.942 61.472 0.470 19413 13255 1 16 . 1 1 57 57 THR CB C 57 70.952 70.952 70.897 0.055 19413 13256 1 16 . 1 1 57 57 THR H H 57 8.830 8.830 8.305 0.525 19413 13257 1 16 . 1 1 58 58 LYS N N 58 126.113 126.113 121.907 4.206 19413 13258 1 16 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.643 0.639 19413 13259 1 16 . 1 1 58 58 LYS CA C 58 54.501 54.501 57.268 -2.767 19413 13260 1 16 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.028 1.389 19413 13261 1 16 . 1 1 58 58 LYS H H 58 8.739 8.739 8.360 0.379 19413 13262 1 16 . 1 1 59 59 TYR N N 59 127.472 127.472 121.912 5.560 19413 13263 1 16 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.684 0.942 19413 13264 1 16 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.779 -3.954 19413 13265 1 16 . 1 1 59 59 TYR CB C 59 40.685 40.685 39.755 0.930 19413 13266 1 16 . 1 1 59 59 TYR H H 59 9.524 9.524 8.766 0.758 19413 13267 1 16 . 1 1 60 60 HIS N N 60 123.656 123.656 116.246 7.410 19413 13268 1 16 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.830 -0.446 19413 13269 1 16 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.761 1.706 19413 13270 1 16 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.307 -0.488 19413 13271 1 16 . 1 1 60 60 HIS H H 60 9.284 9.284 7.880 1.404 19413 13272 1 16 . 1 1 61 61 VAL N N 61 112.397 112.397 112.711 -0.314 19413 13273 1 16 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.559 0.178 19413 13274 1 16 . 1 1 61 61 VAL CA C 61 58.079 58.079 60.176 -2.098 19413 13275 1 16 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.412 -1.527 19413 13276 1 16 . 1 1 61 61 VAL H H 61 6.262 6.262 7.748 -1.486 19413 13277 1 16 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.358 -0.317 19413 13278 1 16 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.182 0.146 19413 13279 1 16 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.391 0.361 19413 13280 1 16 . 1 1 63 63 PHE N N 63 111.215 111.215 121.034 -9.819 19413 13281 1 16 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.350 0.221 19413 13282 1 16 . 1 1 63 63 PHE CA C 63 57.709 57.709 58.756 -1.047 19413 13283 1 16 . 1 1 63 63 PHE CB C 63 37.605 37.605 38.976 -1.371 19413 13284 1 16 . 1 1 63 63 PHE H H 63 6.419 6.419 8.005 -1.586 19413 13285 1 16 . 1 1 64 64 LEU N N 64 119.701 119.701 119.553 0.148 19413 13286 1 16 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.410 0.285 19413 13287 1 16 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.079 -0.267 19413 13288 1 16 . 1 1 64 64 LEU CB C 64 44.338 44.338 46.042 -1.704 19413 13289 1 16 . 1 1 64 64 LEU H H 64 6.396 6.396 7.246 -0.850 19413 13290 1 16 . 1 1 65 65 GLY N N 65 108.957 108.957 107.733 1.224 19413 13291 1 16 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.861 -0.683 19413 13292 1 16 . 1 1 65 65 GLY H H 65 8.084 8.084 8.012 0.072 19413 13293 1 16 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.305 0.106 19413 13294 1 16 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.612 0.383 19413 13295 1 16 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.275 -0.484 19413 13296 1 16 . 1 1 67 67 LEU N N 67 114.479 114.479 119.391 -4.912 19413 13297 1 16 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.576 0.891 19413 13298 1 16 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.255 -1.362 19413 13299 1 16 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.641 -0.203 19413 13300 1 16 . 1 1 67 67 LEU H H 67 7.484 7.484 7.898 -0.414 19413 13301 1 16 . 1 1 68 68 GLY N N 68 108.957 108.957 110.020 -1.063 19413 13302 1 16 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.394 2.114 19413 13303 1 16 . 1 1 68 68 GLY H H 68 7.659 7.659 7.913 -0.254 19413 13304 1 16 . 1 1 69 69 LYS N N 69 124.459 124.459 120.750 3.709 19413 13305 1 16 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.008 0.038 19413 13306 1 16 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.184 2.853 19413 13307 1 16 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.045 -0.453 19413 13308 1 16 . 1 1 69 69 LYS H H 69 9.149 9.149 8.275 0.874 19413 13309 1 16 . 1 1 70 70 ASP N N 70 122.631 122.631 119.596 3.035 19413 13310 1 16 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.515 0.200 19413 13311 1 16 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.084 0.811 19413 13312 1 16 . 1 1 70 70 ASP CB C 70 42.157 42.157 41.035 1.121 19413 13313 1 16 . 1 1 70 70 ASP H H 70 8.519 8.519 7.422 1.097 19413 13314 1 16 . 1 1 71 71 LEU N N 71 119.276 119.276 120.317 -1.041 19413 13315 1 16 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.796 0.441 19413 13316 1 16 . 1 1 71 71 LEU CA C 71 57.277 57.277 57.640 -0.363 19413 13317 1 16 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.423 1.654 19413 13318 1 16 . 1 1 71 71 LEU H H 71 9.421 9.421 8.216 1.206 19413 13319 1 16 . 1 1 72 72 THR N N 72 119.204 119.204 112.810 6.394 19413 13320 1 16 . 1 1 72 72 THR HA H 72 4.033 4.033 2.961 1.072 19413 13321 1 16 . 1 1 72 72 THR CA C 72 67.403 67.403 65.551 1.852 19413 13322 1 16 . 1 1 72 72 THR CB C 72 68.170 68.170 67.638 0.532 19413 13323 1 16 . 1 1 72 72 THR H H 72 7.762 7.762 7.530 0.232 19413 13324 1 16 . 1 1 73 73 GLN N N 73 125.845 125.845 120.103 5.742 19413 13325 1 16 . 1 1 73 73 GLN HA H 73 3.663 3.663 4.020 -0.357 19413 13326 1 16 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.263 1.140 19413 13327 1 16 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.448 -2.889 19413 13328 1 16 . 1 1 73 73 GLN H H 73 7.822 7.822 7.668 0.154 19413 13329 1 16 . 1 1 74 74 ALA N N 74 123.013 123.013 123.027 -0.014 19413 13330 1 16 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.207 -0.074 19413 13331 1 16 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.220 -0.316 19413 13332 1 16 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.553 0.597 19413 13333 1 16 . 1 1 74 74 ALA H H 74 8.966 8.966 8.269 0.697 19413 13334 1 16 . 1 1 75 75 TRP N N 75 120.717 120.717 119.887 0.830 19413 13335 1 16 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.351 0.548 19413 13336 1 16 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.405 -1.333 19413 13337 1 16 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.940 -0.349 19413 13338 1 16 . 1 1 75 75 TRP H H 75 8.932 8.932 9.078 -0.146 19413 13339 1 16 . 1 1 76 76 ALA N N 76 119.394 119.394 121.489 -2.095 19413 13340 1 16 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.958 0.017 19413 13341 1 16 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.230 -0.352 19413 13342 1 16 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.239 1.926 19413 13343 1 16 . 1 1 76 76 ALA H H 76 7.650 7.650 7.741 -0.091 19413 13344 1 16 . 1 1 77 77 VAL N N 77 119.658 119.658 118.821 0.837 19413 13345 1 16 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.601 -0.377 19413 13346 1 16 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.190 0.718 19413 13347 1 16 . 1 1 77 77 VAL CB C 77 30.117 30.117 30.610 -0.493 19413 13348 1 16 . 1 1 77 77 VAL H H 77 8.074 8.074 7.498 0.576 19413 13349 1 16 . 1 1 78 78 ALA N N 78 121.951 121.951 122.680 -0.729 19413 13350 1 16 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.172 -0.148 19413 13351 1 16 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.258 -0.417 19413 13352 1 16 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.165 -0.666 19413 13353 1 16 . 1 1 78 78 ALA H H 78 8.421 8.421 7.555 0.866 19413 13354 1 16 . 1 1 79 79 ILE N N 79 118.384 118.384 118.561 -0.177 19413 13355 1 16 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.496 0.120 19413 13356 1 16 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.628 -0.644 19413 13357 1 16 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.647 0.549 19413 13358 1 16 . 1 1 79 79 ILE H H 79 8.122 8.122 8.098 0.024 19413 13359 1 16 . 1 1 80 80 ALA N N 80 124.708 124.708 121.871 2.837 19413 13360 1 16 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.109 -0.131 19413 13361 1 16 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.726 0.189 19413 13362 1 16 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.858 -0.753 19413 13363 1 16 . 1 1 80 80 ALA H H 80 8.694 8.694 7.830 0.864 19413 13364 1 16 . 1 1 81 81 LEU N N 81 114.303 114.303 117.466 -3.163 19413 13365 1 16 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.349 0.031 19413 13366 1 16 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.917 -0.335 19413 13367 1 16 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.432 0.780 19413 13368 1 16 . 1 1 81 81 LEU H H 81 8.469 8.469 7.746 0.723 19413 13369 1 16 . 1 1 82 82 GLY N N 82 112.196 112.196 108.293 3.903 19413 13370 1 16 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.744 1.214 19413 13371 1 16 . 1 1 82 82 GLY H H 82 7.955 7.955 7.771 0.184 19413 13372 1 16 . 1 1 83 83 VAL N N 83 109.426 109.426 111.400 -1.974 19413 13373 1 16 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.453 0.468 19413 13374 1 16 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.774 -1.592 19413 13375 1 16 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.753 -1.312 19413 13376 1 16 . 1 1 83 83 VAL H H 83 8.267 8.267 7.814 0.453 19413 13377 1 16 . 1 1 84 84 GLU N N 84 127.081 127.081 123.604 3.477 19413 13378 1 16 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.761 -0.177 19413 13379 1 16 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.262 1.094 19413 13380 1 16 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.044 0.926 19413 13381 1 16 . 1 1 84 84 GLU H H 84 10.566 10.566 8.613 1.953 19413 13382 1 16 . 1 1 85 85 ASP N N 85 117.467 117.467 119.231 -1.764 19413 13383 1 16 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.471 0.116 19413 13384 1 16 . 1 1 85 85 ASP CA C 85 56.279 56.279 57.136 -0.857 19413 13385 1 16 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.090 -0.359 19413 13386 1 16 . 1 1 85 85 ASP H H 85 8.946 8.946 8.805 0.141 19413 13387 1 16 . 1 1 86 86 LYS N N 86 119.121 119.121 116.990 2.131 19413 13388 1 16 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.061 0.358 19413 13389 1 16 . 1 1 86 86 LYS CA C 86 57.179 57.179 58.376 -1.197 19413 13390 1 16 . 1 1 86 86 LYS CB C 86 33.426 33.426 32.823 0.603 19413 13391 1 16 . 1 1 86 86 LYS H H 86 7.745 7.745 7.807 -0.062 19413 13392 1 16 . 1 1 87 87 ILE N N 87 108.193 108.193 110.606 -2.413 19413 13393 1 16 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.435 -0.197 19413 13394 1 16 . 1 1 87 87 ILE CA C 87 59.320 59.320 59.864 -0.544 19413 13395 1 16 . 1 1 87 87 ILE CB C 87 40.000 40.000 37.085 2.915 19413 13396 1 16 . 1 1 87 87 ILE H H 87 7.343 7.343 7.455 -0.112 19413 13397 1 16 . 1 1 88 88 THR N N 88 119.455 119.455 117.599 1.856 19413 13398 1 16 . 1 1 88 88 THR HA H 88 4.053 4.053 4.740 -0.687 19413 13399 1 16 . 1 1 88 88 THR CA C 88 69.780 69.780 64.892 4.888 19413 13400 1 16 . 1 1 88 88 THR CB C 88 68.491 68.491 70.685 -2.194 19413 13401 1 16 . 1 1 88 88 THR H H 88 7.746 7.746 7.939 -0.193 19413 13402 1 16 . 1 1 89 89 ALA N N 89 123.122 123.122 124.398 -1.276 19413 13403 1 16 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.694 -0.094 19413 13404 1 16 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.588 0.703 19413 13405 1 16 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.605 -1.408 19413 13406 1 16 . 1 1 89 89 ALA H H 89 9.125 9.125 7.830 1.295 19413 13407 1 16 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.301 0.115 19413 13408 1 16 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.505 -0.284 19413 13409 1 16 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.423 -0.012 19413 13410 1 16 . 1 1 91 91 MET N N 91 119.468 119.468 118.909 0.559 19413 13411 1 16 . 1 1 91 91 MET HA H 91 4.370 4.370 4.239 0.131 19413 13412 1 16 . 1 1 91 91 MET CA C 91 56.901 56.901 58.530 -1.629 19413 13413 1 16 . 1 1 91 91 MET CB C 91 30.059 30.059 32.316 -2.257 19413 13414 1 16 . 1 1 91 91 MET H H 91 8.176 8.176 7.817 0.359 19413 13415 1 16 . 1 1 92 92 PHE N N 92 120.720 120.720 117.422 3.298 19413 13416 1 16 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.238 0.280 19413 13417 1 16 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.513 3.370 19413 13418 1 16 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.368 0.956 19413 13419 1 16 . 1 1 92 92 PHE H H 92 8.650 8.650 8.952 -0.302 19413 13420 1 16 . 1 1 93 93 GLU N N 93 117.705 117.705 120.676 -2.971 19413 13421 1 16 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.051 0.015 19413 13422 1 16 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.911 -0.508 19413 13423 1 16 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.596 0.046 19413 13424 1 16 . 1 1 93 93 GLU H H 93 8.240 8.240 7.985 0.255 19413 13425 1 16 . 1 1 94 94 ALA N N 94 123.067 123.067 118.808 4.259 19413 13426 1 16 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.589 -0.138 19413 13427 1 16 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.284 0.711 19413 13428 1 16 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.110 -0.107 19413 13429 1 16 . 1 1 94 94 ALA H H 94 8.431 8.431 7.869 0.562 19413 13430 1 16 . 1 1 95 95 VAL N N 95 115.582 115.582 116.589 -1.007 19413 13431 1 16 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.831 -0.109 19413 13432 1 16 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.684 1.120 19413 13433 1 16 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.546 -0.807 19413 13434 1 16 . 1 1 95 95 VAL H H 95 8.467 8.467 7.283 1.184 19413 13435 1 16 . 1 1 96 96 GLN N N 96 113.295 113.295 117.986 -4.691 19413 13436 1 16 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.298 0.254 19413 13437 1 16 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.483 0.743 19413 13438 1 16 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.231 0.448 19413 13439 1 16 . 1 1 96 96 GLN H H 96 8.184 8.184 8.352 -0.168 19413 13440 1 16 . 1 1 97 97 LYS N N 97 118.621 118.621 120.338 -1.717 19413 13441 1 16 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.156 0.531 19413 13442 1 16 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.636 -1.477 19413 13443 1 16 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.953 -0.411 19413 13444 1 16 . 1 1 97 97 LYS H H 97 8.231 8.231 7.701 0.530 19413 13445 1 16 . 1 1 98 98 THR N N 98 110.486 110.486 109.485 1.001 19413 13446 1 16 . 1 1 98 98 THR HA H 98 4.285 4.285 4.247 0.038 19413 13447 1 16 . 1 1 98 98 THR CA C 98 62.420 62.420 63.225 -0.805 19413 13448 1 16 . 1 1 98 98 THR CB C 98 68.343 68.343 70.386 -2.043 19413 13449 1 16 . 1 1 98 98 THR H H 98 8.612 8.612 8.168 0.444 19413 13450 1 16 . 1 1 99 99 GLN N N 99 115.751 115.751 117.120 -1.369 19413 13451 1 16 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.059 0.126 19413 13452 1 16 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.114 -0.128 19413 13453 1 16 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.408 -0.785 19413 13454 1 16 . 1 1 99 99 GLN H H 99 6.979 6.979 8.069 -1.089 19413 13455 1 16 . 1 1 100 100 THR N N 100 108.660 108.660 114.437 -5.777 19413 13456 1 16 . 1 1 100 100 THR HA H 100 4.350 4.350 4.172 0.178 19413 13457 1 16 . 1 1 100 100 THR CA C 100 61.035 61.035 64.273 -3.238 19413 13458 1 16 . 1 1 100 100 THR CB C 100 68.306 68.306 69.401 -1.095 19413 13459 1 16 . 1 1 100 100 THR H H 100 8.362 8.362 7.635 0.727 19413 13460 1 16 . 1 1 101 101 VAL N N 101 121.417 121.417 121.918 -0.501 19413 13461 1 16 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.851 0.342 19413 13462 1 16 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.369 -2.402 19413 13463 1 16 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.231 0.118 19413 13464 1 16 . 1 1 101 101 VAL H H 101 7.376 7.376 7.898 -0.522 19413 13465 1 16 . 1 1 102 102 GLN N N 102 127.472 127.472 125.690 1.782 19413 13466 1 16 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.610 -0.046 19413 13467 1 16 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.976 -0.860 19413 13468 1 16 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.123 -1.355 19413 13469 1 16 . 1 1 102 102 GLN H H 102 9.583 9.583 8.544 1.039 19413 13470 1 16 . 1 1 103 103 SER N N 103 116.698 116.698 115.846 0.852 19413 13471 1 16 . 1 1 103 103 SER HA H 103 4.883 4.883 4.897 -0.014 19413 13472 1 16 . 1 1 103 103 SER CA C 103 56.423 56.423 57.169 -0.746 19413 13473 1 16 . 1 1 103 103 SER CB C 103 66.834 66.834 66.212 0.622 19413 13474 1 16 . 1 1 103 103 SER H H 103 8.539 8.539 8.566 -0.027 19413 13475 1 16 . 1 1 104 104 VAL N N 104 120.375 120.375 122.555 -2.180 19413 13476 1 16 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.722 0.018 19413 13477 1 16 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.038 -0.282 19413 13478 1 16 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.356 -0.427 19413 13479 1 16 . 1 1 104 104 VAL H H 104 8.929 8.929 8.739 0.190 19413 13480 1 16 . 1 1 105 105 ALA N N 105 125.255 125.255 119.553 5.702 19413 13481 1 16 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.047 -0.047 19413 13482 1 16 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.492 0.414 19413 13483 1 16 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.618 0.435 19413 13484 1 16 . 1 1 105 105 ALA H H 105 8.099 8.099 8.379 -0.280 19413 13485 1 16 . 1 1 106 106 ASP N N 106 118.317 118.317 119.014 -0.697 19413 13486 1 16 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.655 -0.280 19413 13487 1 16 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.452 0.212 19413 13488 1 16 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.124 1.643 19413 13489 1 16 . 1 1 106 106 ASP H H 106 7.603 7.603 8.319 -0.716 19413 13490 1 16 . 1 1 107 107 ILE N N 107 120.210 120.210 119.691 0.519 19413 13491 1 16 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.975 -0.644 19413 13492 1 16 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.361 1.248 19413 13493 1 16 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.976 -0.086 19413 13494 1 16 . 1 1 107 107 ILE H H 107 7.342 7.342 7.231 0.111 19413 13495 1 16 . 1 1 108 108 ARG N N 108 119.234 119.234 119.192 0.042 19413 13496 1 16 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.473 -0.676 19413 13497 1 16 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.913 -0.258 19413 13498 1 16 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.980 0.862 19413 13499 1 16 . 1 1 108 108 ARG H H 108 6.677 6.677 7.922 -1.245 19413 13500 1 16 . 1 1 109 109 LYS N N 109 117.662 117.662 120.033 -2.371 19413 13501 1 16 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.007 -0.161 19413 13502 1 16 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.090 0.129 19413 13503 1 16 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.409 0.565 19413 13504 1 16 . 1 1 109 109 LYS H H 109 7.164 7.164 7.365 -0.201 19413 13505 1 16 . 1 1 110 110 VAL N N 110 118.257 118.257 119.005 -0.748 19413 13506 1 16 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.736 -0.095 19413 13507 1 16 . 1 1 110 110 VAL CA C 110 66.062 66.062 65.902 0.160 19413 13508 1 16 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.015 0.209 19413 13509 1 16 . 1 1 110 110 VAL H H 110 7.269 7.269 7.555 -0.286 19413 13510 1 16 . 1 1 111 111 PHE N N 111 118.699 118.699 119.567 -0.868 19413 13511 1 16 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.147 -0.237 19413 13512 1 16 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.410 -0.930 19413 13513 1 16 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.317 0.106 19413 13514 1 16 . 1 1 111 111 PHE H H 111 7.411 7.411 7.689 -0.278 19413 13515 1 16 . 1 1 112 112 VAL N N 112 121.527 121.527 119.087 2.440 19413 13516 1 16 . 1 1 112 112 VAL HA H 112 4.611 4.611 4.037 0.575 19413 13517 1 16 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.718 -0.999 19413 13518 1 16 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.408 -0.037 19413 13519 1 16 . 1 1 112 112 VAL H H 112 8.424 8.424 7.556 0.868 19413 13520 1 16 . 1 1 113 113 ASP N N 113 124.032 124.032 122.483 1.549 19413 13521 1 16 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.414 0.033 19413 13522 1 16 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.242 -0.563 19413 13523 1 16 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.511 -1.231 19413 13524 1 16 . 1 1 113 113 ASP H H 113 9.048 9.048 8.632 0.416 19413 13525 1 16 . 1 1 114 114 ALA N N 114 121.399 121.399 119.247 2.152 19413 13526 1 16 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.270 0.197 19413 13527 1 16 . 1 1 114 114 ALA CA C 114 51.878 51.878 51.982 -0.104 19413 13528 1 16 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.043 -0.430 19413 13529 1 16 . 1 1 114 114 ALA H H 114 7.505 7.505 7.966 -0.461 19413 13530 1 16 . 1 1 115 115 GLY N N 115 105.755 105.755 106.859 -1.104 19413 13531 1 16 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.803 0.300 19413 13532 1 16 . 1 1 115 115 GLY H H 115 7.895 7.895 7.712 0.183 19413 13533 1 16 . 1 1 116 116 VAL N N 116 124.542 124.542 119.119 5.423 19413 13534 1 16 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.341 -0.321 19413 13535 1 16 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.462 1.139 19413 13536 1 16 . 1 1 116 116 VAL CB C 116 31.739 31.739 35.581 -3.842 19413 13537 1 16 . 1 1 116 116 VAL H H 116 8.095 8.095 7.552 0.543 19413 13538 1 16 . 1 1 117 117 LYS N N 117 128.363 128.363 124.404 3.959 19413 13539 1 16 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.322 -0.139 19413 13540 1 16 . 1 1 117 117 LYS CA C 117 57.085 57.085 56.564 0.521 19413 13541 1 16 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.501 -1.689 19413 13542 1 16 . 1 1 117 117 LYS H H 117 9.102 9.102 8.789 0.313 19413 13543 1 16 . 1 1 118 118 GLY N N 118 116.049 116.049 113.067 2.982 19413 13544 1 16 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.143 0.525 19413 13545 1 16 . 1 1 118 118 GLY H H 118 9.300 9.300 8.945 0.355 19413 13546 1 16 . 1 1 119 119 GLU N N 119 118.512 118.512 118.155 0.357 19413 13547 1 16 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.280 -0.054 19413 13548 1 16 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.559 0.963 19413 13549 1 16 . 1 1 119 119 GLU CB C 119 28.813 28.813 28.942 -0.129 19413 13550 1 16 . 1 1 119 119 GLU H H 119 9.501 9.501 8.669 0.832 19413 13551 1 16 . 1 1 120 120 ASP N N 120 121.262 121.262 119.566 1.696 19413 13552 1 16 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.659 -0.080 19413 13553 1 16 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.444 0.115 19413 13554 1 16 . 1 1 120 120 ASP CB C 120 39.632 39.632 42.252 -2.620 19413 13555 1 16 . 1 1 120 120 ASP H H 120 7.088 7.088 7.547 -0.459 19413 13556 1 16 . 1 1 121 121 TYR N N 121 123.619 123.619 121.529 2.090 19413 13557 1 16 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.004 -0.282 19413 13558 1 16 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.824 0.327 19413 13559 1 16 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.447 -0.445 19413 13560 1 16 . 1 1 121 121 TYR H H 121 7.986 7.986 7.836 0.150 19413 13561 1 16 . 1 1 122 122 ASP N N 122 119.702 119.702 118.069 1.633 19413 13562 1 16 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.525 -0.271 19413 13563 1 16 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.688 1.434 19413 13564 1 16 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.807 -1.196 19413 13565 1 16 . 1 1 122 122 ASP H H 122 8.812 8.812 8.262 0.550 19413 13566 1 16 . 1 1 123 123 ALA N N 123 121.138 121.138 121.944 -0.806 19413 13567 1 16 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.319 -0.093 19413 13568 1 16 . 1 1 123 123 ALA CA C 123 54.230 54.230 53.567 0.663 19413 13569 1 16 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.512 -1.386 19413 13570 1 16 . 1 1 123 123 ALA H H 123 7.696 7.696 7.441 0.255 19413 13571 1 16 . 1 1 124 124 ALA N N 124 120.299 120.299 122.923 -2.624 19413 13572 1 16 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.054 0.052 19413 13573 1 16 . 1 1 124 124 ALA CA C 124 54.326 54.326 55.036 -0.710 19413 13574 1 16 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.135 0.430 19413 13575 1 16 . 1 1 124 124 ALA H H 124 7.935 7.935 8.585 -0.650 19413 13576 1 16 . 1 1 125 125 TRP N N 125 121.357 121.357 120.950 0.407 19413 13577 1 16 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.422 -0.946 19413 13578 1 16 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.533 0.930 19413 13579 1 16 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.367 -0.990 19413 13580 1 16 . 1 1 125 125 TRP H H 125 8.948 8.948 7.917 1.031 19413 13581 1 16 . 1 1 126 126 ASN N N 126 110.817 110.817 111.933 -1.116 19413 13582 1 16 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.715 0.128 19413 13583 1 16 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.718 -0.196 19413 13584 1 16 . 1 1 126 126 ASN CB C 126 40.070 40.070 38.407 1.663 19413 13585 1 16 . 1 1 126 126 ASN H H 126 7.024 7.024 8.011 -0.987 19413 13586 1 16 . 1 1 127 127 SER N N 127 116.650 116.650 115.767 0.883 19413 13587 1 16 . 1 1 127 127 SER HA H 127 4.472 4.472 4.568 -0.096 19413 13588 1 16 . 1 1 127 127 SER CA C 127 58.535 58.535 57.135 1.400 19413 13589 1 16 . 1 1 127 127 SER CB C 127 65.513 65.513 64.939 0.574 19413 13590 1 16 . 1 1 127 127 SER H H 127 7.831 7.831 7.760 0.071 19413 13591 1 16 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.315 -0.037 19413 13592 1 16 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.869 0.186 19413 13593 1 16 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.246 -0.878 19413 13594 1 16 . 1 1 129 129 VAL N N 129 120.058 120.058 118.831 1.227 19413 13595 1 16 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.685 0.029 19413 13596 1 16 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.902 -1.230 19413 13597 1 16 . 1 1 129 129 VAL CB C 129 31.778 31.778 30.996 0.782 19413 13598 1 16 . 1 1 129 129 VAL H H 129 8.340 8.340 7.626 0.714 19413 13599 1 16 . 1 1 130 130 VAL N N 130 122.552 122.552 118.760 3.792 19413 13600 1 16 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.616 -0.105 19413 13601 1 16 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.087 0.747 19413 13602 1 16 . 1 1 130 130 VAL CB C 130 31.224 31.224 30.870 0.354 19413 13603 1 16 . 1 1 130 130 VAL H H 130 7.163 7.163 7.610 -0.447 19413 13604 1 16 . 1 1 131 131 LYS N N 131 122.079 122.079 120.066 2.013 19413 13605 1 16 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.775 -0.019 19413 13606 1 16 . 1 1 131 131 LYS CA C 131 59.734 59.734 58.814 0.920 19413 13607 1 16 . 1 1 131 131 LYS CB C 131 31.518 31.518 30.991 0.527 19413 13608 1 16 . 1 1 131 131 LYS H H 131 7.852 7.852 7.418 0.434 19413 13609 1 16 . 1 1 132 132 SER N N 132 115.836 115.836 115.132 0.704 19413 13610 1 16 . 1 1 132 132 SER HA H 132 4.155 4.155 4.093 0.062 19413 13611 1 16 . 1 1 132 132 SER CA C 132 61.022 61.022 61.483 -0.461 19413 13612 1 16 . 1 1 132 132 SER CB C 132 62.309 62.309 62.949 -0.640 19413 13613 1 16 . 1 1 132 132 SER H H 132 8.258 8.258 8.056 0.202 19413 13614 1 16 . 1 1 133 133 LEU N N 133 124.754 124.754 122.539 2.215 19413 13615 1 16 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.940 0.257 19413 13616 1 16 . 1 1 133 133 LEU CA C 133 57.564 57.564 58.102 -0.539 19413 13617 1 16 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.044 2.117 19413 13618 1 16 . 1 1 133 133 LEU H H 133 8.140 8.140 7.762 0.378 19413 13619 1 16 . 1 1 134 134 VAL N N 134 123.461 123.461 119.503 3.958 19413 13620 1 16 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.687 -0.406 19413 13621 1 16 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.874 1.983 19413 13622 1 16 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.125 -0.269 19413 13623 1 16 . 1 1 134 134 VAL H H 134 8.718 8.718 8.436 0.282 19413 13624 1 16 . 1 1 135 135 ALA N N 135 121.739 121.739 119.801 1.938 19413 13625 1 16 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.882 0.282 19413 13626 1 16 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.451 -0.522 19413 13627 1 16 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.000 -0.574 19413 13628 1 16 . 1 1 135 135 ALA H H 135 7.513 7.513 8.009 -0.496 19413 13629 1 16 . 1 1 136 136 GLN N N 136 119.033 119.033 118.378 0.655 19413 13630 1 16 . 1 1 136 136 GLN HA H 136 4.076 4.076 4.001 0.075 19413 13631 1 16 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.639 0.470 19413 13632 1 16 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.681 0.404 19413 13633 1 16 . 1 1 136 136 GLN H H 136 8.473 8.473 7.839 0.634 19413 13634 1 16 . 1 1 137 137 GLN N N 137 119.734 119.734 117.097 2.637 19413 13635 1 16 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.150 -0.638 19413 13636 1 16 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.223 1.659 19413 13637 1 16 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.980 1.863 19413 13638 1 16 . 1 1 137 137 GLN H H 137 7.995 7.995 7.682 0.313 19413 13639 1 16 . 1 1 138 138 GLU N N 138 121.309 121.309 121.520 -0.211 19413 13640 1 16 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.075 -0.140 19413 13641 1 16 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.470 -0.493 19413 13642 1 16 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.157 -0.192 19413 13643 1 16 . 1 1 138 138 GLU H H 138 8.291 8.291 8.938 -0.647 19413 13644 1 16 . 1 1 139 139 LYS N N 139 122.121 122.121 118.935 3.186 19413 13645 1 16 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.119 -0.002 19413 13646 1 16 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.146 0.778 19413 13647 1 16 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.404 0.188 19413 13648 1 16 . 1 1 139 139 LYS H H 139 8.603 8.603 8.132 0.471 19413 13649 1 16 . 1 1 140 140 ALA N N 140 120.286 120.286 117.496 2.790 19413 13650 1 16 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.949 -0.539 19413 13651 1 16 . 1 1 140 140 ALA CA C 140 55.063 55.063 52.846 2.217 19413 13652 1 16 . 1 1 140 140 ALA CB C 140 18.446 18.446 20.814 -2.368 19413 13653 1 16 . 1 1 140 140 ALA H H 140 8.140 8.140 7.457 0.683 19413 13654 1 16 . 1 1 141 141 ALA N N 141 116.994 116.994 118.660 -1.666 19413 13655 1 16 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.063 -0.415 19413 13656 1 16 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.620 1.895 19413 13657 1 16 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.410 -2.409 19413 13658 1 16 . 1 1 141 141 ALA H H 141 7.251 7.251 8.079 -0.828 19413 13659 1 16 . 1 1 142 142 ALA N N 142 121.272 121.272 119.262 2.010 19413 13660 1 16 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.414 -0.230 19413 13661 1 16 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.639 2.018 19413 13662 1 16 . 1 1 142 142 ALA CB C 142 18.217 18.217 19.582 -1.365 19413 13663 1 16 . 1 1 142 142 ALA H H 142 7.940 7.940 8.312 -0.372 19413 13664 1 16 . 1 1 143 143 ASP N N 143 121.599 121.599 119.627 1.972 19413 13665 1 16 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.491 -0.155 19413 13666 1 16 . 1 1 143 143 ASP CA C 143 56.975 56.975 54.886 2.089 19413 13667 1 16 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.050 -1.016 19413 13668 1 16 . 1 1 143 143 ASP H H 143 9.272 9.272 8.154 1.118 19413 13669 1 16 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.891 0.220 19413 13670 1 16 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.474 -0.927 19413 13671 1 16 . 1 1 144 144 LEU CB C 144 41.055 41.055 39.221 1.834 19413 13672 1 16 . 1 1 145 145 GLN N N 145 116.940 116.940 118.500 -1.560 19413 13673 1 16 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.342 -0.590 19413 13674 1 16 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.265 -0.442 19413 13675 1 16 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.876 -2.744 19413 13676 1 16 . 1 1 145 145 GLN H H 145 7.750 7.750 7.908 -0.158 19413 13677 1 16 . 1 1 146 146 LEU N N 146 119.399 119.399 121.147 -1.748 19413 13678 1 16 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.225 -0.339 19413 13679 1 16 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.898 0.416 19413 13680 1 16 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.781 0.361 19413 13681 1 16 . 1 1 146 146 LEU H H 146 7.516 7.516 8.215 -0.699 19413 13682 1 16 . 1 1 147 147 GLN N N 147 123.118 123.118 114.360 8.758 19413 13683 1 16 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.637 0.510 19413 13684 1 16 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.098 -1.231 19413 13685 1 16 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.248 3.277 19413 13686 1 16 . 1 1 147 147 GLN H H 147 8.895 8.895 8.135 0.760 19413 13687 1 16 . 1 1 148 148 GLY N N 148 106.555 106.555 107.211 -0.656 19413 13688 1 16 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.429 0.675 19413 13689 1 16 . 1 1 148 148 GLY H H 148 7.275 7.275 7.929 -0.654 19413 13690 1 16 . 1 1 149 149 VAL N N 149 110.030 110.030 119.255 -9.225 19413 13691 1 16 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.539 -0.068 19413 13692 1 16 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.235 -0.598 19413 13693 1 16 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.737 1.945 19413 13694 1 16 . 1 1 149 149 VAL H H 149 8.267 8.267 8.088 0.179 19413 13695 1 16 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.919 -0.109 19413 13696 1 16 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.603 -0.459 19413 13697 1 16 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.533 2.393 19413 13698 1 16 . 1 1 151 151 ALA N N 151 123.567 123.567 122.447 1.120 19413 13699 1 16 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.687 0.198 19413 13700 1 16 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.210 0.415 19413 13701 1 16 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.710 2.137 19413 13702 1 16 . 1 1 151 151 ALA H H 151 8.249 8.249 8.742 -0.493 19413 13703 1 16 . 1 1 152 152 MET N N 152 121.866 121.866 121.067 0.799 19413 13704 1 16 . 1 1 152 152 MET HA H 152 5.724 5.724 5.155 0.569 19413 13705 1 16 . 1 1 152 152 MET CA C 152 55.487 55.487 55.413 0.073 19413 13706 1 16 . 1 1 152 152 MET CB C 152 36.830 36.830 35.461 1.369 19413 13707 1 16 . 1 1 152 152 MET H H 152 8.610 8.610 8.429 0.181 19413 13708 1 16 . 1 1 153 153 TYR N N 153 124.782 124.782 124.579 0.203 19413 13709 1 16 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.531 0.223 19413 13710 1 16 . 1 1 153 153 TYR CA C 153 56.208 56.208 56.641 -0.433 19413 13711 1 16 . 1 1 153 153 TYR CB C 153 42.990 42.990 41.480 1.510 19413 13712 1 16 . 1 1 153 153 TYR H H 153 9.685 9.685 9.332 0.353 19413 13713 1 16 . 1 1 154 154 VAL N N 154 121.914 121.914 118.898 3.016 19413 13714 1 16 . 1 1 154 154 VAL CB C 154 34.660 34.660 34.998 -0.339 19413 13715 1 16 . 1 1 154 154 VAL H H 154 9.441 9.441 8.988 0.453 19413 13716 1 16 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.309 0.430 19413 13717 1 16 . 1 1 155 155 ASN CA C 155 54.473 54.473 55.048 -0.575 19413 13718 1 16 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.467 -1.313 19413 13719 1 16 . 1 1 156 156 GLY N N 156 106.059 106.059 104.901 1.158 19413 13720 1 16 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.639 0.547 19413 13721 1 16 . 1 1 156 156 GLY H H 156 9.354 9.354 8.693 0.661 19413 13722 1 16 . 1 1 157 157 LYS N N 157 114.357 114.357 118.886 -4.529 19413 13723 1 16 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.424 0.128 19413 13724 1 16 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.724 1.030 19413 13725 1 16 . 1 1 157 157 LYS CB C 157 36.788 36.788 33.742 3.046 19413 13726 1 16 . 1 1 157 157 LYS H H 157 7.877 7.877 7.473 0.404 19413 13727 1 16 . 1 1 158 158 TYR N N 158 117.900 117.900 119.209 -1.309 19413 13728 1 16 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.722 0.142 19413 13729 1 16 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.264 -1.408 19413 13730 1 16 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.161 0.718 19413 13731 1 16 . 1 1 158 158 TYR H H 158 7.876 7.876 8.107 -0.231 19413 13732 1 16 . 1 1 159 159 GLN N N 159 125.094 125.094 120.671 4.423 19413 13733 1 16 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.116 -0.363 19413 13734 1 16 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.618 -0.213 19413 13735 1 16 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.306 -1.457 19413 13736 1 16 . 1 1 159 159 GLN H H 159 9.701 9.701 8.757 0.944 19413 13737 1 16 . 1 1 160 160 LEU N N 160 131.941 131.941 124.855 7.086 19413 13738 1 16 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.313 -0.302 19413 13739 1 16 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.394 -1.399 19413 13740 1 16 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.148 -1.073 19413 13741 1 16 . 1 1 160 160 LEU H H 160 8.551 8.551 8.173 0.378 19413 13742 1 16 . 1 1 161 161 ASN N N 161 118.639 118.639 121.774 -3.135 19413 13743 1 16 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.255 0.241 19413 13744 1 16 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.856 -0.087 19413 13745 1 16 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.612 -0.701 19413 13746 1 16 . 1 1 161 161 ASN H H 161 8.285 8.285 8.639 -0.354 19413 13747 1 16 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.709 0.080 19413 13748 1 16 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.030 -0.256 19413 13749 1 16 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.436 -0.258 19413 13750 1 16 . 1 1 163 163 GLN N N 163 116.006 116.006 117.330 -1.324 19413 13751 1 16 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.257 -0.031 19413 13752 1 16 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.401 0.565 19413 13753 1 16 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.614 -0.638 19413 13754 1 16 . 1 1 163 163 GLN H H 163 8.086 8.086 8.049 0.037 19413 13755 1 16 . 1 1 164 164 GLY N N 164 107.393 107.393 106.625 0.768 19413 13756 1 16 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.960 -0.357 19413 13757 1 16 . 1 1 164 164 GLY H H 164 8.030 8.030 7.750 0.280 19413 13758 1 16 . 1 1 165 165 MET N N 165 119.802 119.802 118.598 1.204 19413 13759 1 16 . 1 1 165 165 MET HA H 165 4.636 4.636 4.704 -0.068 19413 13760 1 16 . 1 1 165 165 MET CA C 165 54.567 54.567 54.511 0.056 19413 13761 1 16 . 1 1 165 165 MET CB C 165 34.464 34.464 36.158 -1.694 19413 13762 1 16 . 1 1 165 165 MET H H 165 7.451 7.451 7.774 -0.323 19413 13763 1 16 . 1 1 166 166 ASP N N 166 121.681 121.681 120.856 0.825 19413 13764 1 16 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.677 -0.044 19413 13765 1 16 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.509 -0.328 19413 13766 1 16 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.485 -0.832 19413 13767 1 16 . 1 1 166 166 ASP H H 166 8.694 8.694 8.681 0.013 19413 13768 1 16 . 1 1 167 167 THR N N 167 112.609 112.609 115.336 -2.727 19413 13769 1 16 . 1 1 167 167 THR HA H 167 4.224 4.224 4.687 -0.463 19413 13770 1 16 . 1 1 167 167 THR CA C 167 60.340 60.340 61.200 -0.860 19413 13771 1 16 . 1 1 167 167 THR CB C 167 68.416 68.416 69.136 -0.720 19413 13772 1 16 . 1 1 167 167 THR H H 167 7.860 7.860 8.358 -0.498 19413 13773 1 16 . 1 1 168 168 SER N N 168 118.936 118.936 116.166 2.770 19413 13774 1 16 . 1 1 168 168 SER HA H 168 4.158 4.158 4.511 -0.353 19413 13775 1 16 . 1 1 168 168 SER CA C 168 60.874 60.874 59.399 1.475 19413 13776 1 16 . 1 1 168 168 SER CB C 168 63.123 63.123 63.837 -0.714 19413 13777 1 16 . 1 1 168 168 SER H H 168 8.739 8.739 8.401 0.338 19413 13778 1 16 . 1 1 169 169 ASN N N 169 117.875 117.875 117.786 0.089 19413 13779 1 16 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.836 -0.063 19413 13780 1 16 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.462 -1.115 19413 13781 1 16 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.950 0.742 19413 13782 1 16 . 1 1 169 169 ASN H H 169 7.341 7.341 8.389 -1.048 19413 13783 1 16 . 1 1 170 170 MET N N 170 123.431 123.431 115.383 8.048 19413 13784 1 16 . 1 1 170 170 MET HA H 170 4.600 4.600 4.058 0.542 19413 13785 1 16 . 1 1 170 170 MET CA C 170 57.233 57.233 58.672 -1.439 19413 13786 1 16 . 1 1 170 170 MET CB C 170 32.751 32.751 30.234 2.517 19413 13787 1 16 . 1 1 170 170 MET H H 170 9.186 9.186 8.392 0.794 19413 13788 1 16 . 1 1 171 171 ASP N N 171 120.825 120.825 120.410 0.415 19413 13789 1 16 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.499 -0.006 19413 13790 1 16 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.998 -0.492 19413 13791 1 16 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.988 -1.200 19413 13792 1 16 . 1 1 171 171 ASP H H 171 8.232 8.232 8.149 0.083 19413 13793 1 16 . 1 1 172 172 VAL N N 172 122.666 122.666 118.590 4.076 19413 13794 1 16 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.827 -0.049 19413 13795 1 16 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.926 -0.387 19413 13796 1 16 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.231 0.624 19413 13797 1 16 . 1 1 172 172 VAL H H 172 7.872 7.872 8.300 -0.428 19413 13798 1 16 . 1 1 173 173 PHE N N 173 121.872 121.872 121.162 0.710 19413 13799 1 16 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.422 -0.042 19413 13800 1 16 . 1 1 173 173 PHE CA C 173 61.464 61.464 60.881 0.583 19413 13801 1 16 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.783 0.491 19413 13802 1 16 . 1 1 173 173 PHE H H 173 8.250 8.250 7.763 0.487 19413 13803 1 16 . 1 1 174 174 VAL N N 174 117.535 117.535 118.601 -1.066 19413 13804 1 16 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.246 -0.203 19413 13805 1 16 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.495 1.408 19413 13806 1 16 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.830 0.541 19413 13807 1 16 . 1 1 174 174 VAL H H 174 8.138 8.138 7.731 0.407 19413 13808 1 16 . 1 1 175 175 ALA N N 175 121.129 121.129 122.581 -1.452 19413 13809 1 16 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.958 0.168 19413 13810 1 16 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.003 -0.235 19413 13811 1 16 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.481 -0.466 19413 13812 1 16 . 1 1 175 175 ALA H H 175 7.396 7.396 8.039 -0.643 19413 13813 1 16 . 1 1 176 176 GLN N N 176 120.043 120.043 116.578 3.465 19413 13814 1 16 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.060 0.019 19413 13815 1 16 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.877 1.085 19413 13816 1 16 . 1 1 176 176 GLN CB C 176 28.049 28.049 28.925 -0.876 19413 13817 1 16 . 1 1 176 176 GLN H H 176 8.721 8.721 7.583 1.138 19413 13818 1 16 . 1 1 177 177 TYR N N 177 127.981 127.981 122.783 5.198 19413 13819 1 16 . 1 1 177 177 TYR HA H 177 3.591 3.591 4.031 -0.440 19413 13820 1 16 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.804 -0.242 19413 13821 1 16 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.208 -0.230 19413 13822 1 16 . 1 1 177 177 TYR H H 177 9.002 9.002 7.745 1.257 19413 13823 1 16 . 1 1 178 178 ALA N N 178 119.796 119.796 119.434 0.362 19413 13824 1 16 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.974 0.056 19413 13825 1 16 . 1 1 178 178 ALA CA C 178 55.405 55.405 54.971 0.434 19413 13826 1 16 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.837 0.132 19413 13827 1 16 . 1 1 178 178 ALA H H 178 8.392 8.392 7.986 0.406 19413 13828 1 16 . 1 1 179 179 ASP N N 179 117.823 117.823 117.801 0.022 19413 13829 1 16 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.403 0.016 19413 13830 1 16 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.022 0.274 19413 13831 1 16 . 1 1 179 179 ASP CB C 179 41.803 41.803 41.035 0.768 19413 13832 1 16 . 1 1 179 179 ASP H H 179 8.379 8.379 7.832 0.547 19413 13833 1 16 . 1 1 180 180 THR N N 180 117.846 117.846 116.542 1.304 19413 13834 1 16 . 1 1 180 180 THR HA H 180 4.179 4.179 3.958 0.221 19413 13835 1 16 . 1 1 180 180 THR CA C 180 67.378 67.378 65.268 2.110 19413 13836 1 16 . 1 1 180 180 THR CB C 180 67.733 67.733 68.603 -0.870 19413 13837 1 16 . 1 1 180 180 THR H H 180 8.255 8.255 7.909 0.346 19413 13838 1 16 . 1 1 181 181 VAL N N 181 120.101 120.101 119.417 0.684 19413 13839 1 16 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.511 -0.330 19413 13840 1 16 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.283 1.497 19413 13841 1 16 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.104 -0.173 19413 13842 1 16 . 1 1 181 181 VAL H H 181 7.772 7.772 8.364 -0.592 19413 13843 1 16 . 1 1 182 182 LYS N N 182 119.144 119.144 117.994 1.150 19413 13844 1 16 . 1 1 182 182 LYS HA H 182 3.630 3.630 4.054 -0.424 19413 13845 1 16 . 1 1 182 182 LYS CA C 182 60.361 60.361 58.554 1.807 19413 13846 1 16 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.851 0.429 19413 13847 1 16 . 1 1 182 182 LYS H H 182 7.758 7.758 7.568 0.190 19413 13848 1 16 . 1 1 183 183 GLN N N 183 116.269 116.269 120.203 -3.934 19413 13849 1 16 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.995 -0.010 19413 13850 1 16 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.638 0.645 19413 13851 1 16 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.608 0.715 19413 13852 1 16 . 1 1 183 183 GLN H H 183 8.114 8.114 7.827 0.287 19413 13853 1 16 . 1 1 184 184 LEU N N 184 119.688 119.688 118.765 0.923 19413 13854 1 16 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.811 -0.176 19413 13855 1 16 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.673 0.368 19413 13856 1 16 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.483 0.577 19413 13857 1 16 . 1 1 184 184 LEU H H 184 8.000 8.000 7.620 0.380 19413 13858 1 16 . 1 1 185 185 VAL N N 185 121.017 121.017 116.641 4.376 19413 13859 1 16 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.737 -0.225 19413 13860 1 16 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.529 0.213 19413 13861 1 16 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.732 -0.168 19413 13862 1 16 . 1 1 185 185 VAL H H 185 8.494 8.494 7.456 1.038 19413 13863 1 16 . 1 1 186 186 GLU N N 186 117.535 117.535 116.681 0.854 19413 13864 1 16 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.365 -0.245 19413 13865 1 16 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.167 0.992 19413 13866 1 16 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.807 -0.018 19413 13867 1 16 . 1 1 186 186 GLU H H 186 7.541 7.541 7.720 -0.179 19413 13868 1 16 . 1 1 187 187 LYS N N 187 121.929 121.929 120.496 1.433 19413 13869 1 16 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.416 -0.290 19413 13870 1 16 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.462 2.287 19413 13871 1 16 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.684 1.034 19413 13872 1 16 . 1 1 187 187 LYS H H 187 7.358 7.358 7.074 0.284 19413 13873 1 17 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.834 -0.063 19413 13874 1 17 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.142 0.146 19413 13875 1 17 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.023 -0.102 19413 13876 1 17 . 1 1 1 1 ALA N N 1 125.275 125.275 123.167 2.108 19413 13877 1 17 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.165 0.154 19413 13878 1 17 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.437 -0.404 19413 13879 1 17 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.135 1.989 19413 13880 1 17 . 1 1 1 1 ALA H H 1 8.441 8.441 8.179 0.262 19413 13881 1 17 . 1 1 2 2 GLN N N 2 121.120 121.120 118.924 2.196 19413 13882 1 17 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.521 -0.042 19413 13883 1 17 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.464 -0.051 19413 13884 1 17 . 1 1 2 2 GLN CB C 2 29.494 29.494 32.133 -2.639 19413 13885 1 17 . 1 1 2 2 GLN H H 2 8.334 8.334 8.131 0.203 19413 13886 1 17 . 1 1 3 3 ILE N N 3 120.380 120.380 121.104 -0.724 19413 13887 1 17 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.688 -0.277 19413 13888 1 17 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.683 1.110 19413 13889 1 17 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.321 -0.630 19413 13890 1 17 . 1 1 3 3 ILE H H 3 8.197 8.197 8.286 -0.089 19413 13891 1 17 . 1 1 4 4 THR N N 4 120.223 120.223 119.476 0.747 19413 13892 1 17 . 1 1 4 4 THR HA H 4 4.566 4.566 4.519 0.047 19413 13893 1 17 . 1 1 4 4 THR CA C 4 61.500 61.500 61.393 0.107 19413 13894 1 17 . 1 1 4 4 THR CB C 4 71.727 71.727 70.783 0.944 19413 13895 1 17 . 1 1 4 4 THR H H 4 9.119 9.119 8.356 0.763 19413 13896 1 17 . 1 1 5 5 ASP N N 5 128.193 128.193 124.884 3.309 19413 13897 1 17 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.044 0.102 19413 13898 1 17 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.503 0.846 19413 13899 1 17 . 1 1 5 5 ASP CB C 5 41.001 41.001 39.496 1.505 19413 13900 1 17 . 1 1 5 5 ASP H H 5 8.510 8.510 8.674 -0.164 19413 13901 1 17 . 1 1 6 6 GLY N N 6 117.400 117.400 114.571 2.829 19413 13902 1 17 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.154 -0.172 19413 13903 1 17 . 1 1 6 6 GLY H H 6 8.608 8.608 8.737 -0.129 19413 13904 1 17 . 1 1 7 7 LYS N N 7 122.122 122.122 120.127 1.995 19413 13905 1 17 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.499 0.103 19413 13906 1 17 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.501 0.163 19413 13907 1 17 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.626 -1.863 19413 13908 1 17 . 1 1 7 7 LYS H H 7 8.131 8.131 7.601 0.530 19413 13909 1 17 . 1 1 8 8 GLN N N 8 115.920 115.920 116.075 -0.155 19413 13910 1 17 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.395 -0.266 19413 13911 1 17 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.363 1.704 19413 13912 1 17 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.423 -3.337 19413 13913 1 17 . 1 1 8 8 GLN H H 8 8.548 8.548 7.718 0.830 19413 13914 1 17 . 1 1 9 9 TYR N N 9 112.118 112.118 113.611 -1.493 19413 13915 1 17 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.397 -0.279 19413 13916 1 17 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.735 -0.997 19413 13917 1 17 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.233 -0.056 19413 13918 1 17 . 1 1 9 9 TYR H H 9 7.572 7.572 7.365 0.207 19413 13919 1 17 . 1 1 10 10 ILE N N 10 119.488 119.488 118.607 0.881 19413 13920 1 17 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.508 0.073 19413 13921 1 17 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.429 0.569 19413 13922 1 17 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.555 0.448 19413 13923 1 17 . 1 1 10 10 ILE H H 10 9.365 9.365 9.179 0.186 19413 13924 1 17 . 1 1 11 11 THR N N 11 126.054 126.054 118.403 7.651 19413 13925 1 17 . 1 1 11 11 THR HA H 11 4.837 4.837 5.297 -0.460 19413 13926 1 17 . 1 1 11 11 THR CA C 11 63.376 63.376 61.424 1.952 19413 13927 1 17 . 1 1 11 11 THR CB C 11 68.487 68.487 69.918 -1.431 19413 13928 1 17 . 1 1 11 11 THR H H 11 9.153 9.153 8.220 0.933 19413 13929 1 17 . 1 1 12 12 LEU N N 12 129.370 129.370 125.397 3.973 19413 13930 1 17 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.327 -0.078 19413 13931 1 17 . 1 1 12 12 LEU CA C 12 55.286 55.286 55.438 -0.152 19413 13932 1 17 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.369 -0.863 19413 13933 1 17 . 1 1 12 12 LEU H H 12 8.636 8.636 8.429 0.207 19413 13934 1 17 . 1 1 13 13 ASP N N 13 122.179 122.179 122.575 -0.396 19413 13935 1 17 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.474 -0.036 19413 13936 1 17 . 1 1 13 13 ASP CA C 13 55.724 55.724 56.050 -0.327 19413 13937 1 17 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.229 -0.344 19413 13938 1 17 . 1 1 13 13 ASP H H 13 8.494 8.494 8.740 -0.246 19413 13939 1 17 . 1 1 14 14 LYS N N 14 119.361 119.361 119.584 -0.223 19413 13940 1 17 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.832 -0.070 19413 13941 1 17 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.464 -0.977 19413 13942 1 17 . 1 1 14 14 LYS CB C 14 32.903 32.903 32.972 -0.069 19413 13943 1 17 . 1 1 14 14 LYS H H 14 7.714 7.714 8.272 -0.558 19413 13944 1 17 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.582 0.021 19413 13945 1 17 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.841 -0.580 19413 13946 1 17 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.252 2.445 19413 13947 1 17 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.249 0.113 19413 13948 1 17 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.461 -1.885 19413 13949 1 17 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.434 -1.192 19413 13950 1 17 . 1 1 17 17 ALA N N 17 130.287 130.287 125.433 4.854 19413 13951 1 17 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.032 0.316 19413 13952 1 17 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.310 -0.659 19413 13953 1 17 . 1 1 17 17 ALA CB C 17 19.344 19.344 17.463 1.881 19413 13954 1 17 . 1 1 17 17 ALA H H 17 8.396 8.396 8.738 -0.342 19413 13955 1 17 . 1 1 18 18 GLY CA C 18 45.218 45.218 44.748 0.470 19413 13956 1 17 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.292 0.109 19413 13957 1 17 . 1 1 20 20 PRO CA C 20 63.392 63.392 63.958 -0.566 19413 13958 1 17 . 1 1 20 20 PRO CB C 20 31.678 31.678 31.920 -0.242 19413 13959 1 17 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.546 0.492 19413 13960 1 17 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.683 -1.717 19413 13961 1 17 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.586 -0.473 19413 13962 1 17 . 1 1 24 24 GLU N N 24 127.720 127.720 121.116 6.604 19413 13963 1 17 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.442 0.163 19413 13964 1 17 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.158 -1.720 19413 13965 1 17 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.443 0.261 19413 13966 1 17 . 1 1 24 24 GLU H H 24 8.973 8.973 8.211 0.762 19413 13967 1 17 . 1 1 25 25 PHE N N 25 121.108 121.108 121.545 -0.437 19413 13968 1 17 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.784 0.282 19413 13969 1 17 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.088 -1.143 19413 13970 1 17 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.409 0.597 19413 13971 1 17 . 1 1 25 25 PHE H H 25 9.266 9.266 9.185 0.081 19413 13972 1 17 . 1 1 26 26 PHE N N 26 120.125 120.125 121.594 -1.469 19413 13973 1 17 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.061 -0.280 19413 13974 1 17 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.105 -1.267 19413 13975 1 17 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.057 2.547 19413 13976 1 17 . 1 1 26 26 PHE H H 26 8.957 8.957 9.213 -0.256 19413 13977 1 17 . 1 1 27 27 SER N N 27 109.643 109.643 114.654 -5.011 19413 13978 1 17 . 1 1 27 27 SER HA H 27 3.584 3.584 4.453 -0.869 19413 13979 1 17 . 1 1 27 27 SER CA C 27 54.556 54.556 55.669 -1.113 19413 13980 1 17 . 1 1 27 27 SER CB C 27 64.711 64.711 65.475 -0.764 19413 13981 1 17 . 1 1 27 27 SER H H 27 6.543 6.543 8.279 -1.736 19413 13982 1 17 . 1 1 28 28 PHE N N 28 132.096 132.096 118.861 13.235 19413 13983 1 17 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.733 0.634 19413 13984 1 17 . 1 1 28 28 PHE CA C 28 62.530 62.530 55.734 6.796 19413 13985 1 17 . 1 1 28 28 PHE CB C 28 38.643 38.643 37.613 1.030 19413 13986 1 17 . 1 1 28 28 PHE H H 28 11.199 11.199 8.609 2.590 19413 13987 1 17 . 1 1 29 29 TYR N N 29 115.582 115.582 118.322 -2.740 19413 13988 1 17 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.506 -0.137 19413 13989 1 17 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.580 1.265 19413 13990 1 17 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.986 0.795 19413 13991 1 17 . 1 1 29 29 TYR H H 29 8.619 8.619 7.780 0.839 19413 13992 1 17 . 1 1 30 30 CYS N N 30 121.025 121.025 119.297 1.728 19413 13993 1 17 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.756 0.250 19413 13994 1 17 . 1 1 30 30 CYS CA C 30 52.459 52.459 56.090 -3.631 19413 13995 1 17 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.212 19.166 19413 13996 1 17 . 1 1 30 30 CYS H H 30 7.284 7.284 8.044 -0.760 19413 13997 1 17 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.766 0.311 19413 13998 1 17 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.553 1.420 19413 13999 1 17 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.308 -0.100 19413 14000 1 17 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.365 0.239 19413 14001 1 17 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.560 -2.113 19413 14002 1 17 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.965 1.089 19413 14003 1 17 . 1 1 33 33 CYS N N 33 117.365 117.365 117.226 0.139 19413 14004 1 17 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.203 0.336 19413 14005 1 17 . 1 1 33 33 CYS CA C 33 63.192 63.192 61.035 2.157 19413 14006 1 17 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.773 8.070 19413 14007 1 17 . 1 1 33 33 CYS H H 33 8.921 8.921 8.584 0.337 19413 14008 1 17 . 1 1 34 34 TYR N N 34 123.491 123.491 122.858 0.633 19413 14009 1 17 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.425 -1.663 19413 14010 1 17 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.591 -2.158 19413 14011 1 17 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.418 -0.933 19413 14012 1 17 . 1 1 34 34 TYR H H 34 7.650 7.650 7.827 -0.177 19413 14013 1 17 . 1 1 35 35 GLN N N 35 118.639 118.639 117.274 1.365 19413 14014 1 17 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.965 -0.253 19413 14015 1 17 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.919 -0.508 19413 14016 1 17 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.358 -0.425 19413 14017 1 17 . 1 1 35 35 GLN H H 35 7.641 7.641 8.120 -0.479 19413 14018 1 17 . 1 1 36 36 PHE N N 36 121.254 121.254 116.662 4.592 19413 14019 1 17 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.227 -0.197 19413 14020 1 17 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.191 0.610 19413 14021 1 17 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.563 0.356 19413 14022 1 17 . 1 1 36 36 PHE H H 36 8.721 8.721 8.497 0.224 19413 14023 1 17 . 1 1 37 37 GLU N N 37 116.279 116.279 115.092 1.187 19413 14024 1 17 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.284 0.043 19413 14025 1 17 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.353 1.431 19413 14026 1 17 . 1 1 37 37 GLU CB C 37 30.856 30.856 31.594 -0.738 19413 14027 1 17 . 1 1 37 37 GLU H H 37 7.705 7.705 7.732 -0.027 19413 14028 1 17 . 1 1 38 38 GLU N N 38 112.285 112.285 116.318 -4.033 19413 14029 1 17 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.293 -0.287 19413 14030 1 17 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.715 -1.137 19413 14031 1 17 . 1 1 38 38 GLU CB C 38 29.783 29.783 32.371 -2.588 19413 14032 1 17 . 1 1 38 38 GLU H H 38 7.870 7.870 8.045 -0.175 19413 14033 1 17 . 1 1 39 39 VAL N N 39 117.365 117.365 118.081 -0.716 19413 14034 1 17 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.133 -0.125 19413 14035 1 17 . 1 1 39 39 VAL CA C 39 63.965 63.965 62.994 0.971 19413 14036 1 17 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.922 -0.562 19413 14037 1 17 . 1 1 39 39 VAL H H 39 6.850 6.850 7.801 -0.951 19413 14038 1 17 . 1 1 40 40 LEU N N 40 116.098 116.098 116.449 -0.351 19413 14039 1 17 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.166 -0.073 19413 14040 1 17 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.387 -0.288 19413 14041 1 17 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.027 1.086 19413 14042 1 17 . 1 1 40 40 LEU H H 40 8.171 8.171 7.917 0.254 19413 14043 1 17 . 1 1 41 41 HIS N N 41 111.930 111.930 115.026 -3.096 19413 14044 1 17 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.273 0.233 19413 14045 1 17 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.243 -1.776 19413 14046 1 17 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.774 -1.171 19413 14047 1 17 . 1 1 41 41 HIS H H 41 6.459 6.459 7.355 -0.896 19413 14048 1 17 . 1 1 42 42 VAL N N 42 120.465 120.465 120.871 -0.406 19413 14049 1 17 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.471 -0.443 19413 14050 1 17 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.291 1.681 19413 14051 1 17 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.467 -0.581 19413 14052 1 17 . 1 1 42 42 VAL H H 42 8.621 8.621 8.224 0.397 19413 14053 1 17 . 1 1 43 43 SER N N 43 113.968 113.968 115.735 -1.767 19413 14054 1 17 . 1 1 43 43 SER HA H 43 4.002 4.002 3.944 0.058 19413 14055 1 17 . 1 1 43 43 SER CA C 43 61.242 61.242 62.271 -1.029 19413 14056 1 17 . 1 1 43 43 SER CB C 43 62.565 62.565 62.745 -0.180 19413 14057 1 17 . 1 1 43 43 SER H H 43 8.040 8.040 7.916 0.124 19413 14058 1 17 . 1 1 44 44 ASP N N 44 121.731 121.731 121.009 0.722 19413 14059 1 17 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.382 0.032 19413 14060 1 17 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.406 -0.174 19413 14061 1 17 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.620 0.412 19413 14062 1 17 . 1 1 44 44 ASP H H 44 8.215 8.215 8.719 -0.504 19413 14063 1 17 . 1 1 45 45 ASN N N 45 118.906 118.906 117.734 1.172 19413 14064 1 17 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.524 -0.252 19413 14065 1 17 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.054 1.268 19413 14066 1 17 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.942 0.685 19413 14067 1 17 . 1 1 45 45 ASN H H 45 7.860 7.860 7.785 0.075 19413 14068 1 17 . 1 1 46 46 VAL N N 46 119.934 119.934 118.868 1.066 19413 14069 1 17 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.792 -0.327 19413 14070 1 17 . 1 1 46 46 VAL CA C 46 66.801 66.801 65.428 1.373 19413 14071 1 17 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.300 0.049 19413 14072 1 17 . 1 1 46 46 VAL H H 46 8.583 8.583 8.235 0.348 19413 14073 1 17 . 1 1 47 47 ARG N N 47 119.655 119.655 121.009 -1.354 19413 14074 1 17 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.947 -0.126 19413 14075 1 17 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.622 0.180 19413 14076 1 17 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.908 0.430 19413 14077 1 17 . 1 1 47 47 ARG H H 47 8.522 8.522 8.411 0.111 19413 14078 1 17 . 1 1 48 48 GLN N N 48 115.072 115.072 117.333 -2.261 19413 14079 1 17 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.171 -0.053 19413 14080 1 17 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.151 -0.422 19413 14081 1 17 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.726 0.284 19413 14082 1 17 . 1 1 48 48 GLN H H 48 7.605 7.605 7.828 -0.223 19413 14083 1 17 . 1 1 49 49 LYS N N 49 116.858 116.858 115.305 1.553 19413 14084 1 17 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.542 -0.120 19413 14085 1 17 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.640 -0.835 19413 14086 1 17 . 1 1 49 49 LYS CB C 49 33.648 33.648 33.783 -0.135 19413 14087 1 17 . 1 1 49 49 LYS H H 49 7.460 7.460 8.109 -0.649 19413 14088 1 17 . 1 1 50 50 LEU N N 50 119.786 119.786 123.022 -3.236 19413 14089 1 17 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.375 0.024 19413 14090 1 17 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.331 -0.403 19413 14091 1 17 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.885 -0.931 19413 14092 1 17 . 1 1 50 50 LEU H H 50 7.215 7.215 7.415 -0.200 19413 14093 1 17 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.642 -0.166 19413 14094 1 17 . 1 1 51 51 PRO CA C 51 62.272 62.272 61.853 0.419 19413 14095 1 17 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.450 -0.997 19413 14096 1 17 . 1 1 52 52 GLU N N 52 126.400 126.400 118.933 7.467 19413 14097 1 17 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.146 -0.046 19413 14098 1 17 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.921 1.194 19413 14099 1 17 . 1 1 52 52 GLU CB C 52 29.336 29.336 27.521 1.815 19413 14100 1 17 . 1 1 52 52 GLU H H 52 8.935 8.935 8.646 0.289 19413 14101 1 17 . 1 1 53 53 GLY N N 53 113.671 113.671 112.015 1.656 19413 14102 1 17 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.373 -0.527 19413 14103 1 17 . 1 1 53 53 GLY H H 53 8.948 8.948 8.424 0.524 19413 14104 1 17 . 1 1 54 54 THR N N 54 118.129 118.129 116.310 1.819 19413 14105 1 17 . 1 1 54 54 THR HA H 54 4.161 4.161 4.027 0.134 19413 14106 1 17 . 1 1 54 54 THR CA C 54 63.707 63.707 64.458 -0.751 19413 14107 1 17 . 1 1 54 54 THR CB C 54 68.784 68.784 69.501 -0.717 19413 14108 1 17 . 1 1 54 54 THR H H 54 7.696 7.696 7.664 0.032 19413 14109 1 17 . 1 1 55 55 LYS N N 55 129.892 129.892 119.474 10.418 19413 14110 1 17 . 1 1 55 55 LYS HA H 55 4.375 4.375 3.958 0.417 19413 14111 1 17 . 1 1 55 55 LYS CA C 55 55.835 55.835 57.077 -1.242 19413 14112 1 17 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.944 0.504 19413 14113 1 17 . 1 1 55 55 LYS H H 55 8.757 8.757 8.131 0.626 19413 14114 1 17 . 1 1 56 56 MET N N 56 125.391 125.391 122.861 2.530 19413 14115 1 17 . 1 1 56 56 MET HA H 56 5.258 5.258 4.692 0.566 19413 14116 1 17 . 1 1 56 56 MET CA C 56 54.436 54.436 55.308 -0.872 19413 14117 1 17 . 1 1 56 56 MET CB C 56 34.394 34.394 33.979 0.415 19413 14118 1 17 . 1 1 56 56 MET H H 56 8.512 8.512 8.553 -0.041 19413 14119 1 17 . 1 1 57 57 THR N N 57 124.711 124.711 117.932 6.779 19413 14120 1 17 . 1 1 57 57 THR HA H 57 4.390 4.390 4.576 -0.186 19413 14121 1 17 . 1 1 57 57 THR CA C 57 61.942 61.942 60.667 1.275 19413 14122 1 17 . 1 1 57 57 THR CB C 57 70.952 70.952 70.254 0.698 19413 14123 1 17 . 1 1 57 57 THR H H 57 8.830 8.830 8.271 0.559 19413 14124 1 17 . 1 1 58 58 LYS N N 58 126.113 126.113 121.941 4.172 19413 14125 1 17 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.598 0.684 19413 14126 1 17 . 1 1 58 58 LYS CA C 58 54.501 54.501 57.034 -2.533 19413 14127 1 17 . 1 1 58 58 LYS CB C 58 35.417 35.417 33.789 1.628 19413 14128 1 17 . 1 1 58 58 LYS H H 58 8.739 8.739 8.363 0.376 19413 14129 1 17 . 1 1 59 59 TYR N N 59 127.472 127.472 122.595 4.877 19413 14130 1 17 . 1 1 59 59 TYR HA H 59 5.626 5.626 5.643 -0.017 19413 14131 1 17 . 1 1 59 59 TYR CA C 59 51.825 51.825 54.796 -2.971 19413 14132 1 17 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.211 0.474 19413 14133 1 17 . 1 1 59 59 TYR H H 59 9.524 9.524 8.983 0.541 19413 14134 1 17 . 1 1 60 60 HIS N N 60 123.656 123.656 117.536 6.120 19413 14135 1 17 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.250 -0.866 19413 14136 1 17 . 1 1 60 60 HIS CA C 60 55.467 55.467 52.997 2.470 19413 14137 1 17 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.425 -0.606 19413 14138 1 17 . 1 1 60 60 HIS H H 60 9.284 9.284 8.269 1.015 19413 14139 1 17 . 1 1 61 61 VAL N N 61 112.397 112.397 114.557 -2.160 19413 14140 1 17 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.616 0.121 19413 14141 1 17 . 1 1 61 61 VAL CA C 61 58.079 58.079 60.176 -2.097 19413 14142 1 17 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.169 -1.284 19413 14143 1 17 . 1 1 61 61 VAL H H 61 6.262 6.262 7.954 -1.692 19413 14144 1 17 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.549 -0.508 19413 14145 1 17 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.799 -0.471 19413 14146 1 17 . 1 1 62 62 GLU CB C 62 29.752 29.752 28.214 1.538 19413 14147 1 17 . 1 1 63 63 PHE N N 63 111.215 111.215 119.081 -7.866 19413 14148 1 17 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.607 -0.036 19413 14149 1 17 . 1 1 63 63 PHE CA C 63 57.709 57.709 57.810 -0.101 19413 14150 1 17 . 1 1 63 63 PHE CB C 63 37.605 37.605 42.580 -4.974 19413 14151 1 17 . 1 1 63 63 PHE H H 63 6.419 6.419 7.636 -1.217 19413 14152 1 17 . 1 1 64 64 LEU N N 64 119.701 119.701 121.121 -1.420 19413 14153 1 17 . 1 1 64 64 LEU HA H 64 4.695 4.695 3.965 0.730 19413 14154 1 17 . 1 1 64 64 LEU CA C 64 53.812 53.812 55.067 -1.255 19413 14155 1 17 . 1 1 64 64 LEU CB C 64 44.338 44.338 41.950 2.388 19413 14156 1 17 . 1 1 64 64 LEU H H 64 6.396 6.396 8.152 -1.756 19413 14157 1 17 . 1 1 65 65 GLY N N 65 108.957 108.957 108.984 -0.027 19413 14158 1 17 . 1 1 65 65 GLY CA C 65 43.178 43.178 44.165 -0.987 19413 14159 1 17 . 1 1 65 65 GLY H H 65 8.084 8.084 7.862 0.222 19413 14160 1 17 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.296 0.115 19413 14161 1 17 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.864 0.131 19413 14162 1 17 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.142 -0.351 19413 14163 1 17 . 1 1 67 67 LEU N N 67 114.479 114.479 118.546 -4.067 19413 14164 1 17 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.612 0.855 19413 14165 1 17 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.391 -1.498 19413 14166 1 17 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.966 -0.528 19413 14167 1 17 . 1 1 67 67 LEU H H 67 7.484 7.484 7.759 -0.275 19413 14168 1 17 . 1 1 68 68 GLY N N 68 108.957 108.957 109.094 -0.137 19413 14169 1 17 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.114 2.393 19413 14170 1 17 . 1 1 68 68 GLY H H 68 7.659 7.659 8.028 -0.369 19413 14171 1 17 . 1 1 69 69 LYS N N 69 124.459 124.459 121.193 3.266 19413 14172 1 17 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.253 -0.207 19413 14173 1 17 . 1 1 69 69 LYS CA C 69 61.036 61.036 57.821 3.215 19413 14174 1 17 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.032 -0.440 19413 14175 1 17 . 1 1 69 69 LYS H H 69 9.149 9.149 8.180 0.969 19413 14176 1 17 . 1 1 70 70 ASP N N 70 122.631 122.631 121.023 1.608 19413 14177 1 17 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.555 0.160 19413 14178 1 17 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.581 0.314 19413 14179 1 17 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.266 1.891 19413 14180 1 17 . 1 1 70 70 ASP H H 70 8.519 8.519 7.464 1.055 19413 14181 1 17 . 1 1 71 71 LEU N N 71 119.276 119.276 120.090 -0.814 19413 14182 1 17 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.724 0.513 19413 14183 1 17 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.403 -1.126 19413 14184 1 17 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.358 1.719 19413 14185 1 17 . 1 1 71 71 LEU H H 71 9.421 9.421 8.416 1.005 19413 14186 1 17 . 1 1 72 72 THR N N 72 119.204 119.204 114.219 4.985 19413 14187 1 17 . 1 1 72 72 THR HA H 72 4.033 4.033 3.456 0.577 19413 14188 1 17 . 1 1 72 72 THR CA C 72 67.403 67.403 66.519 0.884 19413 14189 1 17 . 1 1 72 72 THR CB C 72 68.170 68.170 68.023 0.147 19413 14190 1 17 . 1 1 72 72 THR H H 72 7.762 7.762 7.334 0.428 19413 14191 1 17 . 1 1 73 73 GLN N N 73 125.845 125.845 121.326 4.519 19413 14192 1 17 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.680 -0.017 19413 14193 1 17 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.529 0.874 19413 14194 1 17 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.239 -2.680 19413 14195 1 17 . 1 1 73 73 GLN H H 73 7.822 7.822 7.604 0.218 19413 14196 1 17 . 1 1 74 74 ALA N N 74 123.013 123.013 121.992 1.021 19413 14197 1 17 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.180 -0.047 19413 14198 1 17 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.953 -0.049 19413 14199 1 17 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.283 0.867 19413 14200 1 17 . 1 1 74 74 ALA H H 74 8.966 8.966 8.181 0.785 19413 14201 1 17 . 1 1 75 75 TRP N N 75 120.717 120.717 119.601 1.116 19413 14202 1 17 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.356 0.543 19413 14203 1 17 . 1 1 75 75 TRP CA C 75 59.072 59.072 59.872 -0.800 19413 14204 1 17 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.983 -0.392 19413 14205 1 17 . 1 1 75 75 TRP H H 75 8.932 8.932 8.762 0.170 19413 14206 1 17 . 1 1 76 76 ALA N N 76 119.394 119.394 121.045 -1.651 19413 14207 1 17 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.899 0.076 19413 14208 1 17 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.134 -0.256 19413 14209 1 17 . 1 1 76 76 ALA CB C 76 20.165 20.165 17.959 2.205 19413 14210 1 17 . 1 1 76 76 ALA H H 76 7.650 7.650 7.977 -0.327 19413 14211 1 17 . 1 1 77 77 VAL N N 77 119.658 119.658 118.757 0.901 19413 14212 1 17 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.632 -0.408 19413 14213 1 17 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.481 0.427 19413 14214 1 17 . 1 1 77 77 VAL CB C 77 30.117 30.117 30.879 -0.762 19413 14215 1 17 . 1 1 77 77 VAL H H 77 8.074 8.074 7.617 0.457 19413 14216 1 17 . 1 1 78 78 ALA N N 78 121.951 121.951 122.592 -0.641 19413 14217 1 17 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.109 -0.085 19413 14218 1 17 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.070 -0.229 19413 14219 1 17 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.053 -0.554 19413 14220 1 17 . 1 1 78 78 ALA H H 78 8.421 8.421 7.639 0.782 19413 14221 1 17 . 1 1 79 79 ILE N N 79 118.384 118.384 118.722 -0.338 19413 14222 1 17 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.654 -0.038 19413 14223 1 17 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.682 -0.698 19413 14224 1 17 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.754 0.442 19413 14225 1 17 . 1 1 79 79 ILE H H 79 8.122 8.122 8.100 0.022 19413 14226 1 17 . 1 1 80 80 ALA N N 80 124.708 124.708 121.664 3.044 19413 14227 1 17 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.080 -0.102 19413 14228 1 17 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.692 0.223 19413 14229 1 17 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.788 -0.683 19413 14230 1 17 . 1 1 80 80 ALA H H 80 8.694 8.694 7.828 0.866 19413 14231 1 17 . 1 1 81 81 LEU N N 81 114.303 114.303 115.924 -1.621 19413 14232 1 17 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.255 0.125 19413 14233 1 17 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.896 -0.314 19413 14234 1 17 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.696 0.517 19413 14235 1 17 . 1 1 81 81 LEU H H 81 8.469 8.469 7.418 1.051 19413 14236 1 17 . 1 1 82 82 GLY N N 82 112.196 112.196 107.027 5.169 19413 14237 1 17 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.241 1.717 19413 14238 1 17 . 1 1 82 82 GLY H H 82 7.955 7.955 7.749 0.206 19413 14239 1 17 . 1 1 83 83 VAL N N 83 109.426 109.426 111.853 -2.427 19413 14240 1 17 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.388 0.533 19413 14241 1 17 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.901 -1.719 19413 14242 1 17 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.431 -0.990 19413 14243 1 17 . 1 1 83 83 VAL H H 83 8.267 8.267 7.826 0.441 19413 14244 1 17 . 1 1 84 84 GLU N N 84 127.081 127.081 124.031 3.050 19413 14245 1 17 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.798 -0.214 19413 14246 1 17 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.649 0.707 19413 14247 1 17 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.256 0.714 19413 14248 1 17 . 1 1 84 84 GLU H H 84 10.566 10.566 8.626 1.940 19413 14249 1 17 . 1 1 85 85 ASP N N 85 117.467 117.467 115.646 1.821 19413 14250 1 17 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.528 0.059 19413 14251 1 17 . 1 1 85 85 ASP CA C 85 56.279 56.279 55.832 0.447 19413 14252 1 17 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.359 -0.627 19413 14253 1 17 . 1 1 85 85 ASP H H 85 8.946 8.946 8.709 0.237 19413 14254 1 17 . 1 1 86 86 LYS N N 86 119.121 119.121 116.989 2.132 19413 14255 1 17 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.343 0.076 19413 14256 1 17 . 1 1 86 86 LYS CA C 86 57.179 57.179 56.899 0.280 19413 14257 1 17 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.867 -0.441 19413 14258 1 17 . 1 1 86 86 LYS H H 86 7.745 7.745 7.895 -0.150 19413 14259 1 17 . 1 1 87 87 ILE N N 87 108.193 108.193 115.144 -6.951 19413 14260 1 17 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.447 -0.209 19413 14261 1 17 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.684 -1.364 19413 14262 1 17 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.005 1.995 19413 14263 1 17 . 1 1 87 87 ILE H H 87 7.343 7.343 7.539 -0.196 19413 14264 1 17 . 1 1 88 88 THR N N 88 119.455 119.455 116.932 2.523 19413 14265 1 17 . 1 1 88 88 THR HA H 88 4.053 4.053 4.428 -0.375 19413 14266 1 17 . 1 1 88 88 THR CA C 88 69.780 69.780 64.757 5.023 19413 14267 1 17 . 1 1 88 88 THR CB C 88 68.491 68.491 69.076 -0.585 19413 14268 1 17 . 1 1 88 88 THR H H 88 7.746 7.746 7.796 -0.050 19413 14269 1 17 . 1 1 89 89 ALA N N 89 123.122 123.122 124.390 -1.268 19413 14270 1 17 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.189 0.411 19413 14271 1 17 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.345 0.946 19413 14272 1 17 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.620 -1.423 19413 14273 1 17 . 1 1 89 89 ALA H H 89 9.125 9.125 8.675 0.450 19413 14274 1 17 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.292 0.124 19413 14275 1 17 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.732 -0.511 19413 14276 1 17 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.265 0.146 19413 14277 1 17 . 1 1 91 91 MET N N 91 119.468 119.468 118.350 1.118 19413 14278 1 17 . 1 1 91 91 MET HA H 91 4.370 4.370 4.337 0.033 19413 14279 1 17 . 1 1 91 91 MET CA C 91 56.901 56.901 58.612 -1.711 19413 14280 1 17 . 1 1 91 91 MET CB C 91 30.059 30.059 32.390 -2.331 19413 14281 1 17 . 1 1 91 91 MET H H 91 8.176 8.176 7.787 0.389 19413 14282 1 17 . 1 1 92 92 PHE N N 92 120.720 120.720 118.349 2.371 19413 14283 1 17 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.294 0.224 19413 14284 1 17 . 1 1 92 92 PHE CA C 92 63.883 63.883 59.666 4.217 19413 14285 1 17 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.259 1.065 19413 14286 1 17 . 1 1 92 92 PHE H H 92 8.650 8.650 8.719 -0.069 19413 14287 1 17 . 1 1 93 93 GLU N N 93 117.705 117.705 120.998 -3.293 19413 14288 1 17 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.047 0.019 19413 14289 1 17 . 1 1 93 93 GLU CA C 93 59.403 59.403 60.081 -0.678 19413 14290 1 17 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.767 -0.126 19413 14291 1 17 . 1 1 93 93 GLU H H 93 8.240 8.240 8.539 -0.299 19413 14292 1 17 . 1 1 94 94 ALA N N 94 123.067 123.067 119.365 3.702 19413 14293 1 17 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.498 -0.047 19413 14294 1 17 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.826 0.169 19413 14295 1 17 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.066 -0.063 19413 14296 1 17 . 1 1 94 94 ALA H H 94 8.431 8.431 8.020 0.411 19413 14297 1 17 . 1 1 95 95 VAL N N 95 115.582 115.582 115.929 -0.347 19413 14298 1 17 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.826 -0.104 19413 14299 1 17 . 1 1 95 95 VAL CA C 95 65.804 65.804 63.995 1.809 19413 14300 1 17 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.404 -0.664 19413 14301 1 17 . 1 1 95 95 VAL H H 95 8.467 8.467 7.489 0.978 19413 14302 1 17 . 1 1 96 96 GLN N N 96 113.295 113.295 118.901 -5.606 19413 14303 1 17 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.236 0.315 19413 14304 1 17 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.206 1.020 19413 14305 1 17 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.618 0.061 19413 14306 1 17 . 1 1 96 96 GLN H H 96 8.184 8.184 8.384 -0.200 19413 14307 1 17 . 1 1 97 97 LYS N N 97 118.621 118.621 119.909 -1.288 19413 14308 1 17 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.136 0.551 19413 14309 1 17 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.659 -1.500 19413 14310 1 17 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.053 -0.511 19413 14311 1 17 . 1 1 97 97 LYS H H 97 8.231 8.231 7.710 0.521 19413 14312 1 17 . 1 1 98 98 THR N N 98 110.486 110.486 109.245 1.241 19413 14313 1 17 . 1 1 98 98 THR HA H 98 4.285 4.285 4.331 -0.046 19413 14314 1 17 . 1 1 98 98 THR CA C 98 62.420 62.420 62.358 0.062 19413 14315 1 17 . 1 1 98 98 THR CB C 98 68.343 68.343 70.749 -2.406 19413 14316 1 17 . 1 1 98 98 THR H H 98 8.612 8.612 8.023 0.589 19413 14317 1 17 . 1 1 99 99 GLN N N 99 115.751 115.751 117.994 -2.243 19413 14318 1 17 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.049 0.136 19413 14319 1 17 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.115 -0.129 19413 14320 1 17 . 1 1 99 99 GLN CB C 99 25.623 25.623 25.897 -0.274 19413 14321 1 17 . 1 1 99 99 GLN H H 99 6.979 6.979 8.129 -1.150 19413 14322 1 17 . 1 1 100 100 THR N N 100 108.660 108.660 113.950 -5.290 19413 14323 1 17 . 1 1 100 100 THR HA H 100 4.350 4.350 4.131 0.218 19413 14324 1 17 . 1 1 100 100 THR CA C 100 61.035 61.035 64.395 -3.360 19413 14325 1 17 . 1 1 100 100 THR CB C 100 68.306 68.306 69.415 -1.109 19413 14326 1 17 . 1 1 100 100 THR H H 100 8.362 8.362 7.738 0.624 19413 14327 1 17 . 1 1 101 101 VAL N N 101 121.417 121.417 122.255 -0.838 19413 14328 1 17 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.870 0.323 19413 14329 1 17 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.655 -2.688 19413 14330 1 17 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.798 -0.449 19413 14331 1 17 . 1 1 101 101 VAL H H 101 7.376 7.376 7.881 -0.505 19413 14332 1 17 . 1 1 102 102 GLN N N 102 127.472 127.472 123.990 3.482 19413 14333 1 17 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.578 -0.014 19413 14334 1 17 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.704 -0.588 19413 14335 1 17 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.271 -0.503 19413 14336 1 17 . 1 1 102 102 GLN H H 102 9.583 9.583 8.767 0.816 19413 14337 1 17 . 1 1 103 103 SER N N 103 116.698 116.698 113.733 2.965 19413 14338 1 17 . 1 1 103 103 SER HA H 103 4.883 4.883 4.750 0.133 19413 14339 1 17 . 1 1 103 103 SER CA C 103 56.423 56.423 56.802 -0.379 19413 14340 1 17 . 1 1 103 103 SER CB C 103 66.834 66.834 65.932 0.902 19413 14341 1 17 . 1 1 103 103 SER H H 103 8.539 8.539 7.540 0.999 19413 14342 1 17 . 1 1 104 104 VAL N N 104 120.375 120.375 123.373 -2.998 19413 14343 1 17 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.651 0.089 19413 14344 1 17 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.525 -0.770 19413 14345 1 17 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.610 -0.681 19413 14346 1 17 . 1 1 104 104 VAL H H 104 8.929 8.929 8.995 -0.066 19413 14347 1 17 . 1 1 105 105 ALA N N 105 125.255 125.255 117.163 8.092 19413 14348 1 17 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.930 0.070 19413 14349 1 17 . 1 1 105 105 ALA CA C 105 54.906 54.906 53.429 1.477 19413 14350 1 17 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.645 0.408 19413 14351 1 17 . 1 1 105 105 ALA H H 105 8.099 8.099 8.142 -0.043 19413 14352 1 17 . 1 1 106 106 ASP N N 106 118.317 118.317 118.837 -0.520 19413 14353 1 17 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.725 -0.350 19413 14354 1 17 . 1 1 106 106 ASP CA C 106 56.664 56.664 55.606 1.058 19413 14355 1 17 . 1 1 106 106 ASP CB C 106 42.767 42.767 42.742 0.025 19413 14356 1 17 . 1 1 106 106 ASP H H 106 7.603 7.603 7.703 -0.100 19413 14357 1 17 . 1 1 107 107 ILE N N 107 120.210 120.210 121.531 -1.321 19413 14358 1 17 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.796 -0.465 19413 14359 1 17 . 1 1 107 107 ILE CA C 107 65.609 65.609 65.389 0.220 19413 14360 1 17 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.744 0.146 19413 14361 1 17 . 1 1 107 107 ILE H H 107 7.342 7.342 7.611 -0.269 19413 14362 1 17 . 1 1 108 108 ARG N N 108 119.234 119.234 117.690 1.544 19413 14363 1 17 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.410 -0.613 19413 14364 1 17 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.267 0.389 19413 14365 1 17 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.373 1.469 19413 14366 1 17 . 1 1 108 108 ARG H H 108 6.677 6.677 8.064 -1.387 19413 14367 1 17 . 1 1 109 109 LYS N N 109 117.662 117.662 120.735 -3.073 19413 14368 1 17 . 1 1 109 109 LYS HA H 109 3.846 3.846 3.992 -0.146 19413 14369 1 17 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.928 -0.709 19413 14370 1 17 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.224 -0.250 19413 14371 1 17 . 1 1 109 109 LYS H H 109 7.164 7.164 7.845 -0.681 19413 14372 1 17 . 1 1 110 110 VAL N N 110 118.257 118.257 119.198 -0.941 19413 14373 1 17 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.708 -0.067 19413 14374 1 17 . 1 1 110 110 VAL CA C 110 66.062 66.062 65.703 0.359 19413 14375 1 17 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.671 -0.447 19413 14376 1 17 . 1 1 110 110 VAL H H 110 7.269 7.269 7.648 -0.379 19413 14377 1 17 . 1 1 111 111 PHE N N 111 118.699 118.699 119.508 -0.809 19413 14378 1 17 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.184 -0.274 19413 14379 1 17 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.264 -0.784 19413 14380 1 17 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.258 0.165 19413 14381 1 17 . 1 1 111 111 PHE H H 111 7.411 7.411 7.776 -0.365 19413 14382 1 17 . 1 1 112 112 VAL N N 112 121.527 121.527 119.140 2.387 19413 14383 1 17 . 1 1 112 112 VAL HA H 112 4.611 4.611 4.015 0.596 19413 14384 1 17 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.686 -0.967 19413 14385 1 17 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.588 -0.217 19413 14386 1 17 . 1 1 112 112 VAL H H 112 8.424 8.424 7.628 0.796 19413 14387 1 17 . 1 1 113 113 ASP N N 113 124.032 124.032 122.433 1.599 19413 14388 1 17 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.429 0.018 19413 14389 1 17 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.058 -0.380 19413 14390 1 17 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.379 -1.099 19413 14391 1 17 . 1 1 113 113 ASP H H 113 9.048 9.048 8.655 0.393 19413 14392 1 17 . 1 1 114 114 ALA N N 114 121.399 121.399 119.058 2.341 19413 14393 1 17 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.290 0.177 19413 14394 1 17 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.338 -0.460 19413 14395 1 17 . 1 1 114 114 ALA CB C 114 18.613 18.613 18.917 -0.304 19413 14396 1 17 . 1 1 114 114 ALA H H 114 7.505 7.505 7.838 -0.333 19413 14397 1 17 . 1 1 115 115 GLY N N 115 105.755 105.755 106.638 -0.883 19413 14398 1 17 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.725 0.378 19413 14399 1 17 . 1 1 115 115 GLY H H 115 7.895 7.895 7.703 0.192 19413 14400 1 17 . 1 1 116 116 VAL N N 116 124.542 124.542 119.447 5.095 19413 14401 1 17 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.298 -0.278 19413 14402 1 17 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.203 1.398 19413 14403 1 17 . 1 1 116 116 VAL CB C 116 31.739 31.739 35.197 -3.458 19413 14404 1 17 . 1 1 116 116 VAL H H 116 8.095 8.095 7.446 0.649 19413 14405 1 17 . 1 1 117 117 LYS N N 117 128.363 128.363 126.359 2.004 19413 14406 1 17 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.331 -0.148 19413 14407 1 17 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.106 -0.021 19413 14408 1 17 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.773 -0.961 19413 14409 1 17 . 1 1 117 117 LYS H H 117 9.102 9.102 8.846 0.256 19413 14410 1 17 . 1 1 118 118 GLY N N 118 116.049 116.049 114.803 1.246 19413 14411 1 17 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.247 0.421 19413 14412 1 17 . 1 1 118 118 GLY H H 118 9.300 9.300 9.132 0.168 19413 14413 1 17 . 1 1 119 119 GLU N N 119 118.512 118.512 120.198 -1.686 19413 14414 1 17 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.128 0.098 19413 14415 1 17 . 1 1 119 119 GLU CA C 119 59.523 59.523 59.319 0.204 19413 14416 1 17 . 1 1 119 119 GLU CB C 119 28.813 28.813 28.908 -0.095 19413 14417 1 17 . 1 1 119 119 GLU H H 119 9.501 9.501 8.723 0.778 19413 14418 1 17 . 1 1 120 120 ASP N N 120 121.262 121.262 120.093 1.169 19413 14419 1 17 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.445 0.134 19413 14420 1 17 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.501 0.058 19413 14421 1 17 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.121 -1.489 19413 14422 1 17 . 1 1 120 120 ASP H H 120 7.088 7.088 7.483 -0.395 19413 14423 1 17 . 1 1 121 121 TYR N N 121 123.619 123.619 121.270 2.349 19413 14424 1 17 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.127 -0.405 19413 14425 1 17 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.015 0.136 19413 14426 1 17 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.558 -0.556 19413 14427 1 17 . 1 1 121 121 TYR H H 121 7.986 7.986 8.074 -0.088 19413 14428 1 17 . 1 1 122 122 ASP N N 122 119.702 119.702 118.639 1.063 19413 14429 1 17 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.565 -0.311 19413 14430 1 17 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.356 0.766 19413 14431 1 17 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.885 -1.274 19413 14432 1 17 . 1 1 122 122 ASP H H 122 8.812 8.812 8.381 0.431 19413 14433 1 17 . 1 1 123 123 ALA N N 123 121.138 121.138 121.939 -0.801 19413 14434 1 17 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.303 -0.077 19413 14435 1 17 . 1 1 123 123 ALA CA C 123 54.230 54.230 53.728 0.502 19413 14436 1 17 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.207 -1.081 19413 14437 1 17 . 1 1 123 123 ALA H H 123 7.696 7.696 7.523 0.173 19413 14438 1 17 . 1 1 124 124 ALA N N 124 120.299 120.299 122.639 -2.340 19413 14439 1 17 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.082 0.024 19413 14440 1 17 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.915 -0.589 19413 14441 1 17 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.160 0.405 19413 14442 1 17 . 1 1 124 124 ALA H H 124 7.935 7.935 8.403 -0.468 19413 14443 1 17 . 1 1 125 125 TRP N N 125 121.357 121.357 122.361 -1.004 19413 14444 1 17 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.241 -0.765 19413 14445 1 17 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.486 0.977 19413 14446 1 17 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.335 -0.958 19413 14447 1 17 . 1 1 125 125 TRP H H 125 8.948 8.948 8.001 0.947 19413 14448 1 17 . 1 1 126 126 ASN N N 126 110.817 110.817 113.707 -2.890 19413 14449 1 17 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.801 0.042 19413 14450 1 17 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.907 -0.386 19413 14451 1 17 . 1 1 126 126 ASN CB C 126 40.070 40.070 38.732 1.338 19413 14452 1 17 . 1 1 126 126 ASN H H 126 7.024 7.024 7.849 -0.825 19413 14453 1 17 . 1 1 127 127 SER N N 127 116.650 116.650 115.408 1.242 19413 14454 1 17 . 1 1 127 127 SER HA H 127 4.472 4.472 4.704 -0.232 19413 14455 1 17 . 1 1 127 127 SER CA C 127 58.535 58.535 56.578 1.957 19413 14456 1 17 . 1 1 127 127 SER CB C 127 65.513 65.513 64.618 0.895 19413 14457 1 17 . 1 1 127 127 SER H H 127 7.831 7.831 7.813 0.018 19413 14458 1 17 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.322 -0.044 19413 14459 1 17 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.527 0.528 19413 14460 1 17 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.261 -0.893 19413 14461 1 17 . 1 1 129 129 VAL N N 129 120.058 120.058 118.656 1.402 19413 14462 1 17 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.596 0.118 19413 14463 1 17 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.482 -0.810 19413 14464 1 17 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.580 0.198 19413 14465 1 17 . 1 1 129 129 VAL H H 129 8.340 8.340 7.619 0.721 19413 14466 1 17 . 1 1 130 130 VAL N N 130 122.552 122.552 118.206 4.346 19413 14467 1 17 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.523 -0.012 19413 14468 1 17 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.075 0.759 19413 14469 1 17 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.222 0.002 19413 14470 1 17 . 1 1 130 130 VAL H H 130 7.163 7.163 7.459 -0.296 19413 14471 1 17 . 1 1 131 131 LYS N N 131 122.079 122.079 120.981 1.098 19413 14472 1 17 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.789 -0.033 19413 14473 1 17 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.405 0.329 19413 14474 1 17 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.410 0.108 19413 14475 1 17 . 1 1 131 131 LYS H H 131 7.852 7.852 7.245 0.607 19413 14476 1 17 . 1 1 132 132 SER N N 132 115.836 115.836 114.922 0.914 19413 14477 1 17 . 1 1 132 132 SER HA H 132 4.155 4.155 4.157 -0.002 19413 14478 1 17 . 1 1 132 132 SER CA C 132 61.022 61.022 61.466 -0.444 19413 14479 1 17 . 1 1 132 132 SER CB C 132 62.309 62.309 62.744 -0.435 19413 14480 1 17 . 1 1 132 132 SER H H 132 8.258 8.258 7.883 0.375 19413 14481 1 17 . 1 1 133 133 LEU N N 133 124.754 124.754 121.773 2.981 19413 14482 1 17 . 1 1 133 133 LEU HA H 133 4.197 4.197 4.102 0.095 19413 14483 1 17 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.197 0.367 19413 14484 1 17 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.071 2.091 19413 14485 1 17 . 1 1 133 133 LEU H H 133 8.140 8.140 7.514 0.626 19413 14486 1 17 . 1 1 134 134 VAL N N 134 123.461 123.461 120.772 2.689 19413 14487 1 17 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.756 -0.475 19413 14488 1 17 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.395 2.462 19413 14489 1 17 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.382 -0.526 19413 14490 1 17 . 1 1 134 134 VAL H H 134 8.718 8.718 8.266 0.452 19413 14491 1 17 . 1 1 135 135 ALA N N 135 121.739 121.739 120.962 0.777 19413 14492 1 17 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.827 0.337 19413 14493 1 17 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.538 -0.609 19413 14494 1 17 . 1 1 135 135 ALA CB C 135 17.426 17.426 17.959 -0.533 19413 14495 1 17 . 1 1 135 135 ALA H H 135 7.513 7.513 8.276 -0.763 19413 14496 1 17 . 1 1 136 136 GLN N N 136 119.033 119.033 116.551 2.482 19413 14497 1 17 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.937 0.139 19413 14498 1 17 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.463 0.646 19413 14499 1 17 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.248 0.837 19413 14500 1 17 . 1 1 136 136 GLN H H 136 8.473 8.473 7.953 0.520 19413 14501 1 17 . 1 1 137 137 GLN N N 137 119.734 119.734 118.390 1.344 19413 14502 1 17 . 1 1 137 137 GLN HA H 137 3.512 3.512 3.940 -0.428 19413 14503 1 17 . 1 1 137 137 GLN CA C 137 59.882 59.882 57.591 2.291 19413 14504 1 17 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.823 2.020 19413 14505 1 17 . 1 1 137 137 GLN H H 137 7.995 7.995 7.456 0.539 19413 14506 1 17 . 1 1 138 138 GLU N N 138 121.309 121.309 121.404 -0.095 19413 14507 1 17 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.105 -0.170 19413 14508 1 17 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.405 -0.428 19413 14509 1 17 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.235 -0.270 19413 14510 1 17 . 1 1 138 138 GLU H H 138 8.291 8.291 8.744 -0.453 19413 14511 1 17 . 1 1 139 139 LYS N N 139 122.121 122.121 120.132 1.989 19413 14512 1 17 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.003 0.114 19413 14513 1 17 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.257 -0.333 19413 14514 1 17 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.343 0.249 19413 14515 1 17 . 1 1 139 139 LYS H H 139 8.603 8.603 8.259 0.344 19413 14516 1 17 . 1 1 140 140 ALA N N 140 120.286 120.286 120.144 0.142 19413 14517 1 17 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.310 0.100 19413 14518 1 17 . 1 1 140 140 ALA CA C 140 55.063 55.063 54.479 0.584 19413 14519 1 17 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.999 -0.553 19413 14520 1 17 . 1 1 140 140 ALA H H 140 8.140 8.140 7.405 0.735 19413 14521 1 17 . 1 1 141 141 ALA N N 141 116.994 116.994 122.450 -5.456 19413 14522 1 17 . 1 1 141 141 ALA HA H 141 3.648 3.648 3.837 -0.189 19413 14523 1 17 . 1 1 141 141 ALA CA C 141 54.515 54.515 54.863 -0.348 19413 14524 1 17 . 1 1 141 141 ALA CB C 141 18.001 18.001 18.686 -0.685 19413 14525 1 17 . 1 1 141 141 ALA H H 141 7.251 7.251 8.341 -1.090 19413 14526 1 17 . 1 1 142 142 ALA N N 142 121.272 121.272 118.698 2.574 19413 14527 1 17 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.270 -0.086 19413 14528 1 17 . 1 1 142 142 ALA CA C 142 54.657 54.657 53.252 1.405 19413 14529 1 17 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.423 -0.206 19413 14530 1 17 . 1 1 142 142 ALA H H 142 7.940 7.940 8.318 -0.378 19413 14531 1 17 . 1 1 143 143 ASP N N 143 121.599 121.599 119.554 2.045 19413 14532 1 17 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.613 -0.277 19413 14533 1 17 . 1 1 143 143 ASP CA C 143 56.975 56.975 53.835 3.140 19413 14534 1 17 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.353 -1.318 19413 14535 1 17 . 1 1 143 143 ASP H H 143 9.272 9.272 7.690 1.582 19413 14536 1 17 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.934 0.177 19413 14537 1 17 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.357 -0.810 19413 14538 1 17 . 1 1 144 144 LEU CB C 144 41.055 41.055 38.809 2.246 19413 14539 1 17 . 1 1 145 145 GLN N N 145 116.940 116.940 115.560 1.380 19413 14540 1 17 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.377 -0.625 19413 14541 1 17 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.471 -0.647 19413 14542 1 17 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.652 -2.520 19413 14543 1 17 . 1 1 145 145 GLN H H 145 7.750 7.750 8.260 -0.510 19413 14544 1 17 . 1 1 146 146 LEU N N 146 119.399 119.399 121.765 -2.366 19413 14545 1 17 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.277 -0.391 19413 14546 1 17 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.171 1.142 19413 14547 1 17 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.365 0.777 19413 14548 1 17 . 1 1 146 146 LEU H H 146 7.516 7.516 7.905 -0.389 19413 14549 1 17 . 1 1 147 147 GLN N N 147 123.118 123.118 116.622 6.496 19413 14550 1 17 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.911 0.236 19413 14551 1 17 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.235 -1.368 19413 14552 1 17 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.329 3.196 19413 14553 1 17 . 1 1 147 147 GLN H H 147 8.895 8.895 8.362 0.533 19413 14554 1 17 . 1 1 148 148 GLY N N 148 106.555 106.555 106.571 -0.016 19413 14555 1 17 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.934 0.170 19413 14556 1 17 . 1 1 148 148 GLY H H 148 7.275 7.275 7.776 -0.501 19413 14557 1 17 . 1 1 149 149 VAL N N 149 110.030 110.030 120.148 -10.118 19413 14558 1 17 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.647 -0.176 19413 14559 1 17 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.682 -1.045 19413 14560 1 17 . 1 1 149 149 VAL CB C 149 34.682 34.682 33.867 0.815 19413 14561 1 17 . 1 1 149 149 VAL H H 149 8.267 8.267 8.097 0.170 19413 14562 1 17 . 1 1 150 150 PRO HA H 150 4.810 4.810 5.012 -0.202 19413 14563 1 17 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.461 -0.317 19413 14564 1 17 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.337 2.589 19413 14565 1 17 . 1 1 151 151 ALA N N 151 123.567 123.567 125.980 -2.413 19413 14566 1 17 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.804 0.081 19413 14567 1 17 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.173 0.452 19413 14568 1 17 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.730 2.117 19413 14569 1 17 . 1 1 151 151 ALA H H 151 8.249 8.249 8.987 -0.738 19413 14570 1 17 . 1 1 152 152 MET N N 152 121.866 121.866 122.176 -0.310 19413 14571 1 17 . 1 1 152 152 MET HA H 152 5.724 5.724 5.087 0.637 19413 14572 1 17 . 1 1 152 152 MET CA C 152 55.487 55.487 54.962 0.526 19413 14573 1 17 . 1 1 152 152 MET CB C 152 36.830 36.830 35.256 1.574 19413 14574 1 17 . 1 1 152 152 MET H H 152 8.610 8.610 8.601 0.009 19413 14575 1 17 . 1 1 153 153 TYR N N 153 124.782 124.782 123.472 1.310 19413 14576 1 17 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.132 0.622 19413 14577 1 17 . 1 1 153 153 TYR CA C 153 56.208 56.208 59.327 -3.119 19413 14578 1 17 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.719 3.271 19413 14579 1 17 . 1 1 153 153 TYR H H 153 9.685 9.685 8.727 0.958 19413 14580 1 17 . 1 1 154 154 VAL N N 154 121.914 121.914 118.121 3.793 19413 14581 1 17 . 1 1 154 154 VAL CB C 154 34.660 34.660 33.436 1.224 19413 14582 1 17 . 1 1 154 154 VAL H H 154 9.441 9.441 8.723 0.718 19413 14583 1 17 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.584 0.155 19413 14584 1 17 . 1 1 155 155 ASN CA C 155 54.473 54.473 52.870 1.603 19413 14585 1 17 . 1 1 155 155 ASN CB C 155 37.154 37.154 37.063 0.091 19413 14586 1 17 . 1 1 156 156 GLY N N 156 106.059 106.059 109.365 -3.306 19413 14587 1 17 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.735 -0.549 19413 14588 1 17 . 1 1 156 156 GLY H H 156 9.354 9.354 8.433 0.921 19413 14589 1 17 . 1 1 157 157 LYS N N 157 114.357 114.357 123.522 -9.165 19413 14590 1 17 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.131 0.421 19413 14591 1 17 . 1 1 157 157 LYS CA C 157 56.755 56.755 57.679 -0.924 19413 14592 1 17 . 1 1 157 157 LYS CB C 157 36.788 36.788 32.247 4.541 19413 14593 1 17 . 1 1 157 157 LYS H H 157 7.877 7.877 7.984 -0.107 19413 14594 1 17 . 1 1 158 158 TYR N N 158 117.900 117.900 117.170 0.730 19413 14595 1 17 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.630 0.234 19413 14596 1 17 . 1 1 158 158 TYR CA C 158 54.856 54.856 54.588 0.268 19413 14597 1 17 . 1 1 158 158 TYR CB C 158 42.879 42.879 40.993 1.885 19413 14598 1 17 . 1 1 158 158 TYR H H 158 7.876 7.876 7.346 0.530 19413 14599 1 17 . 1 1 159 159 GLN N N 159 125.094 125.094 122.074 3.020 19413 14600 1 17 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.911 -0.158 19413 14601 1 17 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.900 -0.494 19413 14602 1 17 . 1 1 159 159 GLN CB C 159 31.849 31.849 32.782 -0.933 19413 14603 1 17 . 1 1 159 159 GLN H H 159 9.701 9.701 9.092 0.609 19413 14604 1 17 . 1 1 160 160 LEU N N 160 131.941 131.941 126.629 5.312 19413 14605 1 17 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.254 -0.243 19413 14606 1 17 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.472 -1.477 19413 14607 1 17 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.737 -1.662 19413 14608 1 17 . 1 1 160 160 LEU H H 160 8.551 8.551 8.465 0.086 19413 14609 1 17 . 1 1 161 161 ASN N N 161 118.639 118.639 121.788 -3.149 19413 14610 1 17 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.199 0.297 19413 14611 1 17 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.054 -0.285 19413 14612 1 17 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.424 -0.513 19413 14613 1 17 . 1 1 161 161 ASN H H 161 8.285 8.285 8.415 -0.130 19413 14614 1 17 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.860 -0.071 19413 14615 1 17 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.105 -0.331 19413 14616 1 17 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.574 -0.396 19413 14617 1 17 . 1 1 163 163 GLN N N 163 116.006 116.006 118.344 -2.338 19413 14618 1 17 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.252 -0.026 19413 14619 1 17 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.470 0.496 19413 14620 1 17 . 1 1 163 163 GLN CB C 163 27.976 27.976 27.449 0.527 19413 14621 1 17 . 1 1 163 163 GLN H H 163 8.086 8.086 8.675 -0.589 19413 14622 1 17 . 1 1 164 164 GLY N N 164 107.393 107.393 106.857 0.536 19413 14623 1 17 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.423 0.180 19413 14624 1 17 . 1 1 164 164 GLY H H 164 8.030 8.030 7.890 0.140 19413 14625 1 17 . 1 1 165 165 MET N N 165 119.802 119.802 118.753 1.049 19413 14626 1 17 . 1 1 165 165 MET HA H 165 4.636 4.636 4.575 0.061 19413 14627 1 17 . 1 1 165 165 MET CA C 165 54.567 54.567 55.752 -1.185 19413 14628 1 17 . 1 1 165 165 MET CB C 165 34.464 34.464 34.284 0.180 19413 14629 1 17 . 1 1 165 165 MET H H 165 7.451 7.451 7.801 -0.350 19413 14630 1 17 . 1 1 166 166 ASP N N 166 121.681 121.681 121.178 0.503 19413 14631 1 17 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.783 -0.150 19413 14632 1 17 . 1 1 166 166 ASP CA C 166 54.181 54.181 53.557 0.624 19413 14633 1 17 . 1 1 166 166 ASP CB C 166 40.653 40.653 39.526 1.127 19413 14634 1 17 . 1 1 166 166 ASP H H 166 8.694 8.694 8.897 -0.203 19413 14635 1 17 . 1 1 167 167 THR N N 167 112.609 112.609 113.008 -0.399 19413 14636 1 17 . 1 1 167 167 THR HA H 167 4.224 4.224 4.333 -0.109 19413 14637 1 17 . 1 1 167 167 THR CA C 167 60.340 60.340 63.886 -3.546 19413 14638 1 17 . 1 1 167 167 THR CB C 167 68.416 68.416 68.786 -0.370 19413 14639 1 17 . 1 1 167 167 THR H H 167 7.860 7.860 8.310 -0.450 19413 14640 1 17 . 1 1 168 168 SER N N 168 118.936 118.936 115.649 3.287 19413 14641 1 17 . 1 1 168 168 SER HA H 168 4.158 4.158 4.388 -0.230 19413 14642 1 17 . 1 1 168 168 SER CA C 168 60.874 60.874 59.971 0.903 19413 14643 1 17 . 1 1 168 168 SER CB C 168 63.123 63.123 63.287 -0.164 19413 14644 1 17 . 1 1 168 168 SER H H 168 8.739 8.739 8.329 0.410 19413 14645 1 17 . 1 1 169 169 ASN N N 169 117.875 117.875 116.939 0.936 19413 14646 1 17 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.926 -0.153 19413 14647 1 17 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.307 -0.959 19413 14648 1 17 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.641 0.051 19413 14649 1 17 . 1 1 169 169 ASN H H 169 7.341 7.341 7.736 -0.395 19413 14650 1 17 . 1 1 170 170 MET N N 170 123.431 123.431 116.744 6.687 19413 14651 1 17 . 1 1 170 170 MET HA H 170 4.600 4.600 3.986 0.614 19413 14652 1 17 . 1 1 170 170 MET CA C 170 57.233 57.233 58.637 -1.404 19413 14653 1 17 . 1 1 170 170 MET CB C 170 32.751 32.751 30.259 2.491 19413 14654 1 17 . 1 1 170 170 MET H H 170 9.186 9.186 8.361 0.825 19413 14655 1 17 . 1 1 171 171 ASP N N 171 120.825 120.825 121.188 -0.363 19413 14656 1 17 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.500 -0.006 19413 14657 1 17 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.043 0.463 19413 14658 1 17 . 1 1 171 171 ASP CB C 171 39.788 39.788 40.681 -0.893 19413 14659 1 17 . 1 1 171 171 ASP H H 171 8.232 8.232 8.417 -0.185 19413 14660 1 17 . 1 1 172 172 VAL N N 172 122.666 122.666 118.494 4.172 19413 14661 1 17 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.842 -0.064 19413 14662 1 17 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.653 -0.114 19413 14663 1 17 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.595 0.260 19413 14664 1 17 . 1 1 172 172 VAL H H 172 7.872 7.872 7.888 -0.016 19413 14665 1 17 . 1 1 173 173 PHE N N 173 121.872 121.872 122.098 -0.226 19413 14666 1 17 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.154 0.226 19413 14667 1 17 . 1 1 173 173 PHE CA C 173 61.464 61.464 62.087 -0.623 19413 14668 1 17 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.990 0.284 19413 14669 1 17 . 1 1 173 173 PHE H H 173 8.250 8.250 7.707 0.543 19413 14670 1 17 . 1 1 174 174 VAL N N 174 117.535 117.535 118.577 -1.042 19413 14671 1 17 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.307 -0.264 19413 14672 1 17 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.391 0.512 19413 14673 1 17 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.902 0.469 19413 14674 1 17 . 1 1 174 174 VAL H H 174 8.138 8.138 7.902 0.236 19413 14675 1 17 . 1 1 175 175 ALA N N 175 121.129 121.129 120.958 0.171 19413 14676 1 17 . 1 1 175 175 ALA HA H 175 4.126 4.126 4.048 0.078 19413 14677 1 17 . 1 1 175 175 ALA CA C 175 54.768 54.768 54.582 0.186 19413 14678 1 17 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.537 -0.522 19413 14679 1 17 . 1 1 175 175 ALA H H 175 7.396 7.396 7.565 -0.169 19413 14680 1 17 . 1 1 176 176 GLN N N 176 120.043 120.043 116.182 3.861 19413 14681 1 17 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.170 -0.091 19413 14682 1 17 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.530 1.432 19413 14683 1 17 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.552 -1.503 19413 14684 1 17 . 1 1 176 176 GLN H H 176 8.721 8.721 7.556 1.165 19413 14685 1 17 . 1 1 177 177 TYR N N 177 127.981 127.981 122.947 5.034 19413 14686 1 17 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.929 -0.338 19413 14687 1 17 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.466 0.096 19413 14688 1 17 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.257 -0.279 19413 14689 1 17 . 1 1 177 177 TYR H H 177 9.002 9.002 8.204 0.798 19413 14690 1 17 . 1 1 178 178 ALA N N 178 119.796 119.796 117.996 1.800 19413 14691 1 17 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.954 0.076 19413 14692 1 17 . 1 1 178 178 ALA CA C 178 55.405 55.405 54.954 0.451 19413 14693 1 17 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.097 -0.128 19413 14694 1 17 . 1 1 178 178 ALA H H 178 8.392 8.392 8.180 0.212 19413 14695 1 17 . 1 1 179 179 ASP N N 179 117.823 117.823 118.488 -0.665 19413 14696 1 17 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.423 -0.004 19413 14697 1 17 . 1 1 179 179 ASP CA C 179 57.296 57.296 56.985 0.311 19413 14698 1 17 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.639 1.164 19413 14699 1 17 . 1 1 179 179 ASP H H 179 8.379 8.379 7.362 1.017 19413 14700 1 17 . 1 1 180 180 THR N N 180 117.846 117.846 116.050 1.796 19413 14701 1 17 . 1 1 180 180 THR HA H 180 4.179 4.179 4.141 0.038 19413 14702 1 17 . 1 1 180 180 THR CA C 180 67.378 67.378 65.511 1.867 19413 14703 1 17 . 1 1 180 180 THR CB C 180 67.733 67.733 68.403 -0.669 19413 14704 1 17 . 1 1 180 180 THR H H 180 8.255 8.255 7.460 0.795 19413 14705 1 17 . 1 1 181 181 VAL N N 181 120.101 120.101 121.287 -1.186 19413 14706 1 17 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.449 -0.268 19413 14707 1 17 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.886 0.894 19413 14708 1 17 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.188 -0.257 19413 14709 1 17 . 1 1 181 181 VAL H H 181 7.772 7.772 7.538 0.234 19413 14710 1 17 . 1 1 182 182 LYS N N 182 119.144 119.144 118.585 0.559 19413 14711 1 17 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.917 -0.287 19413 14712 1 17 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.506 0.855 19413 14713 1 17 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.964 0.316 19413 14714 1 17 . 1 1 182 182 LYS H H 182 7.758 7.758 7.730 0.028 19413 14715 1 17 . 1 1 183 183 GLN N N 183 116.269 116.269 118.819 -2.550 19413 14716 1 17 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.990 -0.005 19413 14717 1 17 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.514 0.769 19413 14718 1 17 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.615 0.708 19413 14719 1 17 . 1 1 183 183 GLN H H 183 8.114 8.114 7.638 0.476 19413 14720 1 17 . 1 1 184 184 LEU N N 184 119.688 119.688 117.161 2.527 19413 14721 1 17 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.971 -0.336 19413 14722 1 17 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.193 0.848 19413 14723 1 17 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.923 0.137 19413 14724 1 17 . 1 1 184 184 LEU H H 184 8.000 8.000 7.438 0.562 19413 14725 1 17 . 1 1 185 185 VAL N N 185 121.017 121.017 116.019 4.998 19413 14726 1 17 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.798 -0.286 19413 14727 1 17 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.369 0.373 19413 14728 1 17 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.942 -0.378 19413 14729 1 17 . 1 1 185 185 VAL H H 185 8.494 8.494 7.442 1.052 19413 14730 1 17 . 1 1 186 186 GLU N N 186 117.535 117.535 116.579 0.956 19413 14731 1 17 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.337 -0.217 19413 14732 1 17 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.843 0.316 19413 14733 1 17 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.018 -0.229 19413 14734 1 17 . 1 1 186 186 GLU H H 186 7.541 7.541 7.628 -0.087 19413 14735 1 17 . 1 1 187 187 LYS N N 187 121.929 121.929 120.717 1.212 19413 14736 1 17 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.484 -0.358 19413 14737 1 17 . 1 1 187 187 LYS CA C 187 57.748 57.748 54.813 2.935 19413 14738 1 17 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.918 0.800 19413 14739 1 17 . 1 1 187 187 LYS H H 187 7.358 7.358 7.357 0.001 19413 14740 1 18 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.805 -0.034 19413 14741 1 18 . 1 1 0 0 ASN CA C 0 53.288 53.288 52.550 0.738 19413 14742 1 18 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.239 -0.318 19413 14743 1 18 . 1 1 1 1 ALA N N 1 125.275 125.275 120.961 4.314 19413 14744 1 18 . 1 1 1 1 ALA HA H 1 4.319 4.319 3.890 0.429 19413 14745 1 18 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.705 -1.671 19413 14746 1 18 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.849 1.275 19413 14747 1 18 . 1 1 1 1 ALA H H 1 8.441 8.441 8.854 -0.413 19413 14748 1 18 . 1 1 2 2 GLN N N 2 121.120 121.120 117.114 4.006 19413 14749 1 18 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.564 -0.085 19413 14750 1 18 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.358 0.056 19413 14751 1 18 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.248 -1.754 19413 14752 1 18 . 1 1 2 2 GLN H H 2 8.334 8.334 7.977 0.357 19413 14753 1 18 . 1 1 3 3 ILE N N 3 120.380 120.380 120.161 0.219 19413 14754 1 18 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.652 -0.241 19413 14755 1 18 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.918 0.875 19413 14756 1 18 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.218 -0.527 19413 14757 1 18 . 1 1 3 3 ILE H H 3 8.197 8.197 8.299 -0.102 19413 14758 1 18 . 1 1 4 4 THR N N 4 120.223 120.223 118.709 1.514 19413 14759 1 18 . 1 1 4 4 THR HA H 4 4.566 4.566 4.706 -0.140 19413 14760 1 18 . 1 1 4 4 THR CA C 4 61.500 61.500 60.751 0.749 19413 14761 1 18 . 1 1 4 4 THR CB C 4 71.727 71.727 70.895 0.832 19413 14762 1 18 . 1 1 4 4 THR H H 4 9.119 9.119 8.295 0.824 19413 14763 1 18 . 1 1 5 5 ASP N N 5 128.193 128.193 123.348 4.845 19413 14764 1 18 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.343 -0.197 19413 14765 1 18 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.378 0.971 19413 14766 1 18 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.386 0.615 19413 14767 1 18 . 1 1 5 5 ASP H H 5 8.510 8.510 8.445 0.065 19413 14768 1 18 . 1 1 6 6 GLY N N 6 117.400 117.400 111.948 5.452 19413 14769 1 18 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.921 -0.939 19413 14770 1 18 . 1 1 6 6 GLY H H 6 8.608 8.608 8.740 -0.132 19413 14771 1 18 . 1 1 7 7 LYS N N 7 122.122 122.122 118.764 3.358 19413 14772 1 18 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.536 0.066 19413 14773 1 18 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.919 -0.255 19413 14774 1 18 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.672 -1.909 19413 14775 1 18 . 1 1 7 7 LYS H H 7 8.131 8.131 7.423 0.708 19413 14776 1 18 . 1 1 8 8 GLN N N 8 115.920 115.920 116.237 -0.317 19413 14777 1 18 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.388 -0.259 19413 14778 1 18 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.133 1.934 19413 14779 1 18 . 1 1 8 8 GLN CB C 8 27.086 27.086 31.645 -4.559 19413 14780 1 18 . 1 1 8 8 GLN H H 8 8.548 8.548 7.834 0.714 19413 14781 1 18 . 1 1 9 9 TYR N N 9 112.118 112.118 115.045 -2.927 19413 14782 1 18 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.282 -0.164 19413 14783 1 18 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.785 -1.046 19413 14784 1 18 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.461 -0.284 19413 14785 1 18 . 1 1 9 9 TYR H H 9 7.572 7.572 7.604 -0.032 19413 14786 1 18 . 1 1 10 10 ILE N N 10 119.488 119.488 118.250 1.238 19413 14787 1 18 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.429 0.152 19413 14788 1 18 . 1 1 10 10 ILE CA C 10 58.998 58.998 59.647 -0.649 19413 14789 1 18 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.740 0.263 19413 14790 1 18 . 1 1 10 10 ILE H H 10 9.365 9.365 9.144 0.221 19413 14791 1 18 . 1 1 11 11 THR N N 11 126.054 126.054 116.787 9.267 19413 14792 1 18 . 1 1 11 11 THR HA H 11 4.837 4.837 4.957 -0.120 19413 14793 1 18 . 1 1 11 11 THR CA C 11 63.376 63.376 61.610 1.766 19413 14794 1 18 . 1 1 11 11 THR CB C 11 68.487 68.487 69.735 -1.248 19413 14795 1 18 . 1 1 11 11 THR H H 11 9.153 9.153 8.315 0.838 19413 14796 1 18 . 1 1 12 12 LEU N N 12 129.370 129.370 121.351 8.019 19413 14797 1 18 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.568 -0.319 19413 14798 1 18 . 1 1 12 12 LEU CA C 12 55.286 55.286 53.959 1.327 19413 14799 1 18 . 1 1 12 12 LEU CB C 12 41.506 41.506 43.639 -2.132 19413 14800 1 18 . 1 1 12 12 LEU H H 12 8.636 8.636 8.147 0.489 19413 14801 1 18 . 1 1 13 13 ASP N N 13 122.179 122.179 120.906 1.273 19413 14802 1 18 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.527 -0.089 19413 14803 1 18 . 1 1 13 13 ASP CA C 13 55.724 55.724 56.099 -0.376 19413 14804 1 18 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.319 -0.434 19413 14805 1 18 . 1 1 13 13 ASP H H 13 8.494 8.494 8.326 0.168 19413 14806 1 18 . 1 1 14 14 LYS N N 14 119.361 119.361 119.803 -0.442 19413 14807 1 18 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.677 0.085 19413 14808 1 18 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.907 -1.420 19413 14809 1 18 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.390 -0.487 19413 14810 1 18 . 1 1 14 14 LYS H H 14 7.714 7.714 8.101 -0.387 19413 14811 1 18 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.750 -0.147 19413 14812 1 18 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.415 -0.154 19413 14813 1 18 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.393 2.304 19413 14814 1 18 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.229 0.133 19413 14815 1 18 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.301 -1.725 19413 14816 1 18 . 1 1 16 16 ILE CB C 16 38.242 38.242 41.046 -2.804 19413 14817 1 18 . 1 1 17 17 ALA N N 17 130.287 130.287 128.860 1.427 19413 14818 1 18 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.064 0.284 19413 14819 1 18 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.976 -0.325 19413 14820 1 18 . 1 1 17 17 ALA CB C 17 19.344 19.344 17.961 1.383 19413 14821 1 18 . 1 1 17 17 ALA H H 17 8.396 8.396 8.325 0.071 19413 14822 1 18 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.748 -0.530 19413 14823 1 18 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.394 0.007 19413 14824 1 18 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.330 1.062 19413 14825 1 18 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.296 -0.618 19413 14826 1 18 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.523 0.515 19413 14827 1 18 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.550 -1.584 19413 14828 1 18 . 1 1 23 23 LEU CB C 23 46.113 46.113 45.736 0.377 19413 14829 1 18 . 1 1 24 24 GLU N N 24 127.720 127.720 118.862 8.858 19413 14830 1 18 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.389 0.216 19413 14831 1 18 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.364 -1.926 19413 14832 1 18 . 1 1 24 24 GLU CB C 24 33.704 33.704 32.173 1.530 19413 14833 1 18 . 1 1 24 24 GLU H H 24 8.973 8.973 8.263 0.710 19413 14834 1 18 . 1 1 25 25 PHE N N 25 121.108 121.108 121.900 -0.792 19413 14835 1 18 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.149 0.917 19413 14836 1 18 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.284 -1.339 19413 14837 1 18 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.124 0.882 19413 14838 1 18 . 1 1 25 25 PHE H H 25 9.266 9.266 8.706 0.560 19413 14839 1 18 . 1 1 26 26 PHE N N 26 120.125 120.125 119.704 0.421 19413 14840 1 18 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.948 -0.167 19413 14841 1 18 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.721 -1.883 19413 14842 1 18 . 1 1 26 26 PHE CB C 26 43.604 43.604 43.033 0.571 19413 14843 1 18 . 1 1 26 26 PHE H H 26 8.957 8.957 8.943 0.014 19413 14844 1 18 . 1 1 27 27 SER N N 27 109.643 109.643 114.035 -4.392 19413 14845 1 18 . 1 1 27 27 SER HA H 27 3.584 3.584 4.836 -1.252 19413 14846 1 18 . 1 1 27 27 SER CA C 27 54.556 54.556 56.551 -1.995 19413 14847 1 18 . 1 1 27 27 SER CB C 27 64.711 64.711 65.527 -0.816 19413 14848 1 18 . 1 1 27 27 SER H H 27 6.543 6.543 8.311 -1.768 19413 14849 1 18 . 1 1 28 28 PHE N N 28 132.096 132.096 118.935 13.161 19413 14850 1 18 . 1 1 28 28 PHE HA H 28 4.367 4.367 4.334 0.033 19413 14851 1 18 . 1 1 28 28 PHE CA C 28 62.530 62.530 58.804 3.726 19413 14852 1 18 . 1 1 28 28 PHE CB C 28 38.643 38.643 39.537 -0.894 19413 14853 1 18 . 1 1 28 28 PHE H H 28 11.199 11.199 9.321 1.878 19413 14854 1 18 . 1 1 29 29 TYR N N 29 115.582 115.582 115.064 0.518 19413 14855 1 18 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.746 -0.377 19413 14856 1 18 . 1 1 29 29 TYR CA C 29 59.845 59.845 57.545 2.300 19413 14857 1 18 . 1 1 29 29 TYR CB C 29 39.781 39.781 39.204 0.577 19413 14858 1 18 . 1 1 29 29 TYR H H 29 8.619 8.619 8.282 0.337 19413 14859 1 18 . 1 1 30 30 CYS N N 30 121.025 121.025 118.473 2.552 19413 14860 1 18 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.939 0.067 19413 14861 1 18 . 1 1 30 30 CYS CA C 30 52.459 52.459 54.554 -2.095 19413 14862 1 18 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.867 18.511 19413 14863 1 18 . 1 1 30 30 CYS H H 30 7.284 7.284 7.943 -0.659 19413 14864 1 18 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.359 0.718 19413 14865 1 18 . 1 1 31 31 PRO CA C 31 65.973 65.973 65.606 0.367 19413 14866 1 18 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.081 0.126 19413 14867 1 18 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.320 0.284 19413 14868 1 18 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.885 -1.438 19413 14869 1 18 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.518 1.536 19413 14870 1 18 . 1 1 33 33 CYS N N 33 117.365 117.365 117.103 0.262 19413 14871 1 18 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.189 0.350 19413 14872 1 18 . 1 1 33 33 CYS CA C 33 63.192 63.192 61.910 1.282 19413 14873 1 18 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.519 8.324 19413 14874 1 18 . 1 1 33 33 CYS H H 33 8.921 8.921 8.632 0.289 19413 14875 1 18 . 1 1 34 34 TYR N N 34 123.491 123.491 120.503 2.988 19413 14876 1 18 . 1 1 34 34 TYR HA H 34 2.762 2.762 3.177 -0.415 19413 14877 1 18 . 1 1 34 34 TYR CA C 34 60.433 60.433 61.784 -1.351 19413 14878 1 18 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.128 -0.643 19413 14879 1 18 . 1 1 34 34 TYR H H 34 7.650 7.650 7.463 0.187 19413 14880 1 18 . 1 1 35 35 GLN N N 35 118.639 118.639 117.704 0.935 19413 14881 1 18 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.820 -0.108 19413 14882 1 18 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.495 -0.085 19413 14883 1 18 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.029 -0.096 19413 14884 1 18 . 1 1 35 35 GLN H H 35 7.641 7.641 7.923 -0.282 19413 14885 1 18 . 1 1 36 36 PHE N N 36 121.254 121.254 116.456 4.798 19413 14886 1 18 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.196 -0.166 19413 14887 1 18 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.163 0.638 19413 14888 1 18 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.797 0.122 19413 14889 1 18 . 1 1 36 36 PHE H H 36 8.721 8.721 8.401 0.320 19413 14890 1 18 . 1 1 37 37 GLU N N 37 116.279 116.279 114.580 1.699 19413 14891 1 18 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.383 -0.056 19413 14892 1 18 . 1 1 37 37 GLU CA C 37 57.784 57.784 55.406 2.378 19413 14893 1 18 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.205 0.651 19413 14894 1 18 . 1 1 37 37 GLU H H 37 7.705 7.705 7.305 0.400 19413 14895 1 18 . 1 1 38 38 GLU N N 38 112.285 112.285 115.838 -3.553 19413 14896 1 18 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.070 -0.064 19413 14897 1 18 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.974 -1.396 19413 14898 1 18 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.582 -1.799 19413 14899 1 18 . 1 1 38 38 GLU H H 38 7.870 7.870 7.290 0.580 19413 14900 1 18 . 1 1 39 39 VAL N N 39 117.365 117.365 117.515 -0.150 19413 14901 1 18 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.020 -0.012 19413 14902 1 18 . 1 1 39 39 VAL CA C 39 63.965 63.965 64.094 -0.129 19413 14903 1 18 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.218 -0.857 19413 14904 1 18 . 1 1 39 39 VAL H H 39 6.850 6.850 7.701 -0.851 19413 14905 1 18 . 1 1 40 40 LEU N N 40 116.098 116.098 115.797 0.301 19413 14906 1 18 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.354 -0.261 19413 14907 1 18 . 1 1 40 40 LEU CA C 40 55.099 55.099 54.596 0.503 19413 14908 1 18 . 1 1 40 40 LEU CB C 40 43.113 43.113 42.923 0.190 19413 14909 1 18 . 1 1 40 40 LEU H H 40 8.171 8.171 7.828 0.343 19413 14910 1 18 . 1 1 41 41 HIS N N 41 111.930 111.930 116.510 -4.580 19413 14911 1 18 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.439 0.067 19413 14912 1 18 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.983 -1.516 19413 14913 1 18 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.974 -1.371 19413 14914 1 18 . 1 1 41 41 HIS H H 41 6.459 6.459 7.298 -0.839 19413 14915 1 18 . 1 1 42 42 VAL N N 42 120.465 120.465 120.873 -0.408 19413 14916 1 18 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.688 -0.660 19413 14917 1 18 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.329 1.643 19413 14918 1 18 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.619 0.267 19413 14919 1 18 . 1 1 42 42 VAL H H 42 8.621 8.621 8.572 0.049 19413 14920 1 18 . 1 1 43 43 SER N N 43 113.968 113.968 116.698 -2.730 19413 14921 1 18 . 1 1 43 43 SER HA H 43 4.002 4.002 4.148 -0.146 19413 14922 1 18 . 1 1 43 43 SER CA C 43 61.242 61.242 62.264 -1.022 19413 14923 1 18 . 1 1 43 43 SER CB C 43 62.565 62.565 62.936 -0.371 19413 14924 1 18 . 1 1 43 43 SER H H 43 8.040 8.040 8.229 -0.189 19413 14925 1 18 . 1 1 44 44 ASP N N 44 121.731 121.731 121.778 -0.047 19413 14926 1 18 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.373 0.041 19413 14927 1 18 . 1 1 44 44 ASP CA C 44 57.232 57.232 57.394 -0.162 19413 14928 1 18 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.966 0.066 19413 14929 1 18 . 1 1 44 44 ASP H H 44 8.215 8.215 7.942 0.273 19413 14930 1 18 . 1 1 45 45 ASN N N 45 118.906 118.906 118.036 0.870 19413 14931 1 18 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.452 -0.180 19413 14932 1 18 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.519 0.803 19413 14933 1 18 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.938 0.688 19413 14934 1 18 . 1 1 45 45 ASN H H 45 7.860 7.860 8.225 -0.365 19413 14935 1 18 . 1 1 46 46 VAL N N 46 119.934 119.934 118.479 1.455 19413 14936 1 18 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.816 -0.351 19413 14937 1 18 . 1 1 46 46 VAL CA C 46 66.801 66.801 65.106 1.695 19413 14938 1 18 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.276 0.073 19413 14939 1 18 . 1 1 46 46 VAL H H 46 8.583 8.583 8.403 0.180 19413 14940 1 18 . 1 1 47 47 ARG N N 47 119.655 119.655 121.237 -1.582 19413 14941 1 18 . 1 1 47 47 ARG HA H 47 3.821 3.821 4.011 -0.190 19413 14942 1 18 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.326 0.476 19413 14943 1 18 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.918 0.420 19413 14944 1 18 . 1 1 47 47 ARG H H 47 8.522 8.522 8.130 0.392 19413 14945 1 18 . 1 1 48 48 GLN N N 48 115.072 115.072 117.360 -2.288 19413 14946 1 18 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.209 -0.091 19413 14947 1 18 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.040 -0.311 19413 14948 1 18 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.653 0.357 19413 14949 1 18 . 1 1 48 48 GLN H H 48 7.605 7.605 8.235 -0.630 19413 14950 1 18 . 1 1 49 49 LYS N N 49 116.858 116.858 116.010 0.848 19413 14951 1 18 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.477 -0.055 19413 14952 1 18 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.619 -0.814 19413 14953 1 18 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.052 -0.404 19413 14954 1 18 . 1 1 49 49 LYS H H 49 7.460 7.460 7.908 -0.448 19413 14955 1 18 . 1 1 50 50 LEU N N 50 119.786 119.786 123.538 -3.752 19413 14956 1 18 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.337 0.062 19413 14957 1 18 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.317 -0.389 19413 14958 1 18 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.927 -0.973 19413 14959 1 18 . 1 1 50 50 LEU H H 50 7.215 7.215 7.562 -0.347 19413 14960 1 18 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.583 -0.107 19413 14961 1 18 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.141 0.131 19413 14962 1 18 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.625 -1.171 19413 14963 1 18 . 1 1 52 52 GLU N N 52 126.400 126.400 122.109 4.291 19413 14964 1 18 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.148 -0.048 19413 14965 1 18 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.181 0.934 19413 14966 1 18 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.466 0.870 19413 14967 1 18 . 1 1 52 52 GLU H H 52 8.935 8.935 8.709 0.226 19413 14968 1 18 . 1 1 53 53 GLY N N 53 113.671 113.671 112.813 0.858 19413 14969 1 18 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.416 -0.570 19413 14970 1 18 . 1 1 53 53 GLY H H 53 8.948 8.948 8.528 0.420 19413 14971 1 18 . 1 1 54 54 THR N N 54 118.129 118.129 117.130 0.999 19413 14972 1 18 . 1 1 54 54 THR HA H 54 4.161 4.161 3.936 0.225 19413 14973 1 18 . 1 1 54 54 THR CA C 54 63.707 63.707 65.511 -1.804 19413 14974 1 18 . 1 1 54 54 THR CB C 54 68.784 68.784 69.065 -0.281 19413 14975 1 18 . 1 1 54 54 THR H H 54 7.696 7.696 7.874 -0.178 19413 14976 1 18 . 1 1 55 55 LYS N N 55 129.892 129.892 118.019 11.873 19413 14977 1 18 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.089 0.286 19413 14978 1 18 . 1 1 55 55 LYS CA C 55 55.835 55.835 57.260 -1.425 19413 14979 1 18 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.960 0.488 19413 14980 1 18 . 1 1 55 55 LYS H H 55 8.757 8.757 8.386 0.371 19413 14981 1 18 . 1 1 56 56 MET N N 56 125.391 125.391 122.622 2.769 19413 14982 1 18 . 1 1 56 56 MET HA H 56 5.258 5.258 4.799 0.459 19413 14983 1 18 . 1 1 56 56 MET CA C 56 54.436 54.436 55.034 -0.598 19413 14984 1 18 . 1 1 56 56 MET CB C 56 34.394 34.394 35.754 -1.360 19413 14985 1 18 . 1 1 56 56 MET H H 56 8.512 8.512 8.421 0.091 19413 14986 1 18 . 1 1 57 57 THR N N 57 124.711 124.711 118.213 6.498 19413 14987 1 18 . 1 1 57 57 THR HA H 57 4.390 4.390 4.563 -0.173 19413 14988 1 18 . 1 1 57 57 THR CA C 57 61.942 61.942 60.777 1.165 19413 14989 1 18 . 1 1 57 57 THR CB C 57 70.952 70.952 71.130 -0.178 19413 14990 1 18 . 1 1 57 57 THR H H 57 8.830 8.830 8.857 -0.027 19413 14991 1 18 . 1 1 58 58 LYS N N 58 126.113 126.113 122.404 3.709 19413 14992 1 18 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.197 0.085 19413 14993 1 18 . 1 1 58 58 LYS CA C 58 54.501 54.501 56.619 -2.118 19413 14994 1 18 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.590 0.827 19413 14995 1 18 . 1 1 58 58 LYS H H 58 8.739 8.739 8.506 0.233 19413 14996 1 18 . 1 1 59 59 TYR N N 59 127.472 127.472 123.815 3.657 19413 14997 1 18 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.942 0.684 19413 14998 1 18 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.383 -3.558 19413 14999 1 18 . 1 1 59 59 TYR CB C 59 40.685 40.685 41.974 -1.289 19413 15000 1 18 . 1 1 59 59 TYR H H 59 9.524 9.524 9.491 0.033 19413 15001 1 18 . 1 1 60 60 HIS N N 60 123.656 123.656 116.479 7.177 19413 15002 1 18 . 1 1 60 60 HIS HA H 60 4.384 4.384 5.520 -1.136 19413 15003 1 18 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.216 2.251 19413 15004 1 18 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.156 -1.337 19413 15005 1 18 . 1 1 60 60 HIS H H 60 9.284 9.284 8.050 1.234 19413 15006 1 18 . 1 1 61 61 VAL N N 61 112.397 112.397 115.774 -3.377 19413 15007 1 18 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.769 -0.032 19413 15008 1 18 . 1 1 61 61 VAL CA C 61 58.079 58.079 60.050 -1.971 19413 15009 1 18 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.415 -1.530 19413 15010 1 18 . 1 1 61 61 VAL H H 61 6.262 6.262 8.211 -1.949 19413 15011 1 18 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.822 -0.781 19413 15012 1 18 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.183 0.145 19413 15013 1 18 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.111 0.641 19413 15014 1 18 . 1 1 63 63 PHE N N 63 111.215 111.215 119.711 -8.496 19413 15015 1 18 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.652 -0.081 19413 15016 1 18 . 1 1 63 63 PHE CA C 63 57.709 57.709 58.179 -0.470 19413 15017 1 18 . 1 1 63 63 PHE CB C 63 37.605 37.605 41.333 -3.728 19413 15018 1 18 . 1 1 63 63 PHE H H 63 6.419 6.419 8.200 -1.781 19413 15019 1 18 . 1 1 64 64 LEU N N 64 119.701 119.701 121.621 -1.920 19413 15020 1 18 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.373 0.322 19413 15021 1 18 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.514 -0.702 19413 15022 1 18 . 1 1 64 64 LEU CB C 64 44.338 44.338 43.891 0.447 19413 15023 1 18 . 1 1 64 64 LEU H H 64 6.396 6.396 7.888 -1.492 19413 15024 1 18 . 1 1 65 65 GLY N N 65 108.957 108.957 109.753 -0.796 19413 15025 1 18 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.329 -0.151 19413 15026 1 18 . 1 1 65 65 GLY H H 65 8.084 8.084 7.903 0.181 19413 15027 1 18 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.159 0.252 19413 15028 1 18 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.782 0.213 19413 15029 1 18 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.015 -0.224 19413 15030 1 18 . 1 1 67 67 LEU N N 67 114.479 114.479 118.612 -4.133 19413 15031 1 18 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.334 1.133 19413 15032 1 18 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.325 -1.432 19413 15033 1 18 . 1 1 67 67 LEU CB C 67 40.438 40.438 41.464 -1.026 19413 15034 1 18 . 1 1 67 67 LEU H H 67 7.484 7.484 7.939 -0.455 19413 15035 1 18 . 1 1 68 68 GLY N N 68 108.957 108.957 107.601 1.356 19413 15036 1 18 . 1 1 68 68 GLY CA C 68 49.507 49.507 46.855 2.652 19413 15037 1 18 . 1 1 68 68 GLY H H 68 7.659 7.659 7.755 -0.096 19413 15038 1 18 . 1 1 69 69 LYS N N 69 124.459 124.459 120.725 3.734 19413 15039 1 18 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.189 -0.143 19413 15040 1 18 . 1 1 69 69 LYS CA C 69 61.036 61.036 57.949 3.087 19413 15041 1 18 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.351 -0.759 19413 15042 1 18 . 1 1 69 69 LYS H H 69 9.149 9.149 7.756 1.393 19413 15043 1 18 . 1 1 70 70 ASP N N 70 122.631 122.631 121.014 1.617 19413 15044 1 18 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.506 0.209 19413 15045 1 18 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.299 0.596 19413 15046 1 18 . 1 1 70 70 ASP CB C 70 42.157 42.157 41.019 1.138 19413 15047 1 18 . 1 1 70 70 ASP H H 70 8.519 8.519 7.822 0.697 19413 15048 1 18 . 1 1 71 71 LEU N N 71 119.276 119.276 118.520 0.756 19413 15049 1 18 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.728 0.509 19413 15050 1 18 . 1 1 71 71 LEU CA C 71 57.277 57.277 57.700 -0.423 19413 15051 1 18 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.045 2.032 19413 15052 1 18 . 1 1 71 71 LEU H H 71 9.421 9.421 7.657 1.764 19413 15053 1 18 . 1 1 72 72 THR N N 72 119.204 119.204 113.293 5.911 19413 15054 1 18 . 1 1 72 72 THR HA H 72 4.033 4.033 3.449 0.584 19413 15055 1 18 . 1 1 72 72 THR CA C 72 67.403 67.403 66.412 0.991 19413 15056 1 18 . 1 1 72 72 THR CB C 72 68.170 68.170 68.047 0.123 19413 15057 1 18 . 1 1 72 72 THR H H 72 7.762 7.762 7.860 -0.098 19413 15058 1 18 . 1 1 73 73 GLN N N 73 125.845 125.845 120.654 5.191 19413 15059 1 18 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.898 -0.235 19413 15060 1 18 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.617 0.786 19413 15061 1 18 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.177 -2.618 19413 15062 1 18 . 1 1 73 73 GLN H H 73 7.822 7.822 7.747 0.075 19413 15063 1 18 . 1 1 74 74 ALA N N 74 123.013 123.013 122.956 0.057 19413 15064 1 18 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.139 -0.006 19413 15065 1 18 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.222 -0.319 19413 15066 1 18 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.092 1.058 19413 15067 1 18 . 1 1 74 74 ALA H H 74 8.966 8.966 8.406 0.560 19413 15068 1 18 . 1 1 75 75 TRP N N 75 120.717 120.717 120.147 0.570 19413 15069 1 18 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.449 0.450 19413 15070 1 18 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.377 -1.305 19413 15071 1 18 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.929 -0.338 19413 15072 1 18 . 1 1 75 75 TRP H H 75 8.932 8.932 8.706 0.226 19413 15073 1 18 . 1 1 76 76 ALA N N 76 119.394 119.394 120.479 -1.085 19413 15074 1 18 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.980 -0.005 19413 15075 1 18 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.258 -0.380 19413 15076 1 18 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.218 1.947 19413 15077 1 18 . 1 1 76 76 ALA H H 76 7.650 7.650 8.391 -0.741 19413 15078 1 18 . 1 1 77 77 VAL N N 77 119.658 119.658 119.466 0.192 19413 15079 1 18 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.616 -0.392 19413 15080 1 18 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.350 0.558 19413 15081 1 18 . 1 1 77 77 VAL CB C 77 30.117 30.117 30.859 -0.742 19413 15082 1 18 . 1 1 77 77 VAL H H 77 8.074 8.074 7.645 0.429 19413 15083 1 18 . 1 1 78 78 ALA N N 78 121.951 121.951 122.550 -0.599 19413 15084 1 18 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.265 -0.241 19413 15085 1 18 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.221 -0.380 19413 15086 1 18 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.284 -0.785 19413 15087 1 18 . 1 1 78 78 ALA H H 78 8.421 8.421 7.525 0.896 19413 15088 1 18 . 1 1 79 79 ILE N N 79 118.384 118.384 118.414 -0.030 19413 15089 1 18 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.808 -0.192 19413 15090 1 18 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.668 -0.684 19413 15091 1 18 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.649 0.547 19413 15092 1 18 . 1 1 79 79 ILE H H 79 8.122 8.122 8.118 0.004 19413 15093 1 18 . 1 1 80 80 ALA N N 80 124.708 124.708 121.789 2.919 19413 15094 1 18 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.102 -0.124 19413 15095 1 18 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.760 0.155 19413 15096 1 18 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.862 -0.757 19413 15097 1 18 . 1 1 80 80 ALA H H 80 8.694 8.694 7.777 0.917 19413 15098 1 18 . 1 1 81 81 LEU N N 81 114.303 114.303 115.418 -1.115 19413 15099 1 18 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.369 0.011 19413 15100 1 18 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.576 0.006 19413 15101 1 18 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.584 0.628 19413 15102 1 18 . 1 1 81 81 LEU H H 81 8.469 8.469 7.460 1.009 19413 15103 1 18 . 1 1 82 82 GLY N N 82 112.196 112.196 107.407 4.789 19413 15104 1 18 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.560 1.398 19413 15105 1 18 . 1 1 82 82 GLY H H 82 7.955 7.955 7.718 0.237 19413 15106 1 18 . 1 1 83 83 VAL N N 83 109.426 109.426 110.888 -1.462 19413 15107 1 18 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.481 0.440 19413 15108 1 18 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.621 -1.439 19413 15109 1 18 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.920 -1.479 19413 15110 1 18 . 1 1 83 83 VAL H H 83 8.267 8.267 7.657 0.610 19413 15111 1 18 . 1 1 84 84 GLU N N 84 127.081 127.081 123.027 4.054 19413 15112 1 18 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.685 -0.101 19413 15113 1 18 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.565 0.791 19413 15114 1 18 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.556 0.414 19413 15115 1 18 . 1 1 84 84 GLU H H 84 10.566 10.566 8.343 2.223 19413 15116 1 18 . 1 1 85 85 ASP N N 85 117.467 117.467 116.119 1.348 19413 15117 1 18 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.470 0.117 19413 15118 1 18 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.216 0.063 19413 15119 1 18 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.112 -0.380 19413 15120 1 18 . 1 1 85 85 ASP H H 85 8.946 8.946 8.792 0.154 19413 15121 1 18 . 1 1 86 86 LYS N N 86 119.121 119.121 116.405 2.716 19413 15122 1 18 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.376 0.043 19413 15123 1 18 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.126 0.053 19413 15124 1 18 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.952 -0.526 19413 15125 1 18 . 1 1 86 86 LYS H H 86 7.745 7.745 7.808 -0.063 19413 15126 1 18 . 1 1 87 87 ILE N N 87 108.193 108.193 113.749 -5.556 19413 15127 1 18 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.290 -0.052 19413 15128 1 18 . 1 1 87 87 ILE CA C 87 59.320 59.320 61.827 -2.507 19413 15129 1 18 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.180 1.820 19413 15130 1 18 . 1 1 87 87 ILE H H 87 7.343 7.343 7.589 -0.246 19413 15131 1 18 . 1 1 88 88 THR N N 88 119.455 119.455 117.992 1.463 19413 15132 1 18 . 1 1 88 88 THR HA H 88 4.053 4.053 3.952 0.101 19413 15133 1 18 . 1 1 88 88 THR CA C 88 69.780 69.780 67.413 2.367 19413 15134 1 18 . 1 1 88 88 THR CB C 88 68.491 68.491 68.609 -0.118 19413 15135 1 18 . 1 1 88 88 THR H H 88 7.746 7.746 8.018 -0.272 19413 15136 1 18 . 1 1 89 89 ALA N N 89 123.122 123.122 123.424 -0.302 19413 15137 1 18 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.572 0.028 19413 15138 1 18 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.063 1.228 19413 15139 1 18 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.839 -1.642 19413 15140 1 18 . 1 1 89 89 ALA H H 89 9.125 9.125 8.575 0.550 19413 15141 1 18 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.374 0.042 19413 15142 1 18 . 1 1 90 90 PRO CA C 90 65.221 65.221 64.771 0.450 19413 15143 1 18 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.363 0.047 19413 15144 1 18 . 1 1 91 91 MET N N 91 119.468 119.468 119.363 0.105 19413 15145 1 18 . 1 1 91 91 MET HA H 91 4.370 4.370 4.107 0.263 19413 15146 1 18 . 1 1 91 91 MET CA C 91 56.901 56.901 58.542 -1.641 19413 15147 1 18 . 1 1 91 91 MET CB C 91 30.059 30.059 32.047 -1.988 19413 15148 1 18 . 1 1 91 91 MET H H 91 8.176 8.176 7.433 0.743 19413 15149 1 18 . 1 1 92 92 PHE N N 92 120.720 120.720 118.391 2.329 19413 15150 1 18 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.320 0.198 19413 15151 1 18 . 1 1 92 92 PHE CA C 92 63.883 63.883 61.520 2.363 19413 15152 1 18 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.618 0.706 19413 15153 1 18 . 1 1 92 92 PHE H H 92 8.650 8.650 8.136 0.514 19413 15154 1 18 . 1 1 93 93 GLU N N 93 117.705 117.705 120.232 -2.527 19413 15155 1 18 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.079 -0.013 19413 15156 1 18 . 1 1 93 93 GLU CA C 93 59.403 59.403 60.177 -0.774 19413 15157 1 18 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.705 -0.063 19413 15158 1 18 . 1 1 93 93 GLU H H 93 8.240 8.240 8.087 0.153 19413 15159 1 18 . 1 1 94 94 ALA N N 94 123.067 123.067 119.471 3.596 19413 15160 1 18 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.471 -0.020 19413 15161 1 18 . 1 1 94 94 ALA CA C 94 53.995 53.995 54.342 -0.347 19413 15162 1 18 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.113 -0.110 19413 15163 1 18 . 1 1 94 94 ALA H H 94 8.431 8.431 7.349 1.082 19413 15164 1 18 . 1 1 95 95 VAL N N 95 115.582 115.582 115.101 0.481 19413 15165 1 18 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.935 -0.213 19413 15166 1 18 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.285 1.519 19413 15167 1 18 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.357 -0.618 19413 15168 1 18 . 1 1 95 95 VAL H H 95 8.467 8.467 7.671 0.796 19413 15169 1 18 . 1 1 96 96 GLN N N 96 113.295 113.295 117.521 -4.226 19413 15170 1 18 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.438 0.113 19413 15171 1 18 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.160 1.067 19413 15172 1 18 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.583 0.096 19413 15173 1 18 . 1 1 96 96 GLN H H 96 8.184 8.184 8.332 -0.148 19413 15174 1 18 . 1 1 97 97 LYS N N 97 118.621 118.621 120.011 -1.390 19413 15175 1 18 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.224 0.463 19413 15176 1 18 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.710 -1.551 19413 15177 1 18 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.190 -0.648 19413 15178 1 18 . 1 1 97 97 LYS H H 97 8.231 8.231 7.845 0.386 19413 15179 1 18 . 1 1 98 98 THR N N 98 110.486 110.486 107.500 2.986 19413 15180 1 18 . 1 1 98 98 THR HA H 98 4.285 4.285 4.413 -0.128 19413 15181 1 18 . 1 1 98 98 THR CA C 98 62.420 62.420 61.777 0.643 19413 15182 1 18 . 1 1 98 98 THR CB C 98 68.343 68.343 71.037 -2.694 19413 15183 1 18 . 1 1 98 98 THR H H 98 8.612 8.612 8.100 0.512 19413 15184 1 18 . 1 1 99 99 GLN N N 99 115.751 115.751 116.935 -1.184 19413 15185 1 18 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.122 0.063 19413 15186 1 18 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.177 -0.191 19413 15187 1 18 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.558 -0.935 19413 15188 1 18 . 1 1 99 99 GLN H H 99 6.979 6.979 7.974 -0.995 19413 15189 1 18 . 1 1 100 100 THR N N 100 108.660 108.660 112.970 -4.310 19413 15190 1 18 . 1 1 100 100 THR HA H 100 4.350 4.350 4.152 0.198 19413 15191 1 18 . 1 1 100 100 THR CA C 100 61.035 61.035 64.209 -3.174 19413 15192 1 18 . 1 1 100 100 THR CB C 100 68.306 68.306 69.372 -1.066 19413 15193 1 18 . 1 1 100 100 THR H H 100 8.362 8.362 7.656 0.706 19413 15194 1 18 . 1 1 101 101 VAL N N 101 121.417 121.417 122.865 -1.448 19413 15195 1 18 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.672 0.521 19413 15196 1 18 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.544 -2.577 19413 15197 1 18 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.000 0.349 19413 15198 1 18 . 1 1 101 101 VAL H H 101 7.376 7.376 7.788 -0.412 19413 15199 1 18 . 1 1 102 102 GLN N N 102 127.472 127.472 125.318 2.154 19413 15200 1 18 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.593 -0.029 19413 15201 1 18 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.597 -0.481 19413 15202 1 18 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.493 -1.725 19413 15203 1 18 . 1 1 102 102 GLN H H 102 9.583 9.583 8.528 1.055 19413 15204 1 18 . 1 1 103 103 SER N N 103 116.698 116.698 114.042 2.656 19413 15205 1 18 . 1 1 103 103 SER HA H 103 4.883 4.883 4.772 0.111 19413 15206 1 18 . 1 1 103 103 SER CA C 103 56.423 56.423 57.259 -0.836 19413 15207 1 18 . 1 1 103 103 SER CB C 103 66.834 66.834 66.039 0.795 19413 15208 1 18 . 1 1 103 103 SER H H 103 8.539 8.539 8.424 0.115 19413 15209 1 18 . 1 1 104 104 VAL N N 104 120.375 120.375 123.490 -3.115 19413 15210 1 18 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.720 0.020 19413 15211 1 18 . 1 1 104 104 VAL CA C 104 65.756 65.756 65.623 0.133 19413 15212 1 18 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.455 -0.526 19413 15213 1 18 . 1 1 104 104 VAL H H 104 8.929 8.929 8.680 0.249 19413 15214 1 18 . 1 1 105 105 ALA N N 105 125.255 125.255 119.860 5.395 19413 15215 1 18 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.038 -0.038 19413 15216 1 18 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.516 0.390 19413 15217 1 18 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.679 0.374 19413 15218 1 18 . 1 1 105 105 ALA H H 105 8.099 8.099 8.265 -0.166 19413 15219 1 18 . 1 1 106 106 ASP N N 106 118.317 118.317 117.649 0.668 19413 15220 1 18 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.615 -0.240 19413 15221 1 18 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.391 0.273 19413 15222 1 18 . 1 1 106 106 ASP CB C 106 42.767 42.767 42.067 0.700 19413 15223 1 18 . 1 1 106 106 ASP H H 106 7.603 7.603 8.039 -0.436 19413 15224 1 18 . 1 1 107 107 ILE N N 107 120.210 120.210 119.735 0.475 19413 15225 1 18 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.947 -0.616 19413 15226 1 18 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.197 1.412 19413 15227 1 18 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.799 0.091 19413 15228 1 18 . 1 1 107 107 ILE H H 107 7.342 7.342 7.324 0.018 19413 15229 1 18 . 1 1 108 108 ARG N N 108 119.234 119.234 120.002 -0.768 19413 15230 1 18 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.335 -0.538 19413 15231 1 18 . 1 1 108 108 ARG CA C 108 58.656 58.656 59.332 -0.676 19413 15232 1 18 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.971 0.870 19413 15233 1 18 . 1 1 108 108 ARG H H 108 6.677 6.677 8.205 -1.528 19413 15234 1 18 . 1 1 109 109 LYS N N 109 117.662 117.662 120.353 -2.691 19413 15235 1 18 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.043 -0.197 19413 15236 1 18 . 1 1 109 109 LYS CA C 109 59.219 59.219 58.328 0.892 19413 15237 1 18 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.279 0.695 19413 15238 1 18 . 1 1 109 109 LYS H H 109 7.164 7.164 7.560 -0.396 19413 15239 1 18 . 1 1 110 110 VAL N N 110 118.257 118.257 119.246 -0.989 19413 15240 1 18 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.604 0.037 19413 15241 1 18 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.726 -0.664 19413 15242 1 18 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.449 -0.225 19413 15243 1 18 . 1 1 110 110 VAL H H 110 7.269 7.269 7.442 -0.173 19413 15244 1 18 . 1 1 111 111 PHE N N 111 118.699 118.699 118.526 0.173 19413 15245 1 18 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.095 -0.185 19413 15246 1 18 . 1 1 111 111 PHE CA C 111 61.480 61.480 63.036 -1.556 19413 15247 1 18 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.565 -0.142 19413 15248 1 18 . 1 1 111 111 PHE H H 111 7.411 7.411 7.678 -0.267 19413 15249 1 18 . 1 1 112 112 VAL N N 112 121.527 121.527 119.354 2.173 19413 15250 1 18 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.942 0.669 19413 15251 1 18 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.607 -0.888 19413 15252 1 18 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.567 -0.196 19413 15253 1 18 . 1 1 112 112 VAL H H 112 8.424 8.424 7.559 0.865 19413 15254 1 18 . 1 1 113 113 ASP N N 113 124.032 124.032 120.226 3.806 19413 15255 1 18 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.393 0.054 19413 15256 1 18 . 1 1 113 113 ASP CA C 113 56.678 56.678 57.405 -0.727 19413 15257 1 18 . 1 1 113 113 ASP CB C 113 39.280 39.280 41.165 -1.885 19413 15258 1 18 . 1 1 113 113 ASP H H 113 9.048 9.048 8.338 0.710 19413 15259 1 18 . 1 1 114 114 ALA N N 114 121.399 121.399 120.394 1.005 19413 15260 1 18 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.110 0.357 19413 15261 1 18 . 1 1 114 114 ALA CA C 114 51.878 51.878 53.944 -2.066 19413 15262 1 18 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.645 -1.032 19413 15263 1 18 . 1 1 114 114 ALA H H 114 7.505 7.505 7.928 -0.423 19413 15264 1 18 . 1 1 115 115 GLY N N 115 105.755 105.755 103.443 2.312 19413 15265 1 18 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.720 0.383 19413 15266 1 18 . 1 1 115 115 GLY H H 115 7.895 7.895 7.689 0.206 19413 15267 1 18 . 1 1 116 116 VAL N N 116 124.542 124.542 121.905 2.637 19413 15268 1 18 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.014 0.006 19413 15269 1 18 . 1 1 116 116 VAL CA C 116 61.601 61.601 62.945 -1.344 19413 15270 1 18 . 1 1 116 116 VAL CB C 116 31.739 31.739 32.539 -0.800 19413 15271 1 18 . 1 1 116 116 VAL H H 116 8.095 8.095 7.900 0.195 19413 15272 1 18 . 1 1 117 117 LYS N N 117 128.363 128.363 128.043 0.320 19413 15273 1 18 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.175 0.008 19413 15274 1 18 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.357 -0.272 19413 15275 1 18 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.160 -1.348 19413 15276 1 18 . 1 1 117 117 LYS H H 117 9.102 9.102 8.752 0.350 19413 15277 1 18 . 1 1 118 118 GLY N N 118 116.049 116.049 114.230 1.819 19413 15278 1 18 . 1 1 118 118 GLY CA C 118 47.668 47.668 47.142 0.526 19413 15279 1 18 . 1 1 118 118 GLY H H 118 9.300 9.300 9.049 0.251 19413 15280 1 18 . 1 1 119 119 GLU N N 119 118.512 118.512 118.916 -0.404 19413 15281 1 18 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.110 0.116 19413 15282 1 18 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.555 0.968 19413 15283 1 18 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.181 -0.368 19413 15284 1 18 . 1 1 119 119 GLU H H 119 9.501 9.501 8.724 0.777 19413 15285 1 18 . 1 1 120 120 ASP N N 120 121.262 121.262 120.218 1.044 19413 15286 1 18 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.580 -0.001 19413 15287 1 18 . 1 1 120 120 ASP CA C 120 56.559 56.559 55.877 0.682 19413 15288 1 18 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.549 -1.917 19413 15289 1 18 . 1 1 120 120 ASP H H 120 7.088 7.088 7.617 -0.529 19413 15290 1 18 . 1 1 121 121 TYR N N 121 123.619 123.619 121.959 1.660 19413 15291 1 18 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.029 -0.307 19413 15292 1 18 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.755 0.396 19413 15293 1 18 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.479 -0.477 19413 15294 1 18 . 1 1 121 121 TYR H H 121 7.986 7.986 7.984 0.002 19413 15295 1 18 . 1 1 122 122 ASP N N 122 119.702 119.702 118.330 1.372 19413 15296 1 18 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.554 -0.300 19413 15297 1 18 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.818 1.304 19413 15298 1 18 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.795 -1.184 19413 15299 1 18 . 1 1 122 122 ASP H H 122 8.812 8.812 8.239 0.573 19413 15300 1 18 . 1 1 123 123 ALA N N 123 121.138 121.138 121.222 -0.084 19413 15301 1 18 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.323 -0.097 19413 15302 1 18 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.105 0.125 19413 15303 1 18 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.165 -1.039 19413 15304 1 18 . 1 1 123 123 ALA H H 123 7.696 7.696 7.263 0.433 19413 15305 1 18 . 1 1 124 124 ALA N N 124 120.299 120.299 122.454 -2.155 19413 15306 1 18 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.073 0.033 19413 15307 1 18 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.847 -0.521 19413 15308 1 18 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.189 0.376 19413 15309 1 18 . 1 1 124 124 ALA H H 124 7.935 7.935 8.165 -0.230 19413 15310 1 18 . 1 1 125 125 TRP N N 125 121.357 121.357 122.063 -0.706 19413 15311 1 18 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.392 -0.916 19413 15312 1 18 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.140 1.323 19413 15313 1 18 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.225 -0.848 19413 15314 1 18 . 1 1 125 125 TRP H H 125 8.948 8.948 8.529 0.419 19413 15315 1 18 . 1 1 126 126 ASN N N 126 110.817 110.817 112.636 -1.819 19413 15316 1 18 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.692 0.150 19413 15317 1 18 . 1 1 126 126 ASN CA C 126 52.522 52.522 53.347 -0.825 19413 15318 1 18 . 1 1 126 126 ASN CB C 126 40.070 40.070 38.489 1.581 19413 15319 1 18 . 1 1 126 126 ASN H H 126 7.024 7.024 7.902 -0.878 19413 15320 1 18 . 1 1 127 127 SER N N 127 116.650 116.650 115.373 1.277 19413 15321 1 18 . 1 1 127 127 SER HA H 127 4.472 4.472 4.512 -0.040 19413 15322 1 18 . 1 1 127 127 SER CA C 127 58.535 58.535 57.397 1.138 19413 15323 1 18 . 1 1 127 127 SER CB C 127 65.513 65.513 64.607 0.906 19413 15324 1 18 . 1 1 127 127 SER H H 127 7.831 7.831 7.711 0.120 19413 15325 1 18 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.335 -0.057 19413 15326 1 18 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.660 0.396 19413 15327 1 18 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.234 -0.866 19413 15328 1 18 . 1 1 129 129 VAL N N 129 120.058 120.058 118.791 1.267 19413 15329 1 18 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.685 0.029 19413 15330 1 18 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.763 -1.091 19413 15331 1 18 . 1 1 129 129 VAL CB C 129 31.778 31.778 30.963 0.815 19413 15332 1 18 . 1 1 129 129 VAL H H 129 8.340 8.340 7.765 0.575 19413 15333 1 18 . 1 1 130 130 VAL N N 130 122.552 122.552 119.051 3.501 19413 15334 1 18 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.583 -0.072 19413 15335 1 18 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.673 0.161 19413 15336 1 18 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.244 -0.020 19413 15337 1 18 . 1 1 130 130 VAL H H 130 7.163 7.163 7.567 -0.404 19413 15338 1 18 . 1 1 131 131 LYS N N 131 122.079 122.079 119.777 2.302 19413 15339 1 18 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.730 0.026 19413 15340 1 18 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.303 0.431 19413 15341 1 18 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.257 0.261 19413 15342 1 18 . 1 1 131 131 LYS H H 131 7.852 7.852 7.499 0.353 19413 15343 1 18 . 1 1 132 132 SER N N 132 115.836 115.836 114.468 1.368 19413 15344 1 18 . 1 1 132 132 SER HA H 132 4.155 4.155 4.032 0.123 19413 15345 1 18 . 1 1 132 132 SER CA C 132 61.022 61.022 61.168 -0.146 19413 15346 1 18 . 1 1 132 132 SER CB C 132 62.309 62.309 62.736 -0.427 19413 15347 1 18 . 1 1 132 132 SER H H 132 8.258 8.258 7.941 0.317 19413 15348 1 18 . 1 1 133 133 LEU N N 133 124.754 124.754 122.448 2.306 19413 15349 1 18 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.951 0.246 19413 15350 1 18 . 1 1 133 133 LEU CA C 133 57.564 57.564 58.077 -0.513 19413 15351 1 18 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.022 2.139 19413 15352 1 18 . 1 1 133 133 LEU H H 133 8.140 8.140 7.794 0.346 19413 15353 1 18 . 1 1 134 134 VAL N N 134 123.461 123.461 119.467 3.994 19413 15354 1 18 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.755 -0.474 19413 15355 1 18 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.539 2.318 19413 15356 1 18 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.124 -0.268 19413 15357 1 18 . 1 1 134 134 VAL H H 134 8.718 8.718 8.480 0.238 19413 15358 1 18 . 1 1 135 135 ALA N N 135 121.739 121.739 119.741 1.998 19413 15359 1 18 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.984 0.180 19413 15360 1 18 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.187 -0.258 19413 15361 1 18 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.073 -0.646 19413 15362 1 18 . 1 1 135 135 ALA H H 135 7.513 7.513 7.821 -0.308 19413 15363 1 18 . 1 1 136 136 GLN N N 136 119.033 119.033 117.836 1.197 19413 15364 1 18 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.962 0.114 19413 15365 1 18 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.740 0.369 19413 15366 1 18 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.256 0.829 19413 15367 1 18 . 1 1 136 136 GLN H H 136 8.473 8.473 7.932 0.541 19413 15368 1 18 . 1 1 137 137 GLN N N 137 119.734 119.734 118.799 0.935 19413 15369 1 18 . 1 1 137 137 GLN HA H 137 3.512 3.512 3.940 -0.428 19413 15370 1 18 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.656 1.226 19413 15371 1 18 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.078 2.765 19413 15372 1 18 . 1 1 137 137 GLN H H 137 7.995 7.995 7.515 0.480 19413 15373 1 18 . 1 1 138 138 GLU N N 138 121.309 121.309 120.229 1.080 19413 15374 1 18 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.009 -0.074 19413 15375 1 18 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.859 -0.882 19413 15376 1 18 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.218 -0.253 19413 15377 1 18 . 1 1 138 138 GLU H H 138 8.291 8.291 8.648 -0.357 19413 15378 1 18 . 1 1 139 139 LYS N N 139 122.121 122.121 119.604 2.517 19413 15379 1 18 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.047 0.070 19413 15380 1 18 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.190 -0.266 19413 15381 1 18 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.461 0.131 19413 15382 1 18 . 1 1 139 139 LYS H H 139 8.603 8.603 7.882 0.721 19413 15383 1 18 . 1 1 140 140 ALA N N 140 120.286 120.286 121.740 -1.454 19413 15384 1 18 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.181 0.229 19413 15385 1 18 . 1 1 140 140 ALA CA C 140 55.063 55.063 55.020 0.043 19413 15386 1 18 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.576 -0.130 19413 15387 1 18 . 1 1 140 140 ALA H H 140 8.140 8.140 7.684 0.456 19413 15388 1 18 . 1 1 141 141 ALA N N 141 116.994 116.994 121.256 -4.262 19413 15389 1 18 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.023 -0.375 19413 15390 1 18 . 1 1 141 141 ALA CA C 141 54.515 54.515 54.593 -0.078 19413 15391 1 18 . 1 1 141 141 ALA CB C 141 18.001 18.001 18.855 -0.854 19413 15392 1 18 . 1 1 141 141 ALA H H 141 7.251 7.251 8.725 -1.474 19413 15393 1 18 . 1 1 142 142 ALA N N 142 121.272 121.272 118.918 2.354 19413 15394 1 18 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.190 -0.006 19413 15395 1 18 . 1 1 142 142 ALA CA C 142 54.657 54.657 53.734 0.923 19413 15396 1 18 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.428 -0.211 19413 15397 1 18 . 1 1 142 142 ALA H H 142 7.940 7.940 7.932 0.008 19413 15398 1 18 . 1 1 143 143 ASP N N 143 121.599 121.599 118.521 3.078 19413 15399 1 18 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.526 -0.190 19413 15400 1 18 . 1 1 143 143 ASP CA C 143 56.975 56.975 55.356 1.619 19413 15401 1 18 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.507 -1.472 19413 15402 1 18 . 1 1 143 143 ASP H H 143 9.272 9.272 7.744 1.528 19413 15403 1 18 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.949 0.162 19413 15404 1 18 . 1 1 144 144 LEU CA C 144 54.547 54.547 56.323 -1.776 19413 15405 1 18 . 1 1 144 144 LEU CB C 144 41.055 41.055 39.217 1.838 19413 15406 1 18 . 1 1 145 145 GLN N N 145 116.940 116.940 117.667 -0.727 19413 15407 1 18 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.045 -0.293 19413 15408 1 18 . 1 1 145 145 GLN CA C 145 55.823 55.823 57.069 -1.246 19413 15409 1 18 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.681 -2.549 19413 15410 1 18 . 1 1 145 145 GLN H H 145 7.750 7.750 8.318 -0.568 19413 15411 1 18 . 1 1 146 146 LEU N N 146 119.399 119.399 118.365 1.034 19413 15412 1 18 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.626 -0.740 19413 15413 1 18 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.352 0.961 19413 15414 1 18 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.292 -0.150 19413 15415 1 18 . 1 1 146 146 LEU H H 146 7.516 7.516 7.569 -0.053 19413 15416 1 18 . 1 1 147 147 GLN N N 147 123.118 123.118 123.506 -0.388 19413 15417 1 18 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.366 -0.219 19413 15418 1 18 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.274 -0.407 19413 15419 1 18 . 1 1 147 147 GLN CB C 147 30.525 30.525 29.825 0.700 19413 15420 1 18 . 1 1 147 147 GLN H H 147 8.895 8.895 8.478 0.417 19413 15421 1 18 . 1 1 148 148 GLY N N 148 106.555 106.555 108.556 -2.001 19413 15422 1 18 . 1 1 148 148 GLY CA C 148 45.104 45.104 45.174 -0.070 19413 15423 1 18 . 1 1 148 148 GLY H H 148 7.275 7.275 7.947 -0.672 19413 15424 1 18 . 1 1 149 149 VAL N N 149 110.030 110.030 120.000 -9.970 19413 15425 1 18 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.440 0.031 19413 15426 1 18 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.720 -1.083 19413 15427 1 18 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.551 2.131 19413 15428 1 18 . 1 1 149 149 VAL H H 149 8.267 8.267 7.841 0.426 19413 15429 1 18 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.573 0.237 19413 15430 1 18 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.706 -0.562 19413 15431 1 18 . 1 1 150 150 PRO CB C 150 34.926 34.926 31.809 3.117 19413 15432 1 18 . 1 1 151 151 ALA N N 151 123.567 123.567 126.561 -2.994 19413 15433 1 18 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.605 0.280 19413 15434 1 18 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.345 0.280 19413 15435 1 18 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.299 2.548 19413 15436 1 18 . 1 1 151 151 ALA H H 151 8.249 8.249 8.484 -0.235 19413 15437 1 18 . 1 1 152 152 MET N N 152 121.866 121.866 123.620 -1.754 19413 15438 1 18 . 1 1 152 152 MET HA H 152 5.724 5.724 4.826 0.898 19413 15439 1 18 . 1 1 152 152 MET CA C 152 55.487 55.487 54.995 0.492 19413 15440 1 18 . 1 1 152 152 MET CB C 152 36.830 36.830 34.687 2.143 19413 15441 1 18 . 1 1 152 152 MET H H 152 8.610 8.610 8.506 0.104 19413 15442 1 18 . 1 1 153 153 TYR N N 153 124.782 124.782 122.986 1.796 19413 15443 1 18 . 1 1 153 153 TYR HA H 153 5.754 5.754 4.758 0.996 19413 15444 1 18 . 1 1 153 153 TYR CA C 153 56.208 56.208 58.660 -2.452 19413 15445 1 18 . 1 1 153 153 TYR CB C 153 42.990 42.990 40.491 2.499 19413 15446 1 18 . 1 1 153 153 TYR H H 153 9.685 9.685 8.107 1.578 19413 15447 1 18 . 1 1 154 154 VAL N N 154 121.914 121.914 117.131 4.783 19413 15448 1 18 . 1 1 154 154 VAL CB C 154 34.660 34.660 34.127 0.533 19413 15449 1 18 . 1 1 154 154 VAL H H 154 9.441 9.441 8.392 1.049 19413 15450 1 18 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.861 -0.122 19413 15451 1 18 . 1 1 155 155 ASN CA C 155 54.473 54.473 53.297 1.176 19413 15452 1 18 . 1 1 155 155 ASN CB C 155 37.154 37.154 41.247 -4.093 19413 15453 1 18 . 1 1 156 156 GLY N N 156 106.059 106.059 108.479 -2.420 19413 15454 1 18 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.458 -0.272 19413 15455 1 18 . 1 1 156 156 GLY H H 156 9.354 9.354 8.865 0.489 19413 15456 1 18 . 1 1 157 157 LYS N N 157 114.357 114.357 116.367 -2.010 19413 15457 1 18 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.407 0.145 19413 15458 1 18 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.419 1.335 19413 15459 1 18 . 1 1 157 157 LYS CB C 157 36.788 36.788 33.606 3.182 19413 15460 1 18 . 1 1 157 157 LYS H H 157 7.877 7.877 7.991 -0.114 19413 15461 1 18 . 1 1 158 158 TYR N N 158 117.900 117.900 118.137 -0.237 19413 15462 1 18 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.605 0.259 19413 15463 1 18 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.296 -1.440 19413 15464 1 18 . 1 1 158 158 TYR CB C 158 42.879 42.879 41.246 1.633 19413 15465 1 18 . 1 1 158 158 TYR H H 158 7.876 7.876 7.671 0.205 19413 15466 1 18 . 1 1 159 159 GLN N N 159 125.094 125.094 120.605 4.489 19413 15467 1 18 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.051 -0.298 19413 15468 1 18 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.633 -0.227 19413 15469 1 18 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.428 -1.579 19413 15470 1 18 . 1 1 159 159 GLN H H 159 9.701 9.701 9.146 0.555 19413 15471 1 18 . 1 1 160 160 LEU N N 160 131.941 131.941 122.536 9.405 19413 15472 1 18 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.267 -0.256 19413 15473 1 18 . 1 1 160 160 LEU CA C 160 53.995 53.995 54.781 -0.786 19413 15474 1 18 . 1 1 160 160 LEU CB C 160 40.075 40.075 42.244 -2.169 19413 15475 1 18 . 1 1 160 160 LEU H H 160 8.551 8.551 8.018 0.533 19413 15476 1 18 . 1 1 161 161 ASN N N 161 118.639 118.639 120.042 -1.403 19413 15477 1 18 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.201 0.295 19413 15478 1 18 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.321 -0.552 19413 15479 1 18 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.416 -0.505 19413 15480 1 18 . 1 1 161 161 ASN H H 161 8.285 8.285 8.294 -0.009 19413 15481 1 18 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.603 0.186 19413 15482 1 18 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.238 -0.464 19413 15483 1 18 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.416 -0.238 19413 15484 1 18 . 1 1 163 163 GLN N N 163 116.006 116.006 117.125 -1.119 19413 15485 1 18 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.463 -0.237 19413 15486 1 18 . 1 1 163 163 GLN CA C 163 57.966 57.966 56.812 1.154 19413 15487 1 18 . 1 1 163 163 GLN CB C 163 27.976 27.976 27.471 0.505 19413 15488 1 18 . 1 1 163 163 GLN H H 163 8.086 8.086 8.604 -0.518 19413 15489 1 18 . 1 1 164 164 GLY N N 164 107.393 107.393 106.748 0.645 19413 15490 1 18 . 1 1 164 164 GLY CA C 164 44.603 44.603 45.017 -0.414 19413 15491 1 18 . 1 1 164 164 GLY H H 164 8.030 8.030 8.292 -0.262 19413 15492 1 18 . 1 1 165 165 MET N N 165 119.802 119.802 119.488 0.314 19413 15493 1 18 . 1 1 165 165 MET HA H 165 4.636 4.636 4.577 0.059 19413 15494 1 18 . 1 1 165 165 MET CA C 165 54.567 54.567 55.019 -0.452 19413 15495 1 18 . 1 1 165 165 MET CB C 165 34.464 34.464 34.813 -0.349 19413 15496 1 18 . 1 1 165 165 MET H H 165 7.451 7.451 7.602 -0.151 19413 15497 1 18 . 1 1 166 166 ASP N N 166 121.681 121.681 120.560 1.121 19413 15498 1 18 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.540 0.093 19413 15499 1 18 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.948 -0.767 19413 15500 1 18 . 1 1 166 166 ASP CB C 166 40.653 40.653 40.674 -0.021 19413 15501 1 18 . 1 1 166 166 ASP H H 166 8.694 8.694 8.569 0.125 19413 15502 1 18 . 1 1 167 167 THR N N 167 112.609 112.609 116.644 -4.035 19413 15503 1 18 . 1 1 167 167 THR HA H 167 4.224 4.224 4.629 -0.405 19413 15504 1 18 . 1 1 167 167 THR CA C 167 60.340 60.340 60.934 -0.593 19413 15505 1 18 . 1 1 167 167 THR CB C 167 68.416 68.416 68.093 0.323 19413 15506 1 18 . 1 1 167 167 THR H H 167 7.860 7.860 8.254 -0.394 19413 15507 1 18 . 1 1 168 168 SER N N 168 118.936 118.936 118.675 0.261 19413 15508 1 18 . 1 1 168 168 SER HA H 168 4.158 4.158 4.366 -0.208 19413 15509 1 18 . 1 1 168 168 SER CA C 168 60.874 60.874 61.019 -0.145 19413 15510 1 18 . 1 1 168 168 SER CB C 168 63.123 63.123 63.549 -0.426 19413 15511 1 18 . 1 1 168 168 SER H H 168 8.739 8.739 8.706 0.033 19413 15512 1 18 . 1 1 169 169 ASN N N 169 117.875 117.875 116.059 1.816 19413 15513 1 18 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.898 -0.125 19413 15514 1 18 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.404 -1.056 19413 15515 1 18 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.047 0.645 19413 15516 1 18 . 1 1 169 169 ASN H H 169 7.341 7.341 8.268 -0.927 19413 15517 1 18 . 1 1 170 170 MET N N 170 123.431 123.431 113.975 9.456 19413 15518 1 18 . 1 1 170 170 MET HA H 170 4.600 4.600 3.988 0.612 19413 15519 1 18 . 1 1 170 170 MET CA C 170 57.233 57.233 57.662 -0.429 19413 15520 1 18 . 1 1 170 170 MET CB C 170 32.751 32.751 29.619 3.131 19413 15521 1 18 . 1 1 170 170 MET H H 170 9.186 9.186 8.613 0.573 19413 15522 1 18 . 1 1 171 171 ASP N N 171 120.825 120.825 120.719 0.106 19413 15523 1 18 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.452 0.041 19413 15524 1 18 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.746 -0.240 19413 15525 1 18 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.507 -1.719 19413 15526 1 18 . 1 1 171 171 ASP H H 171 8.232 8.232 8.136 0.096 19413 15527 1 18 . 1 1 172 172 VAL N N 172 122.666 122.666 119.891 2.775 19413 15528 1 18 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.819 -0.041 19413 15529 1 18 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.312 0.227 19413 15530 1 18 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.120 0.735 19413 15531 1 18 . 1 1 172 172 VAL H H 172 7.872 7.872 8.018 -0.146 19413 15532 1 18 . 1 1 173 173 PHE N N 173 121.872 121.872 121.158 0.714 19413 15533 1 18 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.269 0.111 19413 15534 1 18 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.794 -0.330 19413 15535 1 18 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.856 0.418 19413 15536 1 18 . 1 1 173 173 PHE H H 173 8.250 8.250 8.035 0.215 19413 15537 1 18 . 1 1 174 174 VAL N N 174 117.535 117.535 118.931 -1.396 19413 15538 1 18 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.665 -0.622 19413 15539 1 18 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.144 0.759 19413 15540 1 18 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.876 0.495 19413 15541 1 18 . 1 1 174 174 VAL H H 174 8.138 8.138 7.784 0.354 19413 15542 1 18 . 1 1 175 175 ALA N N 175 121.129 121.129 121.355 -0.226 19413 15543 1 18 . 1 1 175 175 ALA HA H 175 4.126 4.126 4.068 0.058 19413 15544 1 18 . 1 1 175 175 ALA CA C 175 54.768 54.768 54.746 0.022 19413 15545 1 18 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.512 -0.498 19413 15546 1 18 . 1 1 175 175 ALA H H 175 7.396 7.396 7.780 -0.384 19413 15547 1 18 . 1 1 176 176 GLN N N 176 120.043 120.043 116.316 3.727 19413 15548 1 18 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.219 -0.140 19413 15549 1 18 . 1 1 176 176 GLN CA C 176 58.962 58.962 57.852 1.110 19413 15550 1 18 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.563 -1.514 19413 15551 1 18 . 1 1 176 176 GLN H H 176 8.721 8.721 7.543 1.178 19413 15552 1 18 . 1 1 177 177 TYR N N 177 127.981 127.981 123.359 4.622 19413 15553 1 18 . 1 1 177 177 TYR HA H 177 3.591 3.591 4.037 -0.446 19413 15554 1 18 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.746 -0.184 19413 15555 1 18 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.386 -0.408 19413 15556 1 18 . 1 1 177 177 TYR H H 177 9.002 9.002 8.423 0.579 19413 15557 1 18 . 1 1 178 178 ALA N N 178 119.796 119.796 119.404 0.392 19413 15558 1 18 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.938 0.092 19413 15559 1 18 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.393 0.012 19413 15560 1 18 . 1 1 178 178 ALA CB C 178 17.969 17.969 18.103 -0.134 19413 15561 1 18 . 1 1 178 178 ALA H H 178 8.392 8.392 8.194 0.198 19413 15562 1 18 . 1 1 179 179 ASP N N 179 117.823 117.823 117.464 0.359 19413 15563 1 18 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.384 0.035 19413 15564 1 18 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.235 0.061 19413 15565 1 18 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.852 0.951 19413 15566 1 18 . 1 1 179 179 ASP H H 179 8.379 8.379 7.826 0.553 19413 15567 1 18 . 1 1 180 180 THR N N 180 117.846 117.846 115.708 2.138 19413 15568 1 18 . 1 1 180 180 THR HA H 180 4.179 4.179 3.994 0.185 19413 15569 1 18 . 1 1 180 180 THR CA C 180 67.378 67.378 65.775 1.603 19413 15570 1 18 . 1 1 180 180 THR CB C 180 67.733 67.733 68.445 -0.712 19413 15571 1 18 . 1 1 180 180 THR H H 180 8.255 8.255 7.780 0.475 19413 15572 1 18 . 1 1 181 181 VAL N N 181 120.101 120.101 120.411 -0.310 19413 15573 1 18 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.555 -0.374 19413 15574 1 18 . 1 1 181 181 VAL CA C 181 67.780 67.780 67.021 0.759 19413 15575 1 18 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.065 -0.134 19413 15576 1 18 . 1 1 181 181 VAL H H 181 7.772 7.772 8.196 -0.424 19413 15577 1 18 . 1 1 182 182 LYS N N 182 119.144 119.144 119.687 -0.543 19413 15578 1 18 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.991 -0.361 19413 15579 1 18 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.096 1.265 19413 15580 1 18 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.081 0.199 19413 15581 1 18 . 1 1 182 182 LYS H H 182 7.758 7.758 7.516 0.242 19413 15582 1 18 . 1 1 183 183 GLN N N 183 116.269 116.269 118.367 -2.098 19413 15583 1 18 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.943 0.042 19413 15584 1 18 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.707 0.576 19413 15585 1 18 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.595 0.729 19413 15586 1 18 . 1 1 183 183 GLN H H 183 8.114 8.114 8.044 0.070 19413 15587 1 18 . 1 1 184 184 LEU N N 184 119.688 119.688 117.837 1.851 19413 15588 1 18 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.857 -0.222 19413 15589 1 18 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.204 0.837 19413 15590 1 18 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.804 0.256 19413 15591 1 18 . 1 1 184 184 LEU H H 184 8.000 8.000 7.369 0.631 19413 15592 1 18 . 1 1 185 185 VAL N N 185 121.017 121.017 116.358 4.659 19413 15593 1 18 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.848 -0.336 19413 15594 1 18 . 1 1 185 185 VAL CA C 185 65.742 65.742 64.801 0.941 19413 15595 1 18 . 1 1 185 185 VAL CB C 185 31.564 31.564 32.003 -0.439 19413 15596 1 18 . 1 1 185 185 VAL H H 185 8.494 8.494 7.737 0.757 19413 15597 1 18 . 1 1 186 186 GLU N N 186 117.535 117.535 117.198 0.337 19413 15598 1 18 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.392 -0.272 19413 15599 1 18 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.563 0.596 19413 15600 1 18 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.477 -0.688 19413 15601 1 18 . 1 1 186 186 GLU H H 186 7.541 7.541 7.569 -0.028 19413 15602 1 18 . 1 1 187 187 LYS N N 187 121.929 121.929 120.978 0.951 19413 15603 1 18 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.409 -0.283 19413 15604 1 18 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.389 2.359 19413 15605 1 18 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.867 0.850 19413 15606 1 18 . 1 1 187 187 LYS H H 187 7.358 7.358 7.466 -0.108 19413 15607 1 19 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.817 -0.046 19413 15608 1 19 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.557 -0.269 19413 15609 1 19 . 1 1 0 0 ASN CB C 0 38.921 38.921 37.613 1.308 19413 15610 1 19 . 1 1 1 1 ALA N N 1 125.275 125.275 123.965 1.310 19413 15611 1 19 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.485 -0.166 19413 15612 1 19 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.482 -0.449 19413 15613 1 19 . 1 1 1 1 ALA CB C 1 19.124 19.124 19.988 -0.864 19413 15614 1 19 . 1 1 1 1 ALA H H 1 8.441 8.441 8.388 0.053 19413 15615 1 19 . 1 1 2 2 GLN N N 2 121.120 121.120 118.320 2.800 19413 15616 1 19 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.630 -0.151 19413 15617 1 19 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.540 -0.127 19413 15618 1 19 . 1 1 2 2 GLN CB C 2 29.494 29.494 32.102 -2.608 19413 15619 1 19 . 1 1 2 2 GLN H H 2 8.334 8.334 7.831 0.503 19413 15620 1 19 . 1 1 3 3 ILE N N 3 120.380 120.380 120.203 0.177 19413 15621 1 19 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.807 -0.396 19413 15622 1 19 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.364 1.429 19413 15623 1 19 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.701 -1.010 19413 15624 1 19 . 1 1 3 3 ILE H H 3 8.197 8.197 8.285 -0.088 19413 15625 1 19 . 1 1 4 4 THR N N 4 120.223 120.223 118.994 1.229 19413 15626 1 19 . 1 1 4 4 THR HA H 4 4.566 4.566 4.692 -0.126 19413 15627 1 19 . 1 1 4 4 THR CA C 4 61.500 61.500 61.368 0.132 19413 15628 1 19 . 1 1 4 4 THR CB C 4 71.727 71.727 71.341 0.386 19413 15629 1 19 . 1 1 4 4 THR H H 4 9.119 9.119 8.467 0.652 19413 15630 1 19 . 1 1 5 5 ASP N N 5 128.193 128.193 123.730 4.463 19413 15631 1 19 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.250 -0.104 19413 15632 1 19 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.489 0.861 19413 15633 1 19 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.630 0.371 19413 15634 1 19 . 1 1 5 5 ASP H H 5 8.510 8.510 8.498 0.012 19413 15635 1 19 . 1 1 6 6 GLY N N 6 117.400 117.400 111.473 5.927 19413 15636 1 19 . 1 1 6 6 GLY CA C 6 44.982 44.982 46.232 -1.250 19413 15637 1 19 . 1 1 6 6 GLY H H 6 8.608 8.608 8.556 0.052 19413 15638 1 19 . 1 1 7 7 LYS N N 7 122.122 122.122 121.706 0.416 19413 15639 1 19 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.206 0.396 19413 15640 1 19 . 1 1 7 7 LYS CA C 7 56.664 56.664 58.192 -1.528 19413 15641 1 19 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.254 -1.491 19413 15642 1 19 . 1 1 7 7 LYS H H 7 8.131 8.131 7.314 0.817 19413 15643 1 19 . 1 1 8 8 GLN N N 8 115.920 115.920 112.702 3.218 19413 15644 1 19 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.937 -0.808 19413 15645 1 19 . 1 1 8 8 GLN CA C 8 59.067 59.067 55.277 3.790 19413 15646 1 19 . 1 1 8 8 GLN CB C 8 27.086 27.086 31.646 -4.560 19413 15647 1 19 . 1 1 8 8 GLN H H 8 8.548 8.548 7.734 0.814 19413 15648 1 19 . 1 1 9 9 TYR N N 9 112.118 112.118 116.848 -4.730 19413 15649 1 19 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.495 -0.377 19413 15650 1 19 . 1 1 9 9 TYR CA C 9 54.738 54.738 56.090 -1.352 19413 15651 1 19 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.434 -0.257 19413 15652 1 19 . 1 1 9 9 TYR H H 9 7.572 7.572 7.576 -0.004 19413 15653 1 19 . 1 1 10 10 ILE N N 10 119.488 119.488 118.356 1.132 19413 15654 1 19 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.480 0.101 19413 15655 1 19 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.576 0.422 19413 15656 1 19 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.531 0.472 19413 15657 1 19 . 1 1 10 10 ILE H H 10 9.365 9.365 9.187 0.178 19413 15658 1 19 . 1 1 11 11 THR N N 11 126.054 126.054 117.429 8.625 19413 15659 1 19 . 1 1 11 11 THR HA H 11 4.837 4.837 5.201 -0.364 19413 15660 1 19 . 1 1 11 11 THR CA C 11 63.376 63.376 61.463 1.913 19413 15661 1 19 . 1 1 11 11 THR CB C 11 68.487 68.487 70.071 -1.584 19413 15662 1 19 . 1 1 11 11 THR H H 11 9.153 9.153 8.206 0.947 19413 15663 1 19 . 1 1 12 12 LEU N N 12 129.370 129.370 121.878 7.492 19413 15664 1 19 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.619 -0.369 19413 15665 1 19 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.172 1.115 19413 15666 1 19 . 1 1 12 12 LEU CB C 12 41.506 41.506 44.289 -2.783 19413 15667 1 19 . 1 1 12 12 LEU H H 12 8.636 8.636 8.427 0.209 19413 15668 1 19 . 1 1 13 13 ASP N N 13 122.179 122.179 124.293 -2.114 19413 15669 1 19 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.414 0.024 19413 15670 1 19 . 1 1 13 13 ASP CA C 13 55.724 55.724 56.164 -0.440 19413 15671 1 19 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.216 -0.331 19413 15672 1 19 . 1 1 13 13 ASP H H 13 8.494 8.494 8.621 -0.127 19413 15673 1 19 . 1 1 14 14 LYS N N 14 119.361 119.361 119.404 -0.043 19413 15674 1 19 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.589 0.173 19413 15675 1 19 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.194 -0.707 19413 15676 1 19 . 1 1 14 14 LYS CB C 14 32.903 32.903 32.032 0.871 19413 15677 1 19 . 1 1 14 14 LYS H H 14 7.714 7.714 7.947 -0.233 19413 15678 1 19 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.430 0.173 19413 15679 1 19 . 1 1 15 15 PRO CA C 15 62.261 62.261 63.211 -0.950 19413 15680 1 19 . 1 1 15 15 PRO CB C 15 32.697 32.697 32.316 0.381 19413 15681 1 19 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.175 0.187 19413 15682 1 19 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.095 -1.519 19413 15683 1 19 . 1 1 16 16 ILE CB C 16 38.242 38.242 38.602 -0.360 19413 15684 1 19 . 1 1 17 17 ALA N N 17 130.287 130.287 130.585 -0.298 19413 15685 1 19 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.617 -0.269 19413 15686 1 19 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.045 -0.394 19413 15687 1 19 . 1 1 17 17 ALA CB C 17 19.344 19.344 20.124 -0.780 19413 15688 1 19 . 1 1 17 17 ALA H H 17 8.396 8.396 8.449 -0.053 19413 15689 1 19 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.432 -0.214 19413 15690 1 19 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.336 0.065 19413 15691 1 19 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.716 0.676 19413 15692 1 19 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.717 -1.039 19413 15693 1 19 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.735 0.303 19413 15694 1 19 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.792 -1.826 19413 15695 1 19 . 1 1 23 23 LEU CB C 23 46.113 46.113 45.675 0.438 19413 15696 1 19 . 1 1 24 24 GLU N N 24 127.720 127.720 118.149 9.571 19413 15697 1 19 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.036 0.569 19413 15698 1 19 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.575 -1.137 19413 15699 1 19 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.164 0.540 19413 15700 1 19 . 1 1 24 24 GLU H H 24 8.973 8.973 8.551 0.422 19413 15701 1 19 . 1 1 25 25 PHE N N 25 121.108 121.108 119.174 1.934 19413 15702 1 19 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.801 0.265 19413 15703 1 19 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.725 -0.780 19413 15704 1 19 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.321 0.685 19413 15705 1 19 . 1 1 25 25 PHE H H 25 9.266 9.266 8.838 0.428 19413 15706 1 19 . 1 1 26 26 PHE N N 26 120.125 120.125 118.813 1.312 19413 15707 1 19 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.995 -0.214 19413 15708 1 19 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.491 -1.653 19413 15709 1 19 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.275 2.329 19413 15710 1 19 . 1 1 26 26 PHE H H 26 8.957 8.957 8.790 0.167 19413 15711 1 19 . 1 1 27 27 SER N N 27 109.643 109.643 113.712 -4.069 19413 15712 1 19 . 1 1 27 27 SER HA H 27 3.584 3.584 3.947 -0.363 19413 15713 1 19 . 1 1 27 27 SER CA C 27 54.556 54.556 55.192 -0.636 19413 15714 1 19 . 1 1 27 27 SER CB C 27 64.711 64.711 65.346 -0.635 19413 15715 1 19 . 1 1 27 27 SER H H 27 6.543 6.543 7.979 -1.436 19413 15716 1 19 . 1 1 28 28 PHE N N 28 132.096 132.096 117.930 14.166 19413 15717 1 19 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.818 0.549 19413 15718 1 19 . 1 1 28 28 PHE CA C 28 62.530 62.530 58.932 3.598 19413 15719 1 19 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.926 -0.283 19413 15720 1 19 . 1 1 28 28 PHE H H 28 11.199 11.199 8.293 2.906 19413 15721 1 19 . 1 1 29 29 TYR N N 29 115.582 115.582 115.770 -0.188 19413 15722 1 19 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.453 -0.084 19413 15723 1 19 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.324 1.521 19413 15724 1 19 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.751 1.030 19413 15725 1 19 . 1 1 29 29 TYR H H 29 8.619 8.619 7.584 1.035 19413 15726 1 19 . 1 1 30 30 CYS N N 30 121.025 121.025 117.827 3.198 19413 15727 1 19 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.742 0.264 19413 15728 1 19 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.435 -2.976 19413 15729 1 19 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.657 18.721 19413 15730 1 19 . 1 1 30 30 CYS H H 30 7.284 7.284 7.552 -0.268 19413 15731 1 19 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.448 0.629 19413 15732 1 19 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.965 1.008 19413 15733 1 19 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.205 0.003 19413 15734 1 19 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.283 0.321 19413 15735 1 19 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.263 -1.815 19413 15736 1 19 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.735 1.319 19413 15737 1 19 . 1 1 33 33 CYS N N 33 117.365 117.365 117.310 0.055 19413 15738 1 19 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.215 0.324 19413 15739 1 19 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.864 0.328 19413 15740 1 19 . 1 1 33 33 CYS CB C 33 33.843 33.843 26.025 7.818 19413 15741 1 19 . 1 1 33 33 CYS H H 33 8.921 8.921 8.755 0.166 19413 15742 1 19 . 1 1 34 34 TYR N N 34 123.491 123.491 121.344 2.147 19413 15743 1 19 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.252 -1.490 19413 15744 1 19 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.334 -1.901 19413 15745 1 19 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.520 -1.034 19413 15746 1 19 . 1 1 34 34 TYR H H 34 7.650 7.650 7.773 -0.123 19413 15747 1 19 . 1 1 35 35 GLN N N 35 118.639 118.639 117.384 1.255 19413 15748 1 19 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.893 -0.181 19413 15749 1 19 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.800 -0.390 19413 15750 1 19 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.459 -0.525 19413 15751 1 19 . 1 1 35 35 GLN H H 35 7.641 7.641 7.967 -0.326 19413 15752 1 19 . 1 1 36 36 PHE N N 36 121.254 121.254 116.520 4.734 19413 15753 1 19 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.269 -0.239 19413 15754 1 19 . 1 1 36 36 PHE CA C 36 60.801 60.801 59.407 1.393 19413 15755 1 19 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.351 0.568 19413 15756 1 19 . 1 1 36 36 PHE H H 36 8.721 8.721 8.981 -0.260 19413 15757 1 19 . 1 1 37 37 GLU N N 37 116.279 116.279 115.507 0.772 19413 15758 1 19 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.354 -0.027 19413 15759 1 19 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.296 1.488 19413 15760 1 19 . 1 1 37 37 GLU CB C 37 30.856 30.856 31.457 -0.601 19413 15761 1 19 . 1 1 37 37 GLU H H 37 7.705 7.705 7.585 0.120 19413 15762 1 19 . 1 1 38 38 GLU N N 38 112.285 112.285 116.471 -4.186 19413 15763 1 19 . 1 1 38 38 GLU HA H 38 4.006 4.006 4.038 -0.032 19413 15764 1 19 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.491 -0.913 19413 15765 1 19 . 1 1 38 38 GLU CB C 38 29.783 29.783 32.088 -2.305 19413 15766 1 19 . 1 1 38 38 GLU H H 38 7.870 7.870 8.063 -0.193 19413 15767 1 19 . 1 1 39 39 VAL N N 39 117.365 117.365 117.715 -0.350 19413 15768 1 19 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.072 -0.064 19413 15769 1 19 . 1 1 39 39 VAL CA C 39 63.965 63.965 62.505 1.460 19413 15770 1 19 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.854 -0.494 19413 15771 1 19 . 1 1 39 39 VAL H H 39 6.850 6.850 7.653 -0.803 19413 15772 1 19 . 1 1 40 40 LEU N N 40 116.098 116.098 117.434 -1.336 19413 15773 1 19 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.019 0.074 19413 15774 1 19 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.983 -0.884 19413 15775 1 19 . 1 1 40 40 LEU CB C 40 43.113 43.113 41.862 1.251 19413 15776 1 19 . 1 1 40 40 LEU H H 40 8.171 8.171 7.847 0.324 19413 15777 1 19 . 1 1 41 41 HIS N N 41 111.930 111.930 114.191 -2.261 19413 15778 1 19 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.261 0.245 19413 15779 1 19 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.943 -1.476 19413 15780 1 19 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.889 -1.286 19413 15781 1 19 . 1 1 41 41 HIS H H 41 6.459 6.459 7.408 -0.949 19413 15782 1 19 . 1 1 42 42 VAL N N 42 120.465 120.465 120.481 -0.016 19413 15783 1 19 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.468 -0.440 19413 15784 1 19 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.489 1.483 19413 15785 1 19 . 1 1 42 42 VAL CB C 42 30.886 30.886 30.642 0.244 19413 15786 1 19 . 1 1 42 42 VAL H H 42 8.621 8.621 8.015 0.606 19413 15787 1 19 . 1 1 43 43 SER N N 43 113.968 113.968 115.240 -1.272 19413 15788 1 19 . 1 1 43 43 SER HA H 43 4.002 4.002 3.971 0.031 19413 15789 1 19 . 1 1 43 43 SER CA C 43 61.242 61.242 62.147 -0.905 19413 15790 1 19 . 1 1 43 43 SER CB C 43 62.565 62.565 62.814 -0.249 19413 15791 1 19 . 1 1 43 43 SER H H 43 8.040 8.040 7.892 0.148 19413 15792 1 19 . 1 1 44 44 ASP N N 44 121.731 121.731 121.732 -0.001 19413 15793 1 19 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.422 -0.008 19413 15794 1 19 . 1 1 44 44 ASP CA C 44 57.232 57.232 56.567 0.665 19413 15795 1 19 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.879 0.153 19413 15796 1 19 . 1 1 44 44 ASP H H 44 8.215 8.215 7.731 0.484 19413 15797 1 19 . 1 1 45 45 ASN N N 45 118.906 118.906 118.268 0.638 19413 15798 1 19 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.388 -0.116 19413 15799 1 19 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.173 1.149 19413 15800 1 19 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.845 0.782 19413 15801 1 19 . 1 1 45 45 ASN H H 45 7.860 7.860 8.105 -0.245 19413 15802 1 19 . 1 1 46 46 VAL N N 46 119.934 119.934 119.006 0.928 19413 15803 1 19 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.699 -0.234 19413 15804 1 19 . 1 1 46 46 VAL CA C 46 66.801 66.801 65.791 1.010 19413 15805 1 19 . 1 1 46 46 VAL CB C 46 31.349 31.349 30.846 0.503 19413 15806 1 19 . 1 1 46 46 VAL H H 46 8.583 8.583 8.524 0.059 19413 15807 1 19 . 1 1 47 47 ARG N N 47 119.655 119.655 119.650 0.005 19413 15808 1 19 . 1 1 47 47 ARG HA H 47 3.821 3.821 4.028 -0.207 19413 15809 1 19 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.083 0.719 19413 15810 1 19 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.330 1.008 19413 15811 1 19 . 1 1 47 47 ARG H H 47 8.522 8.522 7.939 0.583 19413 15812 1 19 . 1 1 48 48 GLN N N 48 115.072 115.072 117.837 -2.765 19413 15813 1 19 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.207 -0.089 19413 15814 1 19 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.071 -0.342 19413 15815 1 19 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.919 0.091 19413 15816 1 19 . 1 1 48 48 GLN H H 48 7.605 7.605 7.713 -0.108 19413 15817 1 19 . 1 1 49 49 LYS N N 49 116.858 116.858 116.028 0.830 19413 15818 1 19 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.468 -0.046 19413 15819 1 19 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.453 -0.647 19413 15820 1 19 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.005 -0.357 19413 15821 1 19 . 1 1 49 49 LYS H H 49 7.460 7.460 7.979 -0.519 19413 15822 1 19 . 1 1 50 50 LEU N N 50 119.786 119.786 123.658 -3.872 19413 15823 1 19 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.345 0.054 19413 15824 1 19 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.502 -0.574 19413 15825 1 19 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.806 -0.852 19413 15826 1 19 . 1 1 50 50 LEU H H 50 7.215 7.215 7.368 -0.153 19413 15827 1 19 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.571 -0.095 19413 15828 1 19 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.094 0.178 19413 15829 1 19 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.644 -1.190 19413 15830 1 19 . 1 1 52 52 GLU N N 52 126.400 126.400 120.683 5.717 19413 15831 1 19 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.118 -0.018 19413 15832 1 19 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.142 0.973 19413 15833 1 19 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.667 0.669 19413 15834 1 19 . 1 1 52 52 GLU H H 52 8.935 8.935 8.661 0.274 19413 15835 1 19 . 1 1 53 53 GLY N N 53 113.671 113.671 113.689 -0.018 19413 15836 1 19 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.535 -0.689 19413 15837 1 19 . 1 1 53 53 GLY H H 53 8.948 8.948 8.539 0.409 19413 15838 1 19 . 1 1 54 54 THR N N 54 118.129 118.129 117.036 1.093 19413 15839 1 19 . 1 1 54 54 THR HA H 54 4.161 4.161 3.987 0.174 19413 15840 1 19 . 1 1 54 54 THR CA C 54 63.707 63.707 64.749 -1.042 19413 15841 1 19 . 1 1 54 54 THR CB C 54 68.784 68.784 68.966 -0.182 19413 15842 1 19 . 1 1 54 54 THR H H 54 7.696 7.696 7.681 0.015 19413 15843 1 19 . 1 1 55 55 LYS N N 55 129.892 129.892 119.922 9.970 19413 15844 1 19 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.028 0.347 19413 15845 1 19 . 1 1 55 55 LYS CA C 55 55.835 55.835 57.105 -1.270 19413 15846 1 19 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.928 0.520 19413 15847 1 19 . 1 1 55 55 LYS H H 55 8.757 8.757 8.288 0.469 19413 15848 1 19 . 1 1 56 56 MET N N 56 125.391 125.391 126.619 -1.228 19413 15849 1 19 . 1 1 56 56 MET HA H 56 5.258 5.258 4.493 0.765 19413 15850 1 19 . 1 1 56 56 MET CA C 56 54.436 54.436 56.280 -1.844 19413 15851 1 19 . 1 1 56 56 MET CB C 56 34.394 34.394 32.697 1.696 19413 15852 1 19 . 1 1 56 56 MET H H 56 8.512 8.512 8.733 -0.221 19413 15853 1 19 . 1 1 57 57 THR N N 57 124.711 124.711 123.295 1.416 19413 15854 1 19 . 1 1 57 57 THR HA H 57 4.390 4.390 4.597 -0.207 19413 15855 1 19 . 1 1 57 57 THR CA C 57 61.942 61.942 61.804 0.138 19413 15856 1 19 . 1 1 57 57 THR CB C 57 70.952 70.952 70.002 0.950 19413 15857 1 19 . 1 1 57 57 THR H H 57 8.830 8.830 8.530 0.300 19413 15858 1 19 . 1 1 58 58 LYS N N 58 126.113 126.113 128.057 -1.944 19413 15859 1 19 . 1 1 58 58 LYS HA H 58 5.282 5.282 5.240 0.042 19413 15860 1 19 . 1 1 58 58 LYS CA C 58 54.501 54.501 55.506 -1.005 19413 15861 1 19 . 1 1 58 58 LYS CB C 58 35.417 35.417 35.074 0.343 19413 15862 1 19 . 1 1 58 58 LYS H H 58 8.739 8.739 8.856 -0.117 19413 15863 1 19 . 1 1 59 59 TYR N N 59 127.472 127.472 125.140 2.332 19413 15864 1 19 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.809 0.817 19413 15865 1 19 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.364 -3.539 19413 15866 1 19 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.163 0.522 19413 15867 1 19 . 1 1 59 59 TYR H H 59 9.524 9.524 8.808 0.716 19413 15868 1 19 . 1 1 60 60 HIS N N 60 123.656 123.656 117.348 6.308 19413 15869 1 19 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.426 -0.042 19413 15870 1 19 . 1 1 60 60 HIS CA C 60 55.467 55.467 54.832 0.635 19413 15871 1 19 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.078 -0.259 19413 15872 1 19 . 1 1 60 60 HIS H H 60 9.284 9.284 7.969 1.315 19413 15873 1 19 . 1 1 61 61 VAL N N 61 112.397 112.397 113.692 -1.295 19413 15874 1 19 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.610 0.127 19413 15875 1 19 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.389 -1.310 19413 15876 1 19 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.125 -1.240 19413 15877 1 19 . 1 1 61 61 VAL H H 61 6.262 6.262 8.098 -1.836 19413 15878 1 19 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.453 -0.412 19413 15879 1 19 . 1 1 62 62 GLU CA C 62 56.328 56.328 57.811 -1.483 19413 15880 1 19 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.727 0.026 19413 15881 1 19 . 1 1 63 63 PHE N N 63 111.215 111.215 119.292 -8.077 19413 15882 1 19 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.343 0.228 19413 15883 1 19 . 1 1 63 63 PHE CA C 63 57.709 57.709 58.784 -1.075 19413 15884 1 19 . 1 1 63 63 PHE CB C 63 37.605 37.605 38.777 -1.172 19413 15885 1 19 . 1 1 63 63 PHE H H 63 6.419 6.419 8.343 -1.924 19413 15886 1 19 . 1 1 64 64 LEU N N 64 119.701 119.701 120.422 -0.721 19413 15887 1 19 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.392 0.303 19413 15888 1 19 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.239 -0.427 19413 15889 1 19 . 1 1 64 64 LEU CB C 64 44.338 44.338 44.210 0.128 19413 15890 1 19 . 1 1 64 64 LEU H H 64 6.396 6.396 7.528 -1.132 19413 15891 1 19 . 1 1 65 65 GLY N N 65 108.957 108.957 109.836 -0.879 19413 15892 1 19 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.708 -0.530 19413 15893 1 19 . 1 1 65 65 GLY H H 65 8.084 8.084 7.922 0.162 19413 15894 1 19 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.269 0.142 19413 15895 1 19 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.330 0.665 19413 15896 1 19 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.113 -0.322 19413 15897 1 19 . 1 1 67 67 LEU N N 67 114.479 114.479 118.427 -3.948 19413 15898 1 19 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.845 0.622 19413 15899 1 19 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.135 -1.242 19413 15900 1 19 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.755 -0.317 19413 15901 1 19 . 1 1 67 67 LEU H H 67 7.484 7.484 8.042 -0.558 19413 15902 1 19 . 1 1 68 68 GLY N N 68 108.957 108.957 109.650 -0.693 19413 15903 1 19 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.395 2.112 19413 15904 1 19 . 1 1 68 68 GLY H H 68 7.659 7.659 7.814 -0.155 19413 15905 1 19 . 1 1 69 69 LYS N N 69 124.459 124.459 121.651 2.808 19413 15906 1 19 . 1 1 69 69 LYS HA H 69 4.046 4.046 3.981 0.065 19413 15907 1 19 . 1 1 69 69 LYS CA C 69 61.036 61.036 59.193 1.843 19413 15908 1 19 . 1 1 69 69 LYS CB C 69 31.592 31.592 31.977 -0.385 19413 15909 1 19 . 1 1 69 69 LYS H H 69 9.149 9.149 8.191 0.958 19413 15910 1 19 . 1 1 70 70 ASP N N 70 122.631 122.631 119.413 3.218 19413 15911 1 19 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.519 0.196 19413 15912 1 19 . 1 1 70 70 ASP CA C 70 57.895 57.895 58.283 -0.388 19413 15913 1 19 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.377 1.780 19413 15914 1 19 . 1 1 70 70 ASP H H 70 8.519 8.519 8.354 0.165 19413 15915 1 19 . 1 1 71 71 LEU N N 71 119.276 119.276 120.456 -1.180 19413 15916 1 19 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.909 0.328 19413 15917 1 19 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.374 -1.097 19413 15918 1 19 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.620 1.458 19413 15919 1 19 . 1 1 71 71 LEU H H 71 9.421 9.421 8.418 1.003 19413 15920 1 19 . 1 1 72 72 THR N N 72 119.204 119.204 115.147 4.057 19413 15921 1 19 . 1 1 72 72 THR HA H 72 4.033 4.033 3.631 0.402 19413 15922 1 19 . 1 1 72 72 THR CA C 72 67.403 67.403 67.100 0.303 19413 15923 1 19 . 1 1 72 72 THR CB C 72 68.170 68.170 68.362 -0.192 19413 15924 1 19 . 1 1 72 72 THR H H 72 7.762 7.762 8.090 -0.328 19413 15925 1 19 . 1 1 73 73 GLN N N 73 125.845 125.845 120.962 4.883 19413 15926 1 19 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.759 -0.096 19413 15927 1 19 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.580 0.823 19413 15928 1 19 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.279 -2.720 19413 15929 1 19 . 1 1 73 73 GLN H H 73 7.822 7.822 8.073 -0.251 19413 15930 1 19 . 1 1 74 74 ALA N N 74 123.013 123.013 123.127 -0.114 19413 15931 1 19 . 1 1 74 74 ALA HA H 74 4.133 4.133 3.998 0.135 19413 15932 1 19 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.113 -0.209 19413 15933 1 19 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.203 0.947 19413 15934 1 19 . 1 1 74 74 ALA H H 74 8.966 8.966 7.959 1.007 19413 15935 1 19 . 1 1 75 75 TRP N N 75 120.717 120.717 119.838 0.879 19413 15936 1 19 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.522 0.377 19413 15937 1 19 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.414 -1.342 19413 15938 1 19 . 1 1 75 75 TRP CB C 75 29.591 29.591 30.093 -0.502 19413 15939 1 19 . 1 1 75 75 TRP H H 75 8.932 8.932 8.644 0.288 19413 15940 1 19 . 1 1 76 76 ALA N N 76 119.394 119.394 121.022 -1.628 19413 15941 1 19 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.998 -0.023 19413 15942 1 19 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.119 -0.241 19413 15943 1 19 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.178 1.987 19413 15944 1 19 . 1 1 76 76 ALA H H 76 7.650 7.650 7.852 -0.202 19413 15945 1 19 . 1 1 77 77 VAL N N 77 119.658 119.658 120.359 -0.701 19413 15946 1 19 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.626 -0.402 19413 15947 1 19 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.740 0.168 19413 15948 1 19 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.451 -1.334 19413 15949 1 19 . 1 1 77 77 VAL H H 77 8.074 8.074 7.583 0.491 19413 15950 1 19 . 1 1 78 78 ALA N N 78 121.951 121.951 121.892 0.059 19413 15951 1 19 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.202 -0.178 19413 15952 1 19 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.058 -0.217 19413 15953 1 19 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.098 -0.599 19413 15954 1 19 . 1 1 78 78 ALA H H 78 8.421 8.421 7.623 0.798 19413 15955 1 19 . 1 1 79 79 ILE N N 79 118.384 118.384 118.915 -0.531 19413 15956 1 19 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.546 0.070 19413 15957 1 19 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.744 -0.760 19413 15958 1 19 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.710 0.486 19413 15959 1 19 . 1 1 79 79 ILE H H 79 8.122 8.122 8.094 0.028 19413 15960 1 19 . 1 1 80 80 ALA N N 80 124.708 124.708 121.674 3.034 19413 15961 1 19 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.115 -0.137 19413 15962 1 19 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.737 0.178 19413 15963 1 19 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.956 -0.851 19413 15964 1 19 . 1 1 80 80 ALA H H 80 8.694 8.694 7.869 0.825 19413 15965 1 19 . 1 1 81 81 LEU N N 81 114.303 114.303 117.074 -2.771 19413 15966 1 19 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.361 0.019 19413 15967 1 19 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.725 -0.143 19413 15968 1 19 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.388 0.824 19413 15969 1 19 . 1 1 81 81 LEU H H 81 8.469 8.469 8.111 0.358 19413 15970 1 19 . 1 1 82 82 GLY N N 82 112.196 112.196 108.523 3.673 19413 15971 1 19 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.714 1.244 19413 15972 1 19 . 1 1 82 82 GLY H H 82 7.955 7.955 7.380 0.575 19413 15973 1 19 . 1 1 83 83 VAL N N 83 109.426 109.426 112.420 -2.994 19413 15974 1 19 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.511 0.410 19413 15975 1 19 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.921 -1.739 19413 15976 1 19 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.256 -0.815 19413 15977 1 19 . 1 1 83 83 VAL H H 83 8.267 8.267 8.159 0.108 19413 15978 1 19 . 1 1 84 84 GLU N N 84 127.081 127.081 124.521 2.560 19413 15979 1 19 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.867 -0.283 19413 15980 1 19 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.660 0.696 19413 15981 1 19 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.699 0.271 19413 15982 1 19 . 1 1 84 84 GLU H H 84 10.566 10.566 8.331 2.235 19413 15983 1 19 . 1 1 85 85 ASP N N 85 117.467 117.467 114.740 2.727 19413 15984 1 19 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.616 -0.029 19413 15985 1 19 . 1 1 85 85 ASP CA C 85 56.279 56.279 55.287 0.992 19413 15986 1 19 . 1 1 85 85 ASP CB C 85 39.732 39.732 39.634 0.098 19413 15987 1 19 . 1 1 85 85 ASP H H 85 8.946 8.946 8.750 0.196 19413 15988 1 19 . 1 1 86 86 LYS N N 86 119.121 119.121 116.719 2.402 19413 15989 1 19 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.391 0.028 19413 15990 1 19 . 1 1 86 86 LYS CA C 86 57.179 57.179 56.622 0.557 19413 15991 1 19 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.840 -0.414 19413 15992 1 19 . 1 1 86 86 LYS H H 86 7.745 7.745 8.026 -0.281 19413 15993 1 19 . 1 1 87 87 ILE N N 87 108.193 108.193 112.262 -4.069 19413 15994 1 19 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.491 -0.253 19413 15995 1 19 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.618 -1.298 19413 15996 1 19 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.800 1.200 19413 15997 1 19 . 1 1 87 87 ILE H H 87 7.343 7.343 7.500 -0.157 19413 15998 1 19 . 1 1 88 88 THR N N 88 119.455 119.455 117.497 1.958 19413 15999 1 19 . 1 1 88 88 THR HA H 88 4.053 4.053 4.532 -0.479 19413 16000 1 19 . 1 1 88 88 THR CA C 88 69.780 69.780 65.068 4.712 19413 16001 1 19 . 1 1 88 88 THR CB C 88 68.491 68.491 68.971 -0.480 19413 16002 1 19 . 1 1 88 88 THR H H 88 7.746 7.746 7.850 -0.104 19413 16003 1 19 . 1 1 89 89 ALA N N 89 123.122 123.122 124.976 -1.854 19413 16004 1 19 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.293 0.307 19413 16005 1 19 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.634 0.657 19413 16006 1 19 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.782 -1.585 19413 16007 1 19 . 1 1 89 89 ALA H H 89 9.125 9.125 8.691 0.434 19413 16008 1 19 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.406 0.010 19413 16009 1 19 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.285 -0.064 19413 16010 1 19 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.348 0.063 19413 16011 1 19 . 1 1 91 91 MET N N 91 119.468 119.468 119.450 0.018 19413 16012 1 19 . 1 1 91 91 MET HA H 91 4.370 4.370 4.256 0.114 19413 16013 1 19 . 1 1 91 91 MET CA C 91 56.901 56.901 58.488 -1.587 19413 16014 1 19 . 1 1 91 91 MET CB C 91 30.059 30.059 32.197 -2.138 19413 16015 1 19 . 1 1 91 91 MET H H 91 8.176 8.176 7.981 0.195 19413 16016 1 19 . 1 1 92 92 PHE N N 92 120.720 120.720 118.036 2.684 19413 16017 1 19 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.400 0.118 19413 16018 1 19 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.536 3.347 19413 16019 1 19 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.466 0.858 19413 16020 1 19 . 1 1 92 92 PHE H H 92 8.650 8.650 8.375 0.275 19413 16021 1 19 . 1 1 93 93 GLU N N 93 117.705 117.705 121.033 -3.328 19413 16022 1 19 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.108 -0.042 19413 16023 1 19 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.928 -0.525 19413 16024 1 19 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.871 -0.229 19413 16025 1 19 . 1 1 93 93 GLU H H 93 8.240 8.240 8.441 -0.201 19413 16026 1 19 . 1 1 94 94 ALA N N 94 123.067 123.067 120.402 2.665 19413 16027 1 19 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.819 -0.368 19413 16028 1 19 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.697 0.298 19413 16029 1 19 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.704 -0.701 19413 16030 1 19 . 1 1 94 94 ALA H H 94 8.431 8.431 8.144 0.287 19413 16031 1 19 . 1 1 95 95 VAL N N 95 115.582 115.582 118.493 -2.911 19413 16032 1 19 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.807 -0.085 19413 16033 1 19 . 1 1 95 95 VAL CA C 95 65.804 65.804 65.587 0.217 19413 16034 1 19 . 1 1 95 95 VAL CB C 95 31.739 31.739 31.942 -0.203 19413 16035 1 19 . 1 1 95 95 VAL H H 95 8.467 8.467 7.987 0.480 19413 16036 1 19 . 1 1 96 96 GLN N N 96 113.295 113.295 119.196 -5.901 19413 16037 1 19 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.204 0.347 19413 16038 1 19 . 1 1 96 96 GLN CA C 96 58.226 58.226 58.036 0.190 19413 16039 1 19 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.547 1.133 19413 16040 1 19 . 1 1 96 96 GLN H H 96 8.184 8.184 8.155 0.029 19413 16041 1 19 . 1 1 97 97 LYS N N 97 118.621 118.621 119.857 -1.236 19413 16042 1 19 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.112 0.575 19413 16043 1 19 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.782 -1.623 19413 16044 1 19 . 1 1 97 97 LYS CB C 97 32.542 32.542 32.946 -0.404 19413 16045 1 19 . 1 1 97 97 LYS H H 97 8.231 8.231 7.943 0.288 19413 16046 1 19 . 1 1 98 98 THR N N 98 110.486 110.486 108.629 1.857 19413 16047 1 19 . 1 1 98 98 THR HA H 98 4.285 4.285 4.336 -0.051 19413 16048 1 19 . 1 1 98 98 THR CA C 98 62.420 62.420 62.117 0.303 19413 16049 1 19 . 1 1 98 98 THR CB C 98 68.343 68.343 70.201 -1.858 19413 16050 1 19 . 1 1 98 98 THR H H 98 8.612 8.612 8.072 0.540 19413 16051 1 19 . 1 1 99 99 GLN N N 99 115.751 115.751 115.706 0.045 19413 16052 1 19 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.207 -0.022 19413 16053 1 19 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.004 -0.018 19413 16054 1 19 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.394 -0.771 19413 16055 1 19 . 1 1 99 99 GLN H H 99 6.979 6.979 8.339 -1.360 19413 16056 1 19 . 1 1 100 100 THR N N 100 108.660 108.660 112.067 -3.407 19413 16057 1 19 . 1 1 100 100 THR HA H 100 4.350 4.350 4.148 0.202 19413 16058 1 19 . 1 1 100 100 THR CA C 100 61.035 61.035 64.196 -3.161 19413 16059 1 19 . 1 1 100 100 THR CB C 100 68.306 68.306 69.180 -0.874 19413 16060 1 19 . 1 1 100 100 THR H H 100 8.362 8.362 7.618 0.744 19413 16061 1 19 . 1 1 101 101 VAL N N 101 121.417 121.417 121.716 -0.299 19413 16062 1 19 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.860 0.333 19413 16063 1 19 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.309 -2.342 19413 16064 1 19 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.267 1.082 19413 16065 1 19 . 1 1 101 101 VAL H H 101 7.376 7.376 7.878 -0.502 19413 16066 1 19 . 1 1 102 102 GLN N N 102 127.472 127.472 126.031 1.441 19413 16067 1 19 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.598 -0.034 19413 16068 1 19 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.952 -0.836 19413 16069 1 19 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.878 -1.110 19413 16070 1 19 . 1 1 102 102 GLN H H 102 9.583 9.583 9.124 0.459 19413 16071 1 19 . 1 1 103 103 SER N N 103 116.698 116.698 113.320 3.378 19413 16072 1 19 . 1 1 103 103 SER HA H 103 4.883 4.883 4.621 0.262 19413 16073 1 19 . 1 1 103 103 SER CA C 103 56.423 56.423 56.133 0.290 19413 16074 1 19 . 1 1 103 103 SER CB C 103 66.834 66.834 64.949 1.885 19413 16075 1 19 . 1 1 103 103 SER H H 103 8.539 8.539 8.637 -0.098 19413 16076 1 19 . 1 1 104 104 VAL N N 104 120.375 120.375 123.536 -3.161 19413 16077 1 19 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.675 0.065 19413 16078 1 19 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.126 -0.370 19413 16079 1 19 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.281 -0.352 19413 16080 1 19 . 1 1 104 104 VAL H H 104 8.929 8.929 8.825 0.104 19413 16081 1 19 . 1 1 105 105 ALA N N 105 125.255 125.255 120.706 4.549 19413 16082 1 19 . 1 1 105 105 ALA HA H 105 4.000 4.000 4.011 -0.011 19413 16083 1 19 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.706 0.200 19413 16084 1 19 . 1 1 105 105 ALA CB C 105 18.053 18.053 18.018 0.035 19413 16085 1 19 . 1 1 105 105 ALA H H 105 8.099 8.099 8.365 -0.266 19413 16086 1 19 . 1 1 106 106 ASP N N 106 118.317 118.317 117.612 0.705 19413 16087 1 19 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.621 -0.246 19413 16088 1 19 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.189 0.475 19413 16089 1 19 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.772 0.995 19413 16090 1 19 . 1 1 106 106 ASP H H 106 7.603 7.603 7.908 -0.305 19413 16091 1 19 . 1 1 107 107 ILE N N 107 120.210 120.210 120.651 -0.441 19413 16092 1 19 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.805 -0.474 19413 16093 1 19 . 1 1 107 107 ILE CA C 107 65.609 65.609 65.088 0.521 19413 16094 1 19 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.845 0.045 19413 16095 1 19 . 1 1 107 107 ILE H H 107 7.342 7.342 7.253 0.088 19413 16096 1 19 . 1 1 108 108 ARG N N 108 119.234 119.234 118.654 0.580 19413 16097 1 19 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.274 -0.477 19413 16098 1 19 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.994 -0.338 19413 16099 1 19 . 1 1 108 108 ARG CB C 108 29.842 29.842 29.217 0.625 19413 16100 1 19 . 1 1 108 108 ARG H H 108 6.677 6.677 8.360 -1.683 19413 16101 1 19 . 1 1 109 109 LYS N N 109 117.662 117.662 120.162 -2.500 19413 16102 1 19 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.049 -0.203 19413 16103 1 19 . 1 1 109 109 LYS CA C 109 59.219 59.219 58.533 0.686 19413 16104 1 19 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.570 0.404 19413 16105 1 19 . 1 1 109 109 LYS H H 109 7.164 7.164 7.213 -0.049 19413 16106 1 19 . 1 1 110 110 VAL N N 110 118.257 118.257 119.462 -1.205 19413 16107 1 19 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.583 0.058 19413 16108 1 19 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.431 -0.369 19413 16109 1 19 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.593 -0.368 19413 16110 1 19 . 1 1 110 110 VAL H H 110 7.269 7.269 7.397 -0.128 19413 16111 1 19 . 1 1 111 111 PHE N N 111 118.699 118.699 118.378 0.321 19413 16112 1 19 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.142 -0.232 19413 16113 1 19 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.573 -1.093 19413 16114 1 19 . 1 1 111 111 PHE CB C 111 38.423 38.423 37.764 0.659 19413 16115 1 19 . 1 1 111 111 PHE H H 111 7.411 7.411 7.759 -0.348 19413 16116 1 19 . 1 1 112 112 VAL N N 112 121.527 121.527 119.802 1.725 19413 16117 1 19 . 1 1 112 112 VAL HA H 112 4.611 4.611 4.016 0.595 19413 16118 1 19 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.722 -1.003 19413 16119 1 19 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.424 -0.053 19413 16120 1 19 . 1 1 112 112 VAL H H 112 8.424 8.424 7.420 1.004 19413 16121 1 19 . 1 1 113 113 ASP N N 113 124.032 124.032 120.987 3.045 19413 16122 1 19 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.476 -0.029 19413 16123 1 19 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.806 -0.128 19413 16124 1 19 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.383 -1.103 19413 16125 1 19 . 1 1 113 113 ASP H H 113 9.048 9.048 8.553 0.495 19413 16126 1 19 . 1 1 114 114 ALA N N 114 121.399 121.399 119.543 1.856 19413 16127 1 19 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.245 0.222 19413 16128 1 19 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.885 -1.007 19413 16129 1 19 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.506 -0.892 19413 16130 1 19 . 1 1 114 114 ALA H H 114 7.505 7.505 8.075 -0.570 19413 16131 1 19 . 1 1 115 115 GLY N N 115 105.755 105.755 106.146 -0.391 19413 16132 1 19 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.588 0.515 19413 16133 1 19 . 1 1 115 115 GLY H H 115 7.895 7.895 7.730 0.165 19413 16134 1 19 . 1 1 116 116 VAL N N 116 124.542 124.542 121.229 3.313 19413 16135 1 19 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.348 -0.328 19413 16136 1 19 . 1 1 116 116 VAL CA C 116 61.601 61.601 61.157 0.444 19413 16137 1 19 . 1 1 116 116 VAL CB C 116 31.739 31.739 34.241 -2.502 19413 16138 1 19 . 1 1 116 116 VAL H H 116 8.095 8.095 7.774 0.321 19413 16139 1 19 . 1 1 117 117 LYS N N 117 128.363 128.363 125.295 3.068 19413 16140 1 19 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.361 -0.178 19413 16141 1 19 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.001 0.084 19413 16142 1 19 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.279 -0.467 19413 16143 1 19 . 1 1 117 117 LYS H H 117 9.102 9.102 8.793 0.309 19413 16144 1 19 . 1 1 118 118 GLY N N 118 116.049 116.049 112.996 3.053 19413 16145 1 19 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.944 0.724 19413 16146 1 19 . 1 1 118 118 GLY H H 118 9.300 9.300 9.124 0.176 19413 16147 1 19 . 1 1 119 119 GLU N N 119 118.512 118.512 119.882 -1.370 19413 16148 1 19 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.160 0.066 19413 16149 1 19 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.775 0.748 19413 16150 1 19 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.527 -0.714 19413 16151 1 19 . 1 1 119 119 GLU H H 119 9.501 9.501 8.607 0.894 19413 16152 1 19 . 1 1 120 120 ASP N N 120 121.262 121.262 119.476 1.786 19413 16153 1 19 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.467 0.112 19413 16154 1 19 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.698 -0.139 19413 16155 1 19 . 1 1 120 120 ASP CB C 120 39.632 39.632 40.550 -0.918 19413 16156 1 19 . 1 1 120 120 ASP H H 120 7.088 7.088 8.256 -1.168 19413 16157 1 19 . 1 1 121 121 TYR N N 121 123.619 123.619 119.838 3.781 19413 16158 1 19 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.125 -0.403 19413 16159 1 19 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.209 -0.058 19413 16160 1 19 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.676 -0.674 19413 16161 1 19 . 1 1 121 121 TYR H H 121 7.986 7.986 8.367 -0.381 19413 16162 1 19 . 1 1 122 122 ASP N N 122 119.702 119.702 118.209 1.493 19413 16163 1 19 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.520 -0.266 19413 16164 1 19 . 1 1 122 122 ASP CA C 122 57.122 57.122 55.758 1.365 19413 16165 1 19 . 1 1 122 122 ASP CB C 122 39.611 39.611 41.138 -1.527 19413 16166 1 19 . 1 1 122 122 ASP H H 122 8.812 8.812 8.026 0.786 19413 16167 1 19 . 1 1 123 123 ALA N N 123 121.138 121.138 120.938 0.200 19413 16168 1 19 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.490 -0.264 19413 16169 1 19 . 1 1 123 123 ALA CA C 123 54.230 54.230 53.951 0.279 19413 16170 1 19 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.364 -1.238 19413 16171 1 19 . 1 1 123 123 ALA H H 123 7.696 7.696 7.567 0.129 19413 16172 1 19 . 1 1 124 124 ALA N N 124 120.299 120.299 122.235 -1.936 19413 16173 1 19 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.047 0.059 19413 16174 1 19 . 1 1 124 124 ALA CA C 124 54.326 54.326 55.001 -0.675 19413 16175 1 19 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.197 0.368 19413 16176 1 19 . 1 1 124 124 ALA H H 124 7.935 7.935 8.385 -0.450 19413 16177 1 19 . 1 1 125 125 TRP N N 125 121.357 121.357 119.414 1.943 19413 16178 1 19 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.205 -0.729 19413 16179 1 19 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.385 1.078 19413 16180 1 19 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.273 -0.896 19413 16181 1 19 . 1 1 125 125 TRP H H 125 8.948 8.948 7.736 1.212 19413 16182 1 19 . 1 1 126 126 ASN N N 126 110.817 110.817 112.776 -1.959 19413 16183 1 19 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.706 0.137 19413 16184 1 19 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.699 -0.177 19413 16185 1 19 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.440 0.630 19413 16186 1 19 . 1 1 126 126 ASN H H 126 7.024 7.024 7.871 -0.847 19413 16187 1 19 . 1 1 127 127 SER N N 127 116.650 116.650 115.361 1.289 19413 16188 1 19 . 1 1 127 127 SER HA H 127 4.472 4.472 4.490 -0.018 19413 16189 1 19 . 1 1 127 127 SER CA C 127 58.535 58.535 57.571 0.965 19413 16190 1 19 . 1 1 127 127 SER CB C 127 65.513 65.513 64.905 0.608 19413 16191 1 19 . 1 1 127 127 SER H H 127 7.831 7.831 7.802 0.029 19413 16192 1 19 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.295 -0.017 19413 16193 1 19 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.023 0.032 19413 16194 1 19 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.235 -0.867 19413 16195 1 19 . 1 1 129 129 VAL N N 129 120.058 120.058 118.534 1.524 19413 16196 1 19 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.740 -0.026 19413 16197 1 19 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.703 -1.031 19413 16198 1 19 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.081 0.697 19413 16199 1 19 . 1 1 129 129 VAL H H 129 8.340 8.340 7.690 0.650 19413 16200 1 19 . 1 1 130 130 VAL N N 130 122.552 122.552 119.336 3.216 19413 16201 1 19 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.549 -0.038 19413 16202 1 19 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.361 0.473 19413 16203 1 19 . 1 1 130 130 VAL CB C 130 31.224 31.224 30.834 0.390 19413 16204 1 19 . 1 1 130 130 VAL H H 130 7.163 7.163 7.602 -0.439 19413 16205 1 19 . 1 1 131 131 LYS N N 131 122.079 122.079 119.995 2.084 19413 16206 1 19 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.770 -0.014 19413 16207 1 19 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.145 0.589 19413 16208 1 19 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.151 0.367 19413 16209 1 19 . 1 1 131 131 LYS H H 131 7.852 7.852 7.371 0.481 19413 16210 1 19 . 1 1 132 132 SER N N 132 115.836 115.836 114.688 1.148 19413 16211 1 19 . 1 1 132 132 SER HA H 132 4.155 4.155 4.226 -0.071 19413 16212 1 19 . 1 1 132 132 SER CA C 132 61.022 61.022 60.889 0.133 19413 16213 1 19 . 1 1 132 132 SER CB C 132 62.309 62.309 63.037 -0.728 19413 16214 1 19 . 1 1 132 132 SER H H 132 8.258 8.258 8.111 0.147 19413 16215 1 19 . 1 1 133 133 LEU N N 133 124.754 124.754 122.558 2.196 19413 16216 1 19 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.871 0.326 19413 16217 1 19 . 1 1 133 133 LEU CA C 133 57.564 57.564 58.310 -0.746 19413 16218 1 19 . 1 1 133 133 LEU CB C 133 44.161 44.161 41.911 2.250 19413 16219 1 19 . 1 1 133 133 LEU H H 133 8.140 8.140 8.071 0.069 19413 16220 1 19 . 1 1 134 134 VAL N N 134 123.461 123.461 119.583 3.878 19413 16221 1 19 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.811 -0.530 19413 16222 1 19 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.637 2.220 19413 16223 1 19 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.144 -0.288 19413 16224 1 19 . 1 1 134 134 VAL H H 134 8.718 8.718 8.559 0.159 19413 16225 1 19 . 1 1 135 135 ALA N N 135 121.739 121.739 119.946 1.793 19413 16226 1 19 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.945 0.219 19413 16227 1 19 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.356 -0.427 19413 16228 1 19 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.101 -0.675 19413 16229 1 19 . 1 1 135 135 ALA H H 135 7.513 7.513 7.777 -0.264 19413 16230 1 19 . 1 1 136 136 GLN N N 136 119.033 119.033 116.397 2.636 19413 16231 1 19 . 1 1 136 136 GLN HA H 136 4.076 4.076 4.042 0.034 19413 16232 1 19 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.135 0.975 19413 16233 1 19 . 1 1 136 136 GLN CB C 136 29.085 29.085 27.935 1.150 19413 16234 1 19 . 1 1 136 136 GLN H H 136 8.473 8.473 7.912 0.561 19413 16235 1 19 . 1 1 137 137 GLN N N 137 119.734 119.734 118.873 0.861 19413 16236 1 19 . 1 1 137 137 GLN HA H 137 3.512 3.512 3.839 -0.327 19413 16237 1 19 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.518 1.364 19413 16238 1 19 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.525 2.318 19413 16239 1 19 . 1 1 137 137 GLN H H 137 7.995 7.995 7.565 0.430 19413 16240 1 19 . 1 1 138 138 GLU N N 138 121.309 121.309 119.477 1.832 19413 16241 1 19 . 1 1 138 138 GLU HA H 138 3.935 3.935 3.963 -0.028 19413 16242 1 19 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.616 -0.639 19413 16243 1 19 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.364 -0.399 19413 16244 1 19 . 1 1 138 138 GLU H H 138 8.291 8.291 8.538 -0.247 19413 16245 1 19 . 1 1 139 139 LYS N N 139 122.121 122.121 119.158 2.963 19413 16246 1 19 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.054 0.063 19413 16247 1 19 . 1 1 139 139 LYS CA C 139 58.924 58.924 59.422 -0.498 19413 16248 1 19 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.553 0.039 19413 16249 1 19 . 1 1 139 139 LYS H H 139 8.603 8.603 7.736 0.867 19413 16250 1 19 . 1 1 140 140 ALA N N 140 120.286 120.286 118.729 1.557 19413 16251 1 19 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.342 0.068 19413 16252 1 19 . 1 1 140 140 ALA CA C 140 55.063 55.063 53.969 1.094 19413 16253 1 19 . 1 1 140 140 ALA CB C 140 18.446 18.446 18.863 -0.417 19413 16254 1 19 . 1 1 140 140 ALA H H 140 8.140 8.140 7.792 0.348 19413 16255 1 19 . 1 1 141 141 ALA N N 141 116.994 116.994 117.130 -0.136 19413 16256 1 19 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.493 -0.845 19413 16257 1 19 . 1 1 141 141 ALA CA C 141 54.515 54.515 51.867 2.648 19413 16258 1 19 . 1 1 141 141 ALA CB C 141 18.001 18.001 20.319 -2.317 19413 16259 1 19 . 1 1 141 141 ALA H H 141 7.251 7.251 7.819 -0.568 19413 16260 1 19 . 1 1 142 142 ALA N N 142 121.272 121.272 120.505 0.767 19413 16261 1 19 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.499 -0.315 19413 16262 1 19 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.111 2.546 19413 16263 1 19 . 1 1 142 142 ALA CB C 142 18.217 18.217 20.070 -1.853 19413 16264 1 19 . 1 1 142 142 ALA H H 142 7.940 7.940 7.651 0.289 19413 16265 1 19 . 1 1 143 143 ASP N N 143 121.599 121.599 119.956 1.643 19413 16266 1 19 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.451 -0.115 19413 16267 1 19 . 1 1 143 143 ASP CA C 143 56.975 56.975 55.167 1.808 19413 16268 1 19 . 1 1 143 143 ASP CB C 143 40.035 40.035 40.879 -0.844 19413 16269 1 19 . 1 1 143 143 ASP H H 143 9.272 9.272 8.225 1.047 19413 16270 1 19 . 1 1 144 144 LEU HA H 144 4.111 4.111 3.878 0.233 19413 16271 1 19 . 1 1 144 144 LEU CA C 144 54.547 54.547 56.278 -1.731 19413 16272 1 19 . 1 1 144 144 LEU CB C 144 41.055 41.055 39.684 1.371 19413 16273 1 19 . 1 1 145 145 GLN N N 145 116.940 116.940 116.039 0.901 19413 16274 1 19 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.084 -0.332 19413 16275 1 19 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.930 -1.107 19413 16276 1 19 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.683 -2.551 19413 16277 1 19 . 1 1 145 145 GLN H H 145 7.750 7.750 8.118 -0.368 19413 16278 1 19 . 1 1 146 146 LEU N N 146 119.399 119.399 118.250 1.149 19413 16279 1 19 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.470 -0.584 19413 16280 1 19 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.667 0.646 19413 16281 1 19 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.059 0.083 19413 16282 1 19 . 1 1 146 146 LEU H H 146 7.516 7.516 7.399 0.117 19413 16283 1 19 . 1 1 147 147 GLN N N 147 123.118 123.118 122.265 0.853 19413 16284 1 19 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.352 -0.205 19413 16285 1 19 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.272 -0.404 19413 16286 1 19 . 1 1 147 147 GLN CB C 147 30.525 30.525 30.125 0.400 19413 16287 1 19 . 1 1 147 147 GLN H H 147 8.895 8.895 8.380 0.515 19413 16288 1 19 . 1 1 148 148 GLY N N 148 106.555 106.555 108.887 -2.332 19413 16289 1 19 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.279 0.826 19413 16290 1 19 . 1 1 148 148 GLY H H 148 7.275 7.275 7.926 -0.651 19413 16291 1 19 . 1 1 149 149 VAL N N 149 110.030 110.030 117.612 -7.582 19413 16292 1 19 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.489 -0.018 19413 16293 1 19 . 1 1 149 149 VAL CA C 149 57.637 57.637 59.033 -1.396 19413 16294 1 19 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.510 2.172 19413 16295 1 19 . 1 1 149 149 VAL H H 149 8.267 8.267 8.160 0.107 19413 16296 1 19 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.732 0.078 19413 16297 1 19 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.947 -0.803 19413 16298 1 19 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.505 2.421 19413 16299 1 19 . 1 1 151 151 ALA N N 151 123.567 123.567 122.545 1.022 19413 16300 1 19 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.746 0.139 19413 16301 1 19 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.503 0.122 19413 16302 1 19 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.811 2.036 19413 16303 1 19 . 1 1 151 151 ALA H H 151 8.249 8.249 8.879 -0.630 19413 16304 1 19 . 1 1 152 152 MET N N 152 121.866 121.866 123.365 -1.499 19413 16305 1 19 . 1 1 152 152 MET HA H 152 5.724 5.724 4.940 0.784 19413 16306 1 19 . 1 1 152 152 MET CA C 152 55.487 55.487 55.755 -0.268 19413 16307 1 19 . 1 1 152 152 MET CB C 152 36.830 36.830 35.437 1.393 19413 16308 1 19 . 1 1 152 152 MET H H 152 8.610 8.610 8.418 0.192 19413 16309 1 19 . 1 1 153 153 TYR N N 153 124.782 124.782 124.223 0.559 19413 16310 1 19 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.361 0.393 19413 16311 1 19 . 1 1 153 153 TYR CA C 153 56.208 56.208 56.993 -0.785 19413 16312 1 19 . 1 1 153 153 TYR CB C 153 42.990 42.990 40.802 2.188 19413 16313 1 19 . 1 1 153 153 TYR H H 153 9.685 9.685 8.919 0.766 19413 16314 1 19 . 1 1 154 154 VAL N N 154 121.914 121.914 119.289 2.625 19413 16315 1 19 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.821 -1.161 19413 16316 1 19 . 1 1 154 154 VAL H H 154 9.441 9.441 9.080 0.361 19413 16317 1 19 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.366 0.373 19413 16318 1 19 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.177 0.296 19413 16319 1 19 . 1 1 155 155 ASN CB C 155 37.154 37.154 37.615 -0.461 19413 16320 1 19 . 1 1 156 156 GLY N N 156 106.059 106.059 103.729 2.330 19413 16321 1 19 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.209 -0.023 19413 16322 1 19 . 1 1 156 156 GLY H H 156 9.354 9.354 8.589 0.765 19413 16323 1 19 . 1 1 157 157 LYS N N 157 114.357 114.357 115.275 -0.918 19413 16324 1 19 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.438 0.114 19413 16325 1 19 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.879 0.876 19413 16326 1 19 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.515 2.273 19413 16327 1 19 . 1 1 157 157 LYS H H 157 7.877 7.877 7.962 -0.085 19413 16328 1 19 . 1 1 158 158 TYR N N 158 117.900 117.900 119.538 -1.638 19413 16329 1 19 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.503 0.361 19413 16330 1 19 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.986 -1.131 19413 16331 1 19 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.619 0.260 19413 16332 1 19 . 1 1 158 158 TYR H H 158 7.876 7.876 8.274 -0.398 19413 16333 1 19 . 1 1 159 159 GLN N N 159 125.094 125.094 119.171 5.923 19413 16334 1 19 . 1 1 159 159 GLN HA H 159 4.753 4.753 4.997 -0.244 19413 16335 1 19 . 1 1 159 159 GLN CA C 159 53.406 53.406 54.131 -0.725 19413 16336 1 19 . 1 1 159 159 GLN CB C 159 31.849 31.849 31.369 0.480 19413 16337 1 19 . 1 1 159 159 GLN H H 159 9.701 9.701 9.324 0.377 19413 16338 1 19 . 1 1 160 160 LEU N N 160 131.941 131.941 125.099 6.842 19413 16339 1 19 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.135 -0.124 19413 16340 1 19 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.522 -1.527 19413 16341 1 19 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.524 -1.449 19413 16342 1 19 . 1 1 160 160 LEU H H 160 8.551 8.551 8.129 0.422 19413 16343 1 19 . 1 1 161 161 ASN N N 161 118.639 118.639 122.395 -3.756 19413 16344 1 19 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.141 0.355 19413 16345 1 19 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.980 -0.211 19413 16346 1 19 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.195 -0.284 19413 16347 1 19 . 1 1 161 161 ASN H H 161 8.285 8.285 8.322 -0.037 19413 16348 1 19 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.759 0.030 19413 16349 1 19 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.871 -0.097 19413 16350 1 19 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.532 -0.354 19413 16351 1 19 . 1 1 163 163 GLN N N 163 116.006 116.006 117.479 -1.473 19413 16352 1 19 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.352 -0.126 19413 16353 1 19 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.198 0.768 19413 16354 1 19 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.581 -0.605 19413 16355 1 19 . 1 1 163 163 GLN H H 163 8.086 8.086 8.315 -0.229 19413 16356 1 19 . 1 1 164 164 GLY N N 164 107.393 107.393 106.328 1.065 19413 16357 1 19 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.590 0.013 19413 16358 1 19 . 1 1 164 164 GLY H H 164 8.030 8.030 7.812 0.218 19413 16359 1 19 . 1 1 165 165 MET N N 165 119.802 119.802 118.761 1.041 19413 16360 1 19 . 1 1 165 165 MET HA H 165 4.636 4.636 4.556 0.080 19413 16361 1 19 . 1 1 165 165 MET CA C 165 54.567 54.567 55.694 -1.127 19413 16362 1 19 . 1 1 165 165 MET CB C 165 34.464 34.464 34.120 0.344 19413 16363 1 19 . 1 1 165 165 MET H H 165 7.451 7.451 7.450 0.001 19413 16364 1 19 . 1 1 166 166 ASP N N 166 121.681 121.681 120.489 1.192 19413 16365 1 19 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.629 0.004 19413 16366 1 19 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.989 -0.808 19413 16367 1 19 . 1 1 166 166 ASP CB C 166 40.653 40.653 41.226 -0.573 19413 16368 1 19 . 1 1 166 166 ASP H H 166 8.694 8.694 8.703 -0.009 19413 16369 1 19 . 1 1 167 167 THR N N 167 112.609 112.609 116.677 -4.068 19413 16370 1 19 . 1 1 167 167 THR HA H 167 4.224 4.224 4.600 -0.376 19413 16371 1 19 . 1 1 167 167 THR CA C 167 60.340 60.340 62.310 -1.970 19413 16372 1 19 . 1 1 167 167 THR CB C 167 68.416 68.416 69.145 -0.729 19413 16373 1 19 . 1 1 167 167 THR H H 167 7.860 7.860 8.322 -0.462 19413 16374 1 19 . 1 1 168 168 SER N N 168 118.936 118.936 118.424 0.512 19413 16375 1 19 . 1 1 168 168 SER HA H 168 4.158 4.158 4.284 -0.126 19413 16376 1 19 . 1 1 168 168 SER CA C 168 60.874 60.874 61.137 -0.263 19413 16377 1 19 . 1 1 168 168 SER CB C 168 63.123 63.123 62.997 0.126 19413 16378 1 19 . 1 1 168 168 SER H H 168 8.739 8.739 8.465 0.274 19413 16379 1 19 . 1 1 169 169 ASN N N 169 117.875 117.875 115.275 2.600 19413 16380 1 19 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.962 -0.189 19413 16381 1 19 . 1 1 169 169 ASN CA C 169 52.348 52.348 52.940 -0.592 19413 16382 1 19 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.152 0.540 19413 16383 1 19 . 1 1 169 169 ASN H H 169 7.341 7.341 8.163 -0.822 19413 16384 1 19 . 1 1 170 170 MET N N 170 123.431 123.431 117.139 6.292 19413 16385 1 19 . 1 1 170 170 MET HA H 170 4.600 4.600 3.947 0.653 19413 16386 1 19 . 1 1 170 170 MET CA C 170 57.233 57.233 59.264 -2.031 19413 16387 1 19 . 1 1 170 170 MET CB C 170 32.751 32.751 30.142 2.609 19413 16388 1 19 . 1 1 170 170 MET H H 170 9.186 9.186 7.940 1.246 19413 16389 1 19 . 1 1 171 171 ASP N N 171 120.825 120.825 120.162 0.663 19413 16390 1 19 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.389 0.104 19413 16391 1 19 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.940 -0.434 19413 16392 1 19 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.429 -1.641 19413 16393 1 19 . 1 1 171 171 ASP H H 171 8.232 8.232 8.265 -0.033 19413 16394 1 19 . 1 1 172 172 VAL N N 172 122.666 122.666 118.276 4.390 19413 16395 1 19 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.739 0.039 19413 16396 1 19 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.284 0.255 19413 16397 1 19 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.862 -0.007 19413 16398 1 19 . 1 1 172 172 VAL H H 172 7.872 7.872 7.814 0.058 19413 16399 1 19 . 1 1 173 173 PHE N N 173 121.872 121.872 122.356 -0.484 19413 16400 1 19 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.397 -0.017 19413 16401 1 19 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.338 0.126 19413 16402 1 19 . 1 1 173 173 PHE CB C 173 39.274 39.274 39.214 0.060 19413 16403 1 19 . 1 1 173 173 PHE H H 173 8.250 8.250 7.794 0.456 19413 16404 1 19 . 1 1 174 174 VAL N N 174 117.535 117.535 119.682 -2.147 19413 16405 1 19 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.250 -0.207 19413 16406 1 19 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.218 0.685 19413 16407 1 19 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.762 0.609 19413 16408 1 19 . 1 1 174 174 VAL H H 174 8.138 8.138 8.000 0.138 19413 16409 1 19 . 1 1 175 175 ALA N N 175 121.129 121.129 122.689 -1.560 19413 16410 1 19 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.886 0.240 19413 16411 1 19 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.494 -0.726 19413 16412 1 19 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.289 -0.274 19413 16413 1 19 . 1 1 175 175 ALA H H 175 7.396 7.396 8.477 -1.081 19413 16414 1 19 . 1 1 176 176 GLN N N 176 120.043 120.043 117.505 2.538 19413 16415 1 19 . 1 1 176 176 GLN HA H 176 4.079 4.079 3.973 0.106 19413 16416 1 19 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.495 0.467 19413 16417 1 19 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.032 -0.983 19413 16418 1 19 . 1 1 176 176 GLN H H 176 8.721 8.721 7.542 1.179 19413 16419 1 19 . 1 1 177 177 TYR N N 177 127.981 127.981 122.648 5.333 19413 16420 1 19 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.894 -0.303 19413 16421 1 19 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.489 0.073 19413 16422 1 19 . 1 1 177 177 TYR CB C 177 37.978 37.978 37.924 0.054 19413 16423 1 19 . 1 1 177 177 TYR H H 177 9.002 9.002 8.282 0.720 19413 16424 1 19 . 1 1 178 178 ALA N N 178 119.796 119.796 119.551 0.245 19413 16425 1 19 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.897 0.133 19413 16426 1 19 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.418 -0.013 19413 16427 1 19 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.996 -0.027 19413 16428 1 19 . 1 1 178 178 ALA H H 178 8.392 8.392 8.506 -0.114 19413 16429 1 19 . 1 1 179 179 ASP N N 179 117.823 117.823 117.922 -0.099 19413 16430 1 19 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.388 0.031 19413 16431 1 19 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.020 0.277 19413 16432 1 19 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.624 1.179 19413 16433 1 19 . 1 1 179 179 ASP H H 179 8.379 8.379 7.620 0.759 19413 16434 1 19 . 1 1 180 180 THR N N 180 117.846 117.846 117.474 0.372 19413 16435 1 19 . 1 1 180 180 THR HA H 180 4.179 4.179 3.995 0.184 19413 16436 1 19 . 1 1 180 180 THR CA C 180 67.378 67.378 66.595 0.783 19413 16437 1 19 . 1 1 180 180 THR CB C 180 67.733 67.733 68.462 -0.729 19413 16438 1 19 . 1 1 180 180 THR H H 180 8.255 8.255 8.128 0.127 19413 16439 1 19 . 1 1 181 181 VAL N N 181 120.101 120.101 121.075 -0.974 19413 16440 1 19 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.426 -0.245 19413 16441 1 19 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.443 1.337 19413 16442 1 19 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.333 -0.402 19413 16443 1 19 . 1 1 181 181 VAL H H 181 7.772 7.772 7.887 -0.115 19413 16444 1 19 . 1 1 182 182 LYS N N 182 119.144 119.144 119.091 0.053 19413 16445 1 19 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.928 -0.298 19413 16446 1 19 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.124 1.237 19413 16447 1 19 . 1 1 182 182 LYS CB C 182 32.280 32.280 32.077 0.203 19413 16448 1 19 . 1 1 182 182 LYS H H 182 7.758 7.758 7.633 0.125 19413 16449 1 19 . 1 1 183 183 GLN N N 183 116.269 116.269 118.430 -2.161 19413 16450 1 19 . 1 1 183 183 GLN HA H 183 3.985 3.985 3.924 0.061 19413 16451 1 19 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.594 0.689 19413 16452 1 19 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.610 0.713 19413 16453 1 19 . 1 1 183 183 GLN H H 183 8.114 8.114 8.032 0.082 19413 16454 1 19 . 1 1 184 184 LEU N N 184 119.688 119.688 117.290 2.398 19413 16455 1 19 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.810 -0.175 19413 16456 1 19 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.222 0.819 19413 16457 1 19 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.826 0.234 19413 16458 1 19 . 1 1 184 184 LEU H H 184 8.000 8.000 7.318 0.682 19413 16459 1 19 . 1 1 185 185 VAL N N 185 121.017 121.017 114.995 6.022 19413 16460 1 19 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.647 -0.135 19413 16461 1 19 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.707 0.035 19413 16462 1 19 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.957 -0.393 19413 16463 1 19 . 1 1 185 185 VAL H H 185 8.494 8.494 7.696 0.798 19413 16464 1 19 . 1 1 186 186 GLU N N 186 117.535 117.535 117.246 0.289 19413 16465 1 19 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.219 -0.099 19413 16466 1 19 . 1 1 186 186 GLU CA C 186 57.159 57.159 57.773 -0.614 19413 16467 1 19 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.444 0.345 19413 16468 1 19 . 1 1 186 186 GLU H H 186 7.541 7.541 7.815 -0.274 19413 16469 1 19 . 1 1 187 187 LYS N N 187 121.929 121.929 121.026 0.903 19413 16470 1 19 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.392 -0.266 19413 16471 1 19 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.137 2.611 19413 16472 1 19 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.441 1.277 19413 16473 1 19 . 1 1 187 187 LYS H H 187 7.358 7.358 7.359 -0.001 19413 16474 1 20 . 1 1 0 0 ASN HA H 0 4.771 4.771 4.733 0.038 19413 16475 1 20 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.553 -0.265 19413 16476 1 20 . 1 1 0 0 ASN CB C 0 38.921 38.921 39.293 -0.372 19413 16477 1 20 . 1 1 1 1 ALA N N 1 125.275 125.275 124.183 1.092 19413 16478 1 20 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.328 -0.009 19413 16479 1 20 . 1 1 1 1 ALA CA C 1 52.033 52.033 52.466 -0.433 19413 16480 1 20 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.701 1.423 19413 16481 1 20 . 1 1 1 1 ALA H H 1 8.441 8.441 8.223 0.218 19413 16482 1 20 . 1 1 2 2 GLN N N 2 121.120 121.120 117.740 3.380 19413 16483 1 20 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.610 -0.131 19413 16484 1 20 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.588 -0.175 19413 16485 1 20 . 1 1 2 2 GLN CB C 2 29.494 29.494 32.090 -2.596 19413 16486 1 20 . 1 1 2 2 GLN H H 2 8.334 8.334 7.872 0.462 19413 16487 1 20 . 1 1 3 3 ILE N N 3 120.380 120.380 119.918 0.462 19413 16488 1 20 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.688 -0.277 19413 16489 1 20 . 1 1 3 3 ILE CA C 3 60.793 60.793 60.029 0.764 19413 16490 1 20 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.838 -1.147 19413 16491 1 20 . 1 1 3 3 ILE H H 3 8.197 8.197 8.239 -0.042 19413 16492 1 20 . 1 1 4 4 THR N N 4 120.223 120.223 119.067 1.156 19413 16493 1 20 . 1 1 4 4 THR HA H 4 4.566 4.566 4.573 -0.007 19413 16494 1 20 . 1 1 4 4 THR CA C 4 61.500 61.500 60.823 0.677 19413 16495 1 20 . 1 1 4 4 THR CB C 4 71.727 71.727 71.049 0.678 19413 16496 1 20 . 1 1 4 4 THR H H 4 9.119 9.119 8.289 0.830 19413 16497 1 20 . 1 1 5 5 ASP N N 5 128.193 128.193 122.227 5.966 19413 16498 1 20 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.318 -0.172 19413 16499 1 20 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.455 0.894 19413 16500 1 20 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.687 0.314 19413 16501 1 20 . 1 1 5 5 ASP H H 5 8.510 8.510 8.368 0.142 19413 16502 1 20 . 1 1 6 6 GLY N N 6 117.400 117.400 111.968 5.432 19413 16503 1 20 . 1 1 6 6 GLY CA C 6 44.982 44.982 46.166 -1.183 19413 16504 1 20 . 1 1 6 6 GLY H H 6 8.608 8.608 8.691 -0.083 19413 16505 1 20 . 1 1 7 7 LYS N N 7 122.122 122.122 120.885 1.237 19413 16506 1 20 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.453 0.149 19413 16507 1 20 . 1 1 7 7 LYS CA C 7 56.664 56.664 56.874 -0.210 19413 16508 1 20 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.209 -1.446 19413 16509 1 20 . 1 1 7 7 LYS H H 7 8.131 8.131 7.360 0.771 19413 16510 1 20 . 1 1 8 8 GLN N N 8 115.920 115.920 116.380 -0.460 19413 16511 1 20 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.463 -0.334 19413 16512 1 20 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.305 1.762 19413 16513 1 20 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.693 -3.607 19413 16514 1 20 . 1 1 8 8 GLN H H 8 8.548 8.548 7.819 0.729 19413 16515 1 20 . 1 1 9 9 TYR N N 9 112.118 112.118 113.474 -1.356 19413 16516 1 20 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.554 -0.436 19413 16517 1 20 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.648 -0.909 19413 16518 1 20 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.221 -0.044 19413 16519 1 20 . 1 1 9 9 TYR H H 9 7.572 7.572 7.610 -0.038 19413 16520 1 20 . 1 1 10 10 ILE N N 10 119.488 119.488 119.536 -0.048 19413 16521 1 20 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.477 0.104 19413 16522 1 20 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.895 0.103 19413 16523 1 20 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.887 0.116 19413 16524 1 20 . 1 1 10 10 ILE H H 10 9.365 9.365 9.158 0.207 19413 16525 1 20 . 1 1 11 11 THR N N 11 126.054 126.054 115.853 10.201 19413 16526 1 20 . 1 1 11 11 THR HA H 11 4.837 4.837 5.200 -0.363 19413 16527 1 20 . 1 1 11 11 THR CA C 11 63.376 63.376 60.154 3.222 19413 16528 1 20 . 1 1 11 11 THR CB C 11 68.487 68.487 70.650 -2.163 19413 16529 1 20 . 1 1 11 11 THR H H 11 9.153 9.153 8.198 0.955 19413 16530 1 20 . 1 1 12 12 LEU N N 12 129.370 129.370 122.936 6.434 19413 16531 1 20 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.494 -0.245 19413 16532 1 20 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.344 0.942 19413 16533 1 20 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.334 -0.828 19413 16534 1 20 . 1 1 12 12 LEU H H 12 8.636 8.636 8.076 0.560 19413 16535 1 20 . 1 1 13 13 ASP N N 13 122.179 122.179 122.011 0.168 19413 16536 1 20 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.537 -0.099 19413 16537 1 20 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.935 -0.212 19413 16538 1 20 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.450 -0.565 19413 16539 1 20 . 1 1 13 13 ASP H H 13 8.494 8.494 8.450 0.044 19413 16540 1 20 . 1 1 14 14 LYS N N 14 119.361 119.361 120.190 -0.829 19413 16541 1 20 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.657 0.105 19413 16542 1 20 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.625 -1.138 19413 16543 1 20 . 1 1 14 14 LYS CB C 14 32.903 32.903 32.628 0.275 19413 16544 1 20 . 1 1 14 14 LYS H H 14 7.714 7.714 8.136 -0.422 19413 16545 1 20 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.632 -0.029 19413 16546 1 20 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.268 -0.007 19413 16547 1 20 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.142 2.555 19413 16548 1 20 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.209 0.153 19413 16549 1 20 . 1 1 16 16 ILE CA C 16 58.576 58.576 59.848 -1.272 19413 16550 1 20 . 1 1 16 16 ILE CB C 16 38.242 38.242 41.185 -2.943 19413 16551 1 20 . 1 1 17 17 ALA N N 17 130.287 130.287 127.685 2.602 19413 16552 1 20 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.180 0.168 19413 16553 1 20 . 1 1 17 17 ALA CA C 17 52.651 52.651 53.608 -0.956 19413 16554 1 20 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.440 0.904 19413 16555 1 20 . 1 1 17 17 ALA H H 17 8.396 8.396 8.589 -0.193 19413 16556 1 20 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.222 -0.004 19413 16557 1 20 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.266 0.135 19413 16558 1 20 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.814 0.578 19413 16559 1 20 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.421 -0.743 19413 16560 1 20 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.644 0.394 19413 16561 1 20 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.199 -1.233 19413 16562 1 20 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.967 -0.854 19413 16563 1 20 . 1 1 24 24 GLU N N 24 127.720 127.720 121.170 6.550 19413 16564 1 20 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.266 0.339 19413 16565 1 20 . 1 1 24 24 GLU CA C 24 53.438 53.438 55.688 -2.250 19413 16566 1 20 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.020 0.684 19413 16567 1 20 . 1 1 24 24 GLU H H 24 8.973 8.973 8.188 0.785 19413 16568 1 20 . 1 1 25 25 PHE N N 25 121.108 121.108 123.139 -2.031 19413 16569 1 20 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.211 0.855 19413 16570 1 20 . 1 1 25 25 PHE CA C 25 55.945 55.945 57.167 -1.222 19413 16571 1 20 . 1 1 25 25 PHE CB C 25 44.006 44.006 43.207 0.799 19413 16572 1 20 . 1 1 25 25 PHE H H 25 9.266 9.266 9.348 -0.082 19413 16573 1 20 . 1 1 26 26 PHE N N 26 120.125 120.125 117.997 2.128 19413 16574 1 20 . 1 1 26 26 PHE HA H 26 4.781 4.781 5.110 -0.329 19413 16575 1 20 . 1 1 26 26 PHE CA C 26 54.838 54.838 55.761 -0.923 19413 16576 1 20 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.744 1.860 19413 16577 1 20 . 1 1 26 26 PHE H H 26 8.957 8.957 8.601 0.356 19413 16578 1 20 . 1 1 27 27 SER N N 27 109.643 109.643 113.952 -4.309 19413 16579 1 20 . 1 1 27 27 SER HA H 27 3.584 3.584 4.412 -0.828 19413 16580 1 20 . 1 1 27 27 SER CA C 27 54.556 54.556 55.523 -0.967 19413 16581 1 20 . 1 1 27 27 SER CB C 27 64.711 64.711 65.599 -0.888 19413 16582 1 20 . 1 1 27 27 SER H H 27 6.543 6.543 8.352 -1.809 19413 16583 1 20 . 1 1 28 28 PHE N N 28 132.096 132.096 124.334 7.762 19413 16584 1 20 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.735 0.632 19413 16585 1 20 . 1 1 28 28 PHE CA C 28 62.530 62.530 57.764 4.766 19413 16586 1 20 . 1 1 28 28 PHE CB C 28 38.643 38.643 37.914 0.729 19413 16587 1 20 . 1 1 28 28 PHE H H 28 11.199 11.199 8.685 2.514 19413 16588 1 20 . 1 1 29 29 TYR N N 29 115.582 115.582 115.656 -0.074 19413 16589 1 20 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.438 -0.069 19413 16590 1 20 . 1 1 29 29 TYR CA C 29 59.845 59.845 57.653 2.192 19413 16591 1 20 . 1 1 29 29 TYR CB C 29 39.781 39.781 37.655 2.126 19413 16592 1 20 . 1 1 29 29 TYR H H 29 8.619 8.619 7.723 0.896 19413 16593 1 20 . 1 1 30 30 CYS N N 30 121.025 121.025 121.663 -0.638 19413 16594 1 20 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.713 0.293 19413 16595 1 20 . 1 1 30 30 CYS CA C 30 52.459 52.459 56.446 -3.986 19413 16596 1 20 . 1 1 30 30 CYS CB C 30 46.378 46.378 28.282 18.096 19413 16597 1 20 . 1 1 30 30 CYS H H 30 7.284 7.284 7.806 -0.522 19413 16598 1 20 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.791 0.286 19413 16599 1 20 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.819 1.154 19413 16600 1 20 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.545 -0.337 19413 16601 1 20 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.278 0.326 19413 16602 1 20 . 1 1 32 32 HIS CA C 32 58.447 58.447 59.942 -1.495 19413 16603 1 20 . 1 1 32 32 HIS CB C 32 30.054 30.054 29.215 0.839 19413 16604 1 20 . 1 1 33 33 CYS N N 33 117.365 117.365 117.787 -0.422 19413 16605 1 20 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.133 0.406 19413 16606 1 20 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.923 0.269 19413 16607 1 20 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.498 8.345 19413 16608 1 20 . 1 1 33 33 CYS H H 33 8.921 8.921 7.913 1.008 19413 16609 1 20 . 1 1 34 34 TYR N N 34 123.491 123.491 120.955 2.536 19413 16610 1 20 . 1 1 34 34 TYR HA H 34 2.762 2.762 4.377 -1.615 19413 16611 1 20 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.718 -2.285 19413 16612 1 20 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.338 -0.853 19413 16613 1 20 . 1 1 34 34 TYR H H 34 7.650 7.650 7.687 -0.037 19413 16614 1 20 . 1 1 35 35 GLN N N 35 118.639 118.639 117.161 1.478 19413 16615 1 20 . 1 1 35 35 GLN HA H 35 3.712 3.712 4.037 -0.325 19413 16616 1 20 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.938 -0.528 19413 16617 1 20 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.122 -0.189 19413 16618 1 20 . 1 1 35 35 GLN H H 35 7.641 7.641 8.151 -0.510 19413 16619 1 20 . 1 1 36 36 PHE N N 36 121.254 121.254 116.605 4.649 19413 16620 1 20 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.284 -0.254 19413 16621 1 20 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.037 0.764 19413 16622 1 20 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.532 0.386 19413 16623 1 20 . 1 1 36 36 PHE H H 36 8.721 8.721 8.396 0.325 19413 16624 1 20 . 1 1 37 37 GLU N N 37 116.279 116.279 115.553 0.726 19413 16625 1 20 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.259 0.068 19413 16626 1 20 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.680 1.104 19413 16627 1 20 . 1 1 37 37 GLU CB C 37 30.856 30.856 31.475 -0.619 19413 16628 1 20 . 1 1 37 37 GLU H H 37 7.705 7.705 7.844 -0.139 19413 16629 1 20 . 1 1 38 38 GLU N N 38 112.285 112.285 115.490 -3.205 19413 16630 1 20 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.922 0.084 19413 16631 1 20 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.356 -0.778 19413 16632 1 20 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.627 -1.843 19413 16633 1 20 . 1 1 38 38 GLU H H 38 7.870 7.870 7.986 -0.116 19413 16634 1 20 . 1 1 39 39 VAL N N 39 117.365 117.365 118.757 -1.392 19413 16635 1 20 . 1 1 39 39 VAL HA H 39 4.008 4.008 4.205 -0.197 19413 16636 1 20 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.313 0.652 19413 16637 1 20 . 1 1 39 39 VAL CB C 39 32.360 32.360 33.148 -0.788 19413 16638 1 20 . 1 1 39 39 VAL H H 39 6.850 6.850 7.619 -0.769 19413 16639 1 20 . 1 1 40 40 LEU N N 40 116.098 116.098 119.572 -3.474 19413 16640 1 20 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.031 0.062 19413 16641 1 20 . 1 1 40 40 LEU CA C 40 55.099 55.099 56.520 -1.421 19413 16642 1 20 . 1 1 40 40 LEU CB C 40 43.113 43.113 41.870 1.243 19413 16643 1 20 . 1 1 40 40 LEU H H 40 8.171 8.171 7.810 0.361 19413 16644 1 20 . 1 1 41 41 HIS N N 41 111.930 111.930 113.071 -1.141 19413 16645 1 20 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.253 0.253 19413 16646 1 20 . 1 1 41 41 HIS CA C 41 55.467 55.467 57.091 -1.624 19413 16647 1 20 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.352 -0.749 19413 16648 1 20 . 1 1 41 41 HIS H H 41 6.459 6.459 7.486 -1.027 19413 16649 1 20 . 1 1 42 42 VAL N N 42 120.465 120.465 119.969 0.496 19413 16650 1 20 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.336 -0.308 19413 16651 1 20 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.656 1.316 19413 16652 1 20 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.143 -0.257 19413 16653 1 20 . 1 1 42 42 VAL H H 42 8.621 8.621 7.862 0.759 19413 16654 1 20 . 1 1 43 43 SER N N 43 113.968 113.968 114.069 -0.101 19413 16655 1 20 . 1 1 43 43 SER HA H 43 4.002 4.002 3.962 0.040 19413 16656 1 20 . 1 1 43 43 SER CA C 43 61.242 61.242 61.742 -0.500 19413 16657 1 20 . 1 1 43 43 SER CB C 43 62.565 62.565 62.809 -0.244 19413 16658 1 20 . 1 1 43 43 SER H H 43 8.040 8.040 7.787 0.253 19413 16659 1 20 . 1 1 44 44 ASP N N 44 121.731 121.731 119.565 2.166 19413 16660 1 20 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.600 -0.186 19413 16661 1 20 . 1 1 44 44 ASP CA C 44 57.232 57.232 55.933 1.299 19413 16662 1 20 . 1 1 44 44 ASP CB C 44 41.032 41.032 41.117 -0.085 19413 16663 1 20 . 1 1 44 44 ASP H H 44 8.215 8.215 7.732 0.483 19413 16664 1 20 . 1 1 45 45 ASN N N 45 118.906 118.906 119.458 -0.552 19413 16665 1 20 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.476 -0.204 19413 16666 1 20 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.350 0.972 19413 16667 1 20 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.791 0.836 19413 16668 1 20 . 1 1 45 45 ASN H H 45 7.860 7.860 7.768 0.092 19413 16669 1 20 . 1 1 46 46 VAL N N 46 119.934 119.934 118.080 1.854 19413 16670 1 20 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.709 -0.244 19413 16671 1 20 . 1 1 46 46 VAL CA C 46 66.801 66.801 65.523 1.278 19413 16672 1 20 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.031 0.318 19413 16673 1 20 . 1 1 46 46 VAL H H 46 8.583 8.583 8.399 0.184 19413 16674 1 20 . 1 1 47 47 ARG N N 47 119.655 119.655 120.455 -0.800 19413 16675 1 20 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.956 -0.135 19413 16676 1 20 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.480 0.322 19413 16677 1 20 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.838 0.499 19413 16678 1 20 . 1 1 47 47 ARG H H 47 8.522 8.522 7.559 0.963 19413 16679 1 20 . 1 1 48 48 GLN N N 48 115.072 115.072 117.814 -2.742 19413 16680 1 20 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.138 -0.020 19413 16681 1 20 . 1 1 48 48 GLN CA C 48 57.729 57.729 58.123 -0.394 19413 16682 1 20 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.683 0.327 19413 16683 1 20 . 1 1 48 48 GLN H H 48 7.605 7.605 7.738 -0.133 19413 16684 1 20 . 1 1 49 49 LYS N N 49 116.858 116.858 116.197 0.661 19413 16685 1 20 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.468 -0.046 19413 16686 1 20 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.597 -0.792 19413 16687 1 20 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.141 -0.493 19413 16688 1 20 . 1 1 49 49 LYS H H 49 7.460 7.460 7.990 -0.530 19413 16689 1 20 . 1 1 50 50 LEU N N 50 119.786 119.786 123.231 -3.445 19413 16690 1 20 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.347 0.052 19413 16691 1 20 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.564 -0.636 19413 16692 1 20 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.757 -0.803 19413 16693 1 20 . 1 1 50 50 LEU H H 50 7.215 7.215 7.378 -0.163 19413 16694 1 20 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.543 -0.067 19413 16695 1 20 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.336 -0.064 19413 16696 1 20 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.200 -0.746 19413 16697 1 20 . 1 1 52 52 GLU N N 52 126.400 126.400 120.846 5.554 19413 16698 1 20 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.195 -0.095 19413 16699 1 20 . 1 1 52 52 GLU CA C 52 58.115 58.115 57.140 0.975 19413 16700 1 20 . 1 1 52 52 GLU CB C 52 29.336 29.336 27.588 1.748 19413 16701 1 20 . 1 1 52 52 GLU H H 52 8.935 8.935 8.710 0.225 19413 16702 1 20 . 1 1 53 53 GLY N N 53 113.671 113.671 107.713 5.958 19413 16703 1 20 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.562 -0.716 19413 16704 1 20 . 1 1 53 53 GLY H H 53 8.948 8.948 7.844 1.104 19413 16705 1 20 . 1 1 54 54 THR N N 54 118.129 118.129 116.704 1.425 19413 16706 1 20 . 1 1 54 54 THR HA H 54 4.161 4.161 4.343 -0.182 19413 16707 1 20 . 1 1 54 54 THR CA C 54 63.707 63.707 62.383 1.324 19413 16708 1 20 . 1 1 54 54 THR CB C 54 68.784 68.784 69.528 -0.744 19413 16709 1 20 . 1 1 54 54 THR H H 54 7.696 7.696 7.584 0.112 19413 16710 1 20 . 1 1 55 55 LYS N N 55 129.892 129.892 121.148 8.744 19413 16711 1 20 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.086 0.289 19413 16712 1 20 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.841 -1.006 19413 16713 1 20 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.162 1.286 19413 16714 1 20 . 1 1 55 55 LYS H H 55 8.757 8.757 8.448 0.309 19413 16715 1 20 . 1 1 56 56 MET N N 56 125.391 125.391 123.329 2.062 19413 16716 1 20 . 1 1 56 56 MET HA H 56 5.258 5.258 4.319 0.939 19413 16717 1 20 . 1 1 56 56 MET CA C 56 54.436 54.436 57.079 -2.643 19413 16718 1 20 . 1 1 56 56 MET CB C 56 34.394 34.394 33.164 1.230 19413 16719 1 20 . 1 1 56 56 MET H H 56 8.512 8.512 8.516 -0.004 19413 16720 1 20 . 1 1 57 57 THR N N 57 124.711 124.711 120.077 4.634 19413 16721 1 20 . 1 1 57 57 THR HA H 57 4.390 4.390 4.637 -0.247 19413 16722 1 20 . 1 1 57 57 THR CA C 57 61.942 61.942 60.679 1.262 19413 16723 1 20 . 1 1 57 57 THR CB C 57 70.952 70.952 70.648 0.304 19413 16724 1 20 . 1 1 57 57 THR H H 57 8.830 8.830 8.090 0.740 19413 16725 1 20 . 1 1 58 58 LYS N N 58 126.113 126.113 120.397 5.716 19413 16726 1 20 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.727 0.555 19413 16727 1 20 . 1 1 58 58 LYS CA C 58 54.501 54.501 57.171 -2.670 19413 16728 1 20 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.326 1.091 19413 16729 1 20 . 1 1 58 58 LYS H H 58 8.739 8.739 8.512 0.227 19413 16730 1 20 . 1 1 59 59 TYR N N 59 127.472 127.472 122.903 4.569 19413 16731 1 20 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.751 0.875 19413 16732 1 20 . 1 1 59 59 TYR CA C 59 51.825 51.825 56.488 -4.663 19413 16733 1 20 . 1 1 59 59 TYR CB C 59 40.685 40.685 39.950 0.735 19413 16734 1 20 . 1 1 59 59 TYR H H 59 9.524 9.524 9.156 0.368 19413 16735 1 20 . 1 1 60 60 HIS N N 60 123.656 123.656 114.988 8.668 19413 16736 1 20 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.923 -0.539 19413 16737 1 20 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.447 2.019 19413 16738 1 20 . 1 1 60 60 HIS CB C 60 30.819 30.819 32.059 -1.240 19413 16739 1 20 . 1 1 60 60 HIS H H 60 9.284 9.284 7.712 1.572 19413 16740 1 20 . 1 1 61 61 VAL N N 61 112.397 112.397 115.038 -2.641 19413 16741 1 20 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.719 0.018 19413 16742 1 20 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.435 -1.356 19413 16743 1 20 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.589 -1.704 19413 16744 1 20 . 1 1 61 61 VAL H H 61 6.262 6.262 7.780 -1.518 19413 16745 1 20 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.591 -0.550 19413 16746 1 20 . 1 1 62 62 GLU CA C 62 56.328 56.328 54.896 1.432 19413 16747 1 20 . 1 1 62 62 GLU CB C 62 29.752 29.752 28.287 1.465 19413 16748 1 20 . 1 1 63 63 PHE N N 63 111.215 111.215 117.942 -6.727 19413 16749 1 20 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.759 -0.188 19413 16750 1 20 . 1 1 63 63 PHE CA C 63 57.709 57.709 56.648 1.062 19413 16751 1 20 . 1 1 63 63 PHE CB C 63 37.605 37.605 40.537 -2.932 19413 16752 1 20 . 1 1 63 63 PHE H H 63 6.419 6.419 7.186 -0.767 19413 16753 1 20 . 1 1 64 64 LEU N N 64 119.701 119.701 118.005 1.696 19413 16754 1 20 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.097 0.598 19413 16755 1 20 . 1 1 64 64 LEU CA C 64 53.812 53.812 56.924 -3.112 19413 16756 1 20 . 1 1 64 64 LEU CB C 64 44.338 44.338 41.098 3.240 19413 16757 1 20 . 1 1 64 64 LEU H H 64 6.396 6.396 8.684 -2.288 19413 16758 1 20 . 1 1 65 65 GLY N N 65 108.957 108.957 104.789 4.168 19413 16759 1 20 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.346 -0.168 19413 16760 1 20 . 1 1 65 65 GLY H H 65 8.084 8.084 7.759 0.325 19413 16761 1 20 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.331 0.080 19413 16762 1 20 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.634 0.361 19413 16763 1 20 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.125 -0.334 19413 16764 1 20 . 1 1 67 67 LEU N N 67 114.479 114.479 118.815 -4.336 19413 16765 1 20 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.594 0.873 19413 16766 1 20 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.267 -1.374 19413 16767 1 20 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.768 -0.330 19413 16768 1 20 . 1 1 67 67 LEU H H 67 7.484 7.484 7.783 -0.299 19413 16769 1 20 . 1 1 68 68 GLY N N 68 108.957 108.957 109.860 -0.903 19413 16770 1 20 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.376 2.131 19413 16771 1 20 . 1 1 68 68 GLY H H 68 7.659 7.659 8.028 -0.369 19413 16772 1 20 . 1 1 69 69 LYS N N 69 124.459 124.459 120.150 4.309 19413 16773 1 20 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.314 -0.268 19413 16774 1 20 . 1 1 69 69 LYS CA C 69 61.036 61.036 56.835 4.201 19413 16775 1 20 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.015 -0.423 19413 16776 1 20 . 1 1 69 69 LYS H H 69 9.149 9.149 8.392 0.757 19413 16777 1 20 . 1 1 70 70 ASP N N 70 122.631 122.631 120.398 2.233 19413 16778 1 20 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.825 -0.110 19413 16779 1 20 . 1 1 70 70 ASP CA C 70 57.895 57.895 55.713 2.182 19413 16780 1 20 . 1 1 70 70 ASP CB C 70 42.157 42.157 42.035 0.122 19413 16781 1 20 . 1 1 70 70 ASP H H 70 8.519 8.519 7.986 0.533 19413 16782 1 20 . 1 1 71 71 LEU N N 71 119.276 119.276 121.578 -2.302 19413 16783 1 20 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.700 0.537 19413 16784 1 20 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.411 -1.135 19413 16785 1 20 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.565 1.512 19413 16786 1 20 . 1 1 71 71 LEU H H 71 9.421 9.421 8.425 0.996 19413 16787 1 20 . 1 1 72 72 THR N N 72 119.204 119.204 110.978 8.226 19413 16788 1 20 . 1 1 72 72 THR HA H 72 4.033 4.033 2.229 1.804 19413 16789 1 20 . 1 1 72 72 THR CA C 72 67.403 67.403 65.023 2.380 19413 16790 1 20 . 1 1 72 72 THR CB C 72 68.170 68.170 67.849 0.321 19413 16791 1 20 . 1 1 72 72 THR H H 72 7.762 7.762 7.546 0.216 19413 16792 1 20 . 1 1 73 73 GLN N N 73 125.845 125.845 121.416 4.429 19413 16793 1 20 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.675 -0.012 19413 16794 1 20 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.436 0.967 19413 16795 1 20 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.128 -2.569 19413 16796 1 20 . 1 1 73 73 GLN H H 73 7.822 7.822 7.401 0.421 19413 16797 1 20 . 1 1 74 74 ALA N N 74 123.013 123.013 121.564 1.449 19413 16798 1 20 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.086 0.047 19413 16799 1 20 . 1 1 74 74 ALA CA C 74 54.904 54.904 54.902 0.002 19413 16800 1 20 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.592 0.558 19413 16801 1 20 . 1 1 74 74 ALA H H 74 8.966 8.966 7.964 1.002 19413 16802 1 20 . 1 1 75 75 TRP N N 75 120.717 120.717 119.909 0.808 19413 16803 1 20 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.306 0.593 19413 16804 1 20 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.276 -1.204 19413 16805 1 20 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.781 -0.190 19413 16806 1 20 . 1 1 75 75 TRP H H 75 8.932 8.932 8.109 0.823 19413 16807 1 20 . 1 1 76 76 ALA N N 76 119.394 119.394 121.330 -1.936 19413 16808 1 20 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.965 0.010 19413 16809 1 20 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.156 -0.278 19413 16810 1 20 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.062 2.103 19413 16811 1 20 . 1 1 76 76 ALA H H 76 7.650 7.650 7.900 -0.250 19413 16812 1 20 . 1 1 77 77 VAL N N 77 119.658 119.658 119.523 0.135 19413 16813 1 20 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.514 -0.290 19413 16814 1 20 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.299 0.608 19413 16815 1 20 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.443 -1.326 19413 16816 1 20 . 1 1 77 77 VAL H H 77 8.074 8.074 7.466 0.608 19413 16817 1 20 . 1 1 78 78 ALA N N 78 121.951 121.951 122.568 -0.617 19413 16818 1 20 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.083 -0.059 19413 16819 1 20 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.233 -0.391 19413 16820 1 20 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.067 -0.568 19413 16821 1 20 . 1 1 78 78 ALA H H 78 8.421 8.421 7.563 0.858 19413 16822 1 20 . 1 1 79 79 ILE N N 79 118.384 118.384 118.504 -0.120 19413 16823 1 20 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.484 0.132 19413 16824 1 20 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.623 -0.639 19413 16825 1 20 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.634 0.562 19413 16826 1 20 . 1 1 79 79 ILE H H 79 8.122 8.122 8.308 -0.186 19413 16827 1 20 . 1 1 80 80 ALA N N 80 124.708 124.708 121.579 3.129 19413 16828 1 20 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.088 -0.110 19413 16829 1 20 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.703 0.212 19413 16830 1 20 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.871 -0.766 19413 16831 1 20 . 1 1 80 80 ALA H H 80 8.694 8.694 7.816 0.878 19413 16832 1 20 . 1 1 81 81 LEU N N 81 114.303 114.303 117.030 -2.727 19413 16833 1 20 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.354 0.026 19413 16834 1 20 . 1 1 81 81 LEU CA C 81 54.582 54.582 55.429 -0.847 19413 16835 1 20 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.721 0.491 19413 16836 1 20 . 1 1 81 81 LEU H H 81 8.469 8.469 7.785 0.684 19413 16837 1 20 . 1 1 82 82 GLY N N 82 112.196 112.196 108.039 4.157 19413 16838 1 20 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.349 1.609 19413 16839 1 20 . 1 1 82 82 GLY H H 82 7.955 7.955 8.042 -0.087 19413 16840 1 20 . 1 1 83 83 VAL N N 83 109.426 109.426 113.436 -4.010 19413 16841 1 20 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.455 0.466 19413 16842 1 20 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.181 -1.000 19413 16843 1 20 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.642 -1.201 19413 16844 1 20 . 1 1 83 83 VAL H H 83 8.267 8.267 7.793 0.474 19413 16845 1 20 . 1 1 84 84 GLU N N 84 127.081 127.081 122.161 4.920 19413 16846 1 20 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.612 -0.028 19413 16847 1 20 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.526 0.830 19413 16848 1 20 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.252 0.718 19413 16849 1 20 . 1 1 84 84 GLU H H 84 10.566 10.566 8.454 2.112 19413 16850 1 20 . 1 1 85 85 ASP N N 85 117.467 117.467 118.423 -0.956 19413 16851 1 20 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.419 0.168 19413 16852 1 20 . 1 1 85 85 ASP CA C 85 56.279 56.279 57.385 -1.106 19413 16853 1 20 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.196 -0.464 19413 16854 1 20 . 1 1 85 85 ASP H H 85 8.946 8.946 8.771 0.175 19413 16855 1 20 . 1 1 86 86 LYS N N 86 119.121 119.121 118.281 0.840 19413 16856 1 20 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.167 0.252 19413 16857 1 20 . 1 1 86 86 LYS CA C 86 57.179 57.179 58.116 -0.937 19413 16858 1 20 . 1 1 86 86 LYS CB C 86 33.426 33.426 32.405 1.021 19413 16859 1 20 . 1 1 86 86 LYS H H 86 7.745 7.745 7.503 0.242 19413 16860 1 20 . 1 1 87 87 ILE N N 87 108.193 108.193 110.752 -2.559 19413 16861 1 20 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.552 -0.314 19413 16862 1 20 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.344 -1.024 19413 16863 1 20 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.264 1.736 19413 16864 1 20 . 1 1 87 87 ILE H H 87 7.343 7.343 7.703 -0.360 19413 16865 1 20 . 1 1 88 88 THR N N 88 119.455 119.455 118.560 0.895 19413 16866 1 20 . 1 1 88 88 THR HA H 88 4.053 4.053 4.387 -0.334 19413 16867 1 20 . 1 1 88 88 THR CA C 88 69.780 69.780 65.839 3.941 19413 16868 1 20 . 1 1 88 88 THR CB C 88 68.491 68.491 69.332 -0.841 19413 16869 1 20 . 1 1 88 88 THR H H 88 7.746 7.746 8.017 -0.271 19413 16870 1 20 . 1 1 89 89 ALA N N 89 123.122 123.122 124.034 -0.912 19413 16871 1 20 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.449 0.151 19413 16872 1 20 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.622 0.669 19413 16873 1 20 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.655 -1.458 19413 16874 1 20 . 1 1 89 89 ALA H H 89 9.125 9.125 7.793 1.332 19413 16875 1 20 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.328 0.088 19413 16876 1 20 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.523 -0.302 19413 16877 1 20 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.377 0.034 19413 16878 1 20 . 1 1 91 91 MET N N 91 119.468 119.468 117.659 1.809 19413 16879 1 20 . 1 1 91 91 MET HA H 91 4.370 4.370 4.247 0.123 19413 16880 1 20 . 1 1 91 91 MET CA C 91 56.901 56.901 59.419 -2.518 19413 16881 1 20 . 1 1 91 91 MET CB C 91 30.059 30.059 32.730 -2.671 19413 16882 1 20 . 1 1 91 91 MET H H 91 8.176 8.176 7.534 0.642 19413 16883 1 20 . 1 1 92 92 PHE N N 92 120.720 120.720 117.645 3.075 19413 16884 1 20 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.292 0.226 19413 16885 1 20 . 1 1 92 92 PHE CA C 92 63.883 63.883 59.751 4.132 19413 16886 1 20 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.485 0.839 19413 16887 1 20 . 1 1 92 92 PHE H H 92 8.650 8.650 8.646 0.004 19413 16888 1 20 . 1 1 93 93 GLU N N 93 117.705 117.705 119.977 -2.272 19413 16889 1 20 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.082 -0.016 19413 16890 1 20 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.715 -0.312 19413 16891 1 20 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.774 -0.132 19413 16892 1 20 . 1 1 93 93 GLU H H 93 8.240 8.240 8.592 -0.352 19413 16893 1 20 . 1 1 94 94 ALA N N 94 123.067 123.067 119.394 3.673 19413 16894 1 20 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.716 -0.265 19413 16895 1 20 . 1 1 94 94 ALA CA C 94 53.995 53.995 52.794 1.201 19413 16896 1 20 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.476 -0.473 19413 16897 1 20 . 1 1 94 94 ALA H H 94 8.431 8.431 7.848 0.583 19413 16898 1 20 . 1 1 95 95 VAL N N 95 115.582 115.582 117.330 -1.748 19413 16899 1 20 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.857 -0.135 19413 16900 1 20 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.319 1.485 19413 16901 1 20 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.699 -0.960 19413 16902 1 20 . 1 1 95 95 VAL H H 95 8.467 8.467 7.508 0.959 19413 16903 1 20 . 1 1 96 96 GLN N N 96 113.295 113.295 119.553 -6.258 19413 16904 1 20 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.179 0.372 19413 16905 1 20 . 1 1 96 96 GLN CA C 96 58.226 58.226 58.107 0.119 19413 16906 1 20 . 1 1 96 96 GLN CB C 96 30.679 30.679 29.561 1.118 19413 16907 1 20 . 1 1 96 96 GLN H H 96 8.184 8.184 8.350 -0.166 19413 16908 1 20 . 1 1 97 97 LYS N N 97 118.621 118.621 119.819 -1.198 19413 16909 1 20 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.131 0.556 19413 16910 1 20 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.359 -1.200 19413 16911 1 20 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.037 -0.495 19413 16912 1 20 . 1 1 97 97 LYS H H 97 8.231 8.231 7.616 0.615 19413 16913 1 20 . 1 1 98 98 THR N N 98 110.486 110.486 107.917 2.569 19413 16914 1 20 . 1 1 98 98 THR HA H 98 4.285 4.285 4.325 -0.040 19413 16915 1 20 . 1 1 98 98 THR CA C 98 62.420 62.420 62.127 0.293 19413 16916 1 20 . 1 1 98 98 THR CB C 98 68.343 68.343 70.019 -1.676 19413 16917 1 20 . 1 1 98 98 THR H H 98 8.612 8.612 7.989 0.623 19413 16918 1 20 . 1 1 99 99 GLN N N 99 115.751 115.751 115.915 -0.164 19413 16919 1 20 . 1 1 99 99 GLN HA H 99 4.185 4.185 3.979 0.206 19413 16920 1 20 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.070 -0.084 19413 16921 1 20 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.341 -0.718 19413 16922 1 20 . 1 1 99 99 GLN H H 99 6.979 6.979 8.127 -1.148 19413 16923 1 20 . 1 1 100 100 THR N N 100 108.660 108.660 114.298 -5.638 19413 16924 1 20 . 1 1 100 100 THR HA H 100 4.350 4.350 4.169 0.181 19413 16925 1 20 . 1 1 100 100 THR CA C 100 61.035 61.035 64.334 -3.299 19413 16926 1 20 . 1 1 100 100 THR CB C 100 68.306 68.306 69.422 -1.116 19413 16927 1 20 . 1 1 100 100 THR H H 100 8.362 8.362 7.950 0.412 19413 16928 1 20 . 1 1 101 101 VAL N N 101 121.417 121.417 122.765 -1.348 19413 16929 1 20 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.759 0.434 19413 16930 1 20 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.439 -2.472 19413 16931 1 20 . 1 1 101 101 VAL CB C 101 31.349 31.349 31.592 -0.243 19413 16932 1 20 . 1 1 101 101 VAL H H 101 7.376 7.376 7.975 -0.599 19413 16933 1 20 . 1 1 102 102 GLN N N 102 127.472 127.472 125.448 2.024 19413 16934 1 20 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.621 -0.057 19413 16935 1 20 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.836 -0.720 19413 16936 1 20 . 1 1 102 102 GLN CB C 102 30.768 30.768 32.185 -1.417 19413 16937 1 20 . 1 1 102 102 GLN H H 102 9.583 9.583 8.548 1.035 19413 16938 1 20 . 1 1 103 103 SER N N 103 116.698 116.698 113.652 3.046 19413 16939 1 20 . 1 1 103 103 SER HA H 103 4.883 4.883 4.702 0.181 19413 16940 1 20 . 1 1 103 103 SER CA C 103 56.423 56.423 55.596 0.827 19413 16941 1 20 . 1 1 103 103 SER CB C 103 66.834 66.834 64.219 2.615 19413 16942 1 20 . 1 1 103 103 SER H H 103 8.539 8.539 8.539 -0.000 19413 16943 1 20 . 1 1 104 104 VAL N N 104 120.375 120.375 123.228 -2.853 19413 16944 1 20 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.778 -0.038 19413 16945 1 20 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.422 -0.666 19413 16946 1 20 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.226 -0.297 19413 16947 1 20 . 1 1 104 104 VAL H H 104 8.929 8.929 9.002 -0.073 19413 16948 1 20 . 1 1 105 105 ALA N N 105 125.255 125.255 120.300 4.955 19413 16949 1 20 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.924 0.076 19413 16950 1 20 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.702 0.204 19413 16951 1 20 . 1 1 105 105 ALA CB C 105 18.053 18.053 18.325 -0.272 19413 16952 1 20 . 1 1 105 105 ALA H H 105 8.099 8.099 8.474 -0.375 19413 16953 1 20 . 1 1 106 106 ASP N N 106 118.317 118.317 116.724 1.593 19413 16954 1 20 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.686 -0.311 19413 16955 1 20 . 1 1 106 106 ASP CA C 106 56.664 56.664 55.896 0.768 19413 16956 1 20 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.937 0.830 19413 16957 1 20 . 1 1 106 106 ASP H H 106 7.603 7.603 8.057 -0.454 19413 16958 1 20 . 1 1 107 107 ILE N N 107 120.210 120.210 120.457 -0.247 19413 16959 1 20 . 1 1 107 107 ILE HA H 107 3.331 3.331 4.087 -0.756 19413 16960 1 20 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.348 1.261 19413 16961 1 20 . 1 1 107 107 ILE CB C 107 37.890 37.890 38.225 -0.335 19413 16962 1 20 . 1 1 107 107 ILE H H 107 7.342 7.342 7.634 -0.292 19413 16963 1 20 . 1 1 108 108 ARG N N 108 119.234 119.234 119.249 -0.015 19413 16964 1 20 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.307 -0.510 19413 16965 1 20 . 1 1 108 108 ARG CA C 108 58.656 58.656 59.427 -0.771 19413 16966 1 20 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.870 0.972 19413 16967 1 20 . 1 1 108 108 ARG H H 108 6.677 6.677 8.539 -1.862 19413 16968 1 20 . 1 1 109 109 LYS N N 109 117.662 117.662 120.505 -2.843 19413 16969 1 20 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.002 -0.156 19413 16970 1 20 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.494 -0.275 19413 16971 1 20 . 1 1 109 109 LYS CB C 109 31.974 31.974 32.116 -0.142 19413 16972 1 20 . 1 1 109 109 LYS H H 109 7.164 7.164 7.702 -0.538 19413 16973 1 20 . 1 1 110 110 VAL N N 110 118.257 118.257 119.159 -0.902 19413 16974 1 20 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.746 -0.105 19413 16975 1 20 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.419 -0.357 19413 16976 1 20 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.572 -0.348 19413 16977 1 20 . 1 1 110 110 VAL H H 110 7.269 7.269 7.538 -0.269 19413 16978 1 20 . 1 1 111 111 PHE N N 111 118.699 118.699 119.163 -0.464 19413 16979 1 20 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.134 -0.224 19413 16980 1 20 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.858 -1.378 19413 16981 1 20 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.600 -0.177 19413 16982 1 20 . 1 1 111 111 PHE H H 111 7.411 7.411 7.922 -0.511 19413 16983 1 20 . 1 1 112 112 VAL N N 112 121.527 121.527 119.272 2.255 19413 16984 1 20 . 1 1 112 112 VAL HA H 112 4.611 4.611 4.053 0.558 19413 16985 1 20 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.526 -0.807 19413 16986 1 20 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.560 -0.189 19413 16987 1 20 . 1 1 112 112 VAL H H 112 8.424 8.424 7.657 0.767 19413 16988 1 20 . 1 1 113 113 ASP N N 113 124.032 124.032 119.777 4.255 19413 16989 1 20 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.540 -0.093 19413 16990 1 20 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.480 0.198 19413 16991 1 20 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.655 -1.375 19413 16992 1 20 . 1 1 113 113 ASP H H 113 9.048 9.048 8.431 0.617 19413 16993 1 20 . 1 1 114 114 ALA N N 114 121.399 121.399 119.694 1.705 19413 16994 1 20 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.320 0.147 19413 16995 1 20 . 1 1 114 114 ALA CA C 114 51.878 51.878 53.047 -1.169 19413 16996 1 20 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.761 -1.148 19413 16997 1 20 . 1 1 114 114 ALA H H 114 7.505 7.505 8.002 -0.497 19413 16998 1 20 . 1 1 115 115 GLY N N 115 105.755 105.755 105.511 0.244 19413 16999 1 20 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.440 0.663 19413 17000 1 20 . 1 1 115 115 GLY H H 115 7.895 7.895 7.387 0.508 19413 17001 1 20 . 1 1 116 116 VAL N N 116 124.542 124.542 119.967 4.575 19413 17002 1 20 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.266 -0.246 19413 17003 1 20 . 1 1 116 116 VAL CA C 116 61.601 61.601 60.982 0.619 19413 17004 1 20 . 1 1 116 116 VAL CB C 116 31.739 31.739 34.371 -2.632 19413 17005 1 20 . 1 1 116 116 VAL H H 116 8.095 8.095 7.798 0.297 19413 17006 1 20 . 1 1 117 117 LYS N N 117 128.363 128.363 127.827 0.536 19413 17007 1 20 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.187 -0.004 19413 17008 1 20 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.186 -0.101 19413 17009 1 20 . 1 1 117 117 LYS CB C 117 31.812 31.812 33.234 -1.422 19413 17010 1 20 . 1 1 117 117 LYS H H 117 9.102 9.102 8.967 0.135 19413 17011 1 20 . 1 1 118 118 GLY N N 118 116.049 116.049 113.206 2.843 19413 17012 1 20 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.702 0.966 19413 17013 1 20 . 1 1 118 118 GLY H H 118 9.300 9.300 8.759 0.541 19413 17014 1 20 . 1 1 119 119 GLU N N 119 118.512 118.512 119.967 -1.455 19413 17015 1 20 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.142 0.084 19413 17016 1 20 . 1 1 119 119 GLU CA C 119 59.523 59.523 59.231 0.292 19413 17017 1 20 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.275 -0.462 19413 17018 1 20 . 1 1 119 119 GLU H H 119 9.501 9.501 8.835 0.666 19413 17019 1 20 . 1 1 120 120 ASP N N 120 121.262 121.262 120.832 0.430 19413 17020 1 20 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.512 0.067 19413 17021 1 20 . 1 1 120 120 ASP CA C 120 56.559 56.559 57.079 -0.520 19413 17022 1 20 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.332 -1.700 19413 17023 1 20 . 1 1 120 120 ASP H H 120 7.088 7.088 7.571 -0.483 19413 17024 1 20 . 1 1 121 121 TYR N N 121 123.619 123.619 121.672 1.947 19413 17025 1 20 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.033 -0.311 19413 17026 1 20 . 1 1 121 121 TYR CA C 121 62.151 62.151 62.013 0.138 19413 17027 1 20 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.364 -0.361 19413 17028 1 20 . 1 1 121 121 TYR H H 121 7.986 7.986 8.460 -0.474 19413 17029 1 20 . 1 1 122 122 ASP N N 122 119.702 119.702 118.482 1.220 19413 17030 1 20 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.464 -0.210 19413 17031 1 20 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.894 0.228 19413 17032 1 20 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.803 -1.192 19413 17033 1 20 . 1 1 122 122 ASP H H 122 8.812 8.812 8.272 0.540 19413 17034 1 20 . 1 1 123 123 ALA N N 123 121.138 121.138 121.662 -0.524 19413 17035 1 20 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.273 -0.047 19413 17036 1 20 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.764 -0.534 19413 17037 1 20 . 1 1 123 123 ALA CB C 123 18.126 18.126 18.673 -0.547 19413 17038 1 20 . 1 1 123 123 ALA H H 123 7.696 7.696 7.666 0.030 19413 17039 1 20 . 1 1 124 124 ALA N N 124 120.299 120.299 122.142 -1.843 19413 17040 1 20 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.078 0.028 19413 17041 1 20 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.762 -0.436 19413 17042 1 20 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.143 0.422 19413 17043 1 20 . 1 1 124 124 ALA H H 124 7.935 7.935 8.384 -0.449 19413 17044 1 20 . 1 1 125 125 TRP N N 125 121.357 121.357 120.935 0.422 19413 17045 1 20 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.129 -0.653 19413 17046 1 20 . 1 1 125 125 TRP CA C 125 61.463 61.463 61.009 0.454 19413 17047 1 20 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.601 -1.224 19413 17048 1 20 . 1 1 125 125 TRP H H 125 8.948 8.948 8.466 0.482 19413 17049 1 20 . 1 1 126 126 ASN N N 126 110.817 110.817 111.607 -0.790 19413 17050 1 20 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.649 0.194 19413 17051 1 20 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.785 -0.263 19413 17052 1 20 . 1 1 126 126 ASN CB C 126 40.070 40.070 38.628 1.442 19413 17053 1 20 . 1 1 126 126 ASN H H 126 7.024 7.024 7.814 -0.790 19413 17054 1 20 . 1 1 127 127 SER N N 127 116.650 116.650 116.182 0.468 19413 17055 1 20 . 1 1 127 127 SER HA H 127 4.472 4.472 4.494 -0.022 19413 17056 1 20 . 1 1 127 127 SER CA C 127 58.535 58.535 57.523 1.012 19413 17057 1 20 . 1 1 127 127 SER CB C 127 65.513 65.513 64.924 0.590 19413 17058 1 20 . 1 1 127 127 SER H H 127 7.831 7.831 7.748 0.083 19413 17059 1 20 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.255 0.023 19413 17060 1 20 . 1 1 128 128 PHE CA C 128 61.055 61.055 61.033 0.022 19413 17061 1 20 . 1 1 128 128 PHE CB C 128 38.368 38.368 39.261 -0.893 19413 17062 1 20 . 1 1 129 129 VAL N N 129 120.058 120.058 118.736 1.322 19413 17063 1 20 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.605 0.109 19413 17064 1 20 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.724 -1.052 19413 17065 1 20 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.462 0.317 19413 17066 1 20 . 1 1 129 129 VAL H H 129 8.340 8.340 7.628 0.712 19413 17067 1 20 . 1 1 130 130 VAL N N 130 122.552 122.552 119.298 3.254 19413 17068 1 20 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.549 -0.038 19413 17069 1 20 . 1 1 130 130 VAL CA C 130 66.834 66.834 67.124 -0.290 19413 17070 1 20 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.216 0.008 19413 17071 1 20 . 1 1 130 130 VAL H H 130 7.163 7.163 7.580 -0.417 19413 17072 1 20 . 1 1 131 131 LYS N N 131 122.079 122.079 119.285 2.794 19413 17073 1 20 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.728 0.028 19413 17074 1 20 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.501 0.233 19413 17075 1 20 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.448 0.070 19413 17076 1 20 . 1 1 131 131 LYS H H 131 7.852 7.852 7.526 0.326 19413 17077 1 20 . 1 1 132 132 SER N N 132 115.836 115.836 115.256 0.580 19413 17078 1 20 . 1 1 132 132 SER HA H 132 4.155 4.155 4.158 -0.003 19413 17079 1 20 . 1 1 132 132 SER CA C 132 61.022 61.022 61.144 -0.122 19413 17080 1 20 . 1 1 132 132 SER CB C 132 62.309 62.309 63.220 -0.911 19413 17081 1 20 . 1 1 132 132 SER H H 132 8.258 8.258 8.228 0.030 19413 17082 1 20 . 1 1 133 133 LEU N N 133 124.754 124.754 123.093 1.661 19413 17083 1 20 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.943 0.254 19413 17084 1 20 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.939 -0.375 19413 17085 1 20 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.180 1.981 19413 17086 1 20 . 1 1 133 133 LEU H H 133 8.140 8.140 8.192 -0.052 19413 17087 1 20 . 1 1 134 134 VAL N N 134 123.461 123.461 118.383 5.078 19413 17088 1 20 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.653 -0.372 19413 17089 1 20 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.726 2.131 19413 17090 1 20 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.369 -0.513 19413 17091 1 20 . 1 1 134 134 VAL H H 134 8.718 8.718 8.484 0.234 19413 17092 1 20 . 1 1 135 135 ALA N N 135 121.739 121.739 119.089 2.650 19413 17093 1 20 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.988 0.176 19413 17094 1 20 . 1 1 135 135 ALA CA C 135 54.929 54.929 54.877 0.052 19413 17095 1 20 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.003 -0.577 19413 17096 1 20 . 1 1 135 135 ALA H H 135 7.513 7.513 8.013 -0.500 19413 17097 1 20 . 1 1 136 136 GLN N N 136 119.033 119.033 117.970 1.063 19413 17098 1 20 . 1 1 136 136 GLN HA H 136 4.076 4.076 4.088 -0.012 19413 17099 1 20 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.343 0.766 19413 17100 1 20 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.711 0.374 19413 17101 1 20 . 1 1 136 136 GLN H H 136 8.473 8.473 7.867 0.606 19413 17102 1 20 . 1 1 137 137 GLN N N 137 119.734 119.734 118.170 1.564 19413 17103 1 20 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.378 -0.866 19413 17104 1 20 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.171 1.711 19413 17105 1 20 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.759 2.084 19413 17106 1 20 . 1 1 137 137 GLN H H 137 7.995 7.995 7.814 0.181 19413 17107 1 20 . 1 1 138 138 GLU N N 138 121.309 121.309 121.202 0.107 19413 17108 1 20 . 1 1 138 138 GLU HA H 138 3.935 3.935 3.981 -0.046 19413 17109 1 20 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.652 -0.675 19413 17110 1 20 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.398 -0.433 19413 17111 1 20 . 1 1 138 138 GLU H H 138 8.291 8.291 8.411 -0.120 19413 17112 1 20 . 1 1 139 139 LYS N N 139 122.121 122.121 117.523 4.598 19413 17113 1 20 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.095 0.022 19413 17114 1 20 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.286 0.638 19413 17115 1 20 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.577 0.015 19413 17116 1 20 . 1 1 139 139 LYS H H 139 8.603 8.603 7.887 0.716 19413 17117 1 20 . 1 1 140 140 ALA N N 140 120.286 120.286 117.331 2.955 19413 17118 1 20 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.632 -0.222 19413 17119 1 20 . 1 1 140 140 ALA CA C 140 55.063 55.063 52.548 2.515 19413 17120 1 20 . 1 1 140 140 ALA CB C 140 18.446 18.446 20.601 -2.155 19413 17121 1 20 . 1 1 140 140 ALA H H 140 8.140 8.140 7.673 0.467 19413 17122 1 20 . 1 1 141 141 ALA N N 141 116.994 116.994 119.386 -2.392 19413 17123 1 20 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.229 -0.581 19413 17124 1 20 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.944 1.571 19413 17125 1 20 . 1 1 141 141 ALA CB C 141 18.001 18.001 21.081 -3.080 19413 17126 1 20 . 1 1 141 141 ALA H H 141 7.251 7.251 8.126 -0.875 19413 17127 1 20 . 1 1 142 142 ALA N N 142 121.272 121.272 119.034 2.238 19413 17128 1 20 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.407 -0.223 19413 17129 1 20 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.144 2.513 19413 17130 1 20 . 1 1 142 142 ALA CB C 142 18.217 18.217 18.882 -0.665 19413 17131 1 20 . 1 1 142 142 ALA H H 142 7.940 7.940 8.102 -0.162 19413 17132 1 20 . 1 1 143 143 ASP N N 143 121.599 121.599 120.116 1.483 19413 17133 1 20 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.444 -0.108 19413 17134 1 20 . 1 1 143 143 ASP CA C 143 56.975 56.975 56.416 0.559 19413 17135 1 20 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.532 -1.497 19413 17136 1 20 . 1 1 143 143 ASP H H 143 9.272 9.272 8.401 0.871 19413 17137 1 20 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.880 -0.769 19413 17138 1 20 . 1 1 144 144 LEU CA C 144 54.547 54.547 54.587 -0.040 19413 17139 1 20 . 1 1 144 144 LEU CB C 144 41.055 41.055 41.583 -0.528 19413 17140 1 20 . 1 1 145 145 GLN N N 145 116.940 116.940 117.845 -0.905 19413 17141 1 20 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.380 -0.628 19413 17142 1 20 . 1 1 145 145 GLN CA C 145 55.823 55.823 55.741 0.082 19413 17143 1 20 . 1 1 145 145 GLN CB C 145 26.132 26.132 28.740 -2.608 19413 17144 1 20 . 1 1 145 145 GLN H H 145 7.750 7.750 8.131 -0.381 19413 17145 1 20 . 1 1 146 146 LEU N N 146 119.399 119.399 123.221 -3.822 19413 17146 1 20 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.342 -0.456 19413 17147 1 20 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.749 0.564 19413 17148 1 20 . 1 1 146 146 LEU CB C 146 43.142 43.142 42.603 0.539 19413 17149 1 20 . 1 1 146 146 LEU H H 146 7.516 7.516 7.763 -0.247 19413 17150 1 20 . 1 1 147 147 GLN N N 147 123.118 123.118 116.072 7.046 19413 17151 1 20 . 1 1 147 147 GLN HA H 147 4.147 4.147 3.841 0.306 19413 17152 1 20 . 1 1 147 147 GLN CA C 147 54.867 54.867 56.277 -1.410 19413 17153 1 20 . 1 1 147 147 GLN CB C 147 30.525 30.525 27.256 3.269 19413 17154 1 20 . 1 1 147 147 GLN H H 147 8.895 8.895 8.151 0.744 19413 17155 1 20 . 1 1 148 148 GLY N N 148 106.555 106.555 105.873 0.682 19413 17156 1 20 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.972 0.132 19413 17157 1 20 . 1 1 148 148 GLY H H 148 7.275 7.275 7.816 -0.541 19413 17158 1 20 . 1 1 149 149 VAL N N 149 110.030 110.030 116.547 -6.517 19413 17159 1 20 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.675 -0.204 19413 17160 1 20 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.673 -1.036 19413 17161 1 20 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.720 1.962 19413 17162 1 20 . 1 1 149 149 VAL H H 149 8.267 8.267 8.381 -0.114 19413 17163 1 20 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.990 -0.180 19413 17164 1 20 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.386 -0.242 19413 17165 1 20 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.888 2.038 19413 17166 1 20 . 1 1 151 151 ALA N N 151 123.567 123.567 121.485 2.082 19413 17167 1 20 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.717 0.168 19413 17168 1 20 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.406 0.219 19413 17169 1 20 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.906 1.941 19413 17170 1 20 . 1 1 151 151 ALA H H 151 8.249 8.249 8.964 -0.715 19413 17171 1 20 . 1 1 152 152 MET N N 152 121.866 121.866 123.167 -1.301 19413 17172 1 20 . 1 1 152 152 MET HA H 152 5.724 5.724 5.268 0.456 19413 17173 1 20 . 1 1 152 152 MET CA C 152 55.487 55.487 54.322 1.165 19413 17174 1 20 . 1 1 152 152 MET CB C 152 36.830 36.830 34.998 1.833 19413 17175 1 20 . 1 1 152 152 MET H H 152 8.610 8.610 8.705 -0.095 19413 17176 1 20 . 1 1 153 153 TYR N N 153 124.782 124.782 126.119 -1.337 19413 17177 1 20 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.367 0.387 19413 17178 1 20 . 1 1 153 153 TYR CA C 153 56.208 56.208 57.913 -1.705 19413 17179 1 20 . 1 1 153 153 TYR CB C 153 42.990 42.990 39.885 3.105 19413 17180 1 20 . 1 1 153 153 TYR H H 153 9.685 9.685 9.310 0.375 19413 17181 1 20 . 1 1 154 154 VAL N N 154 121.914 121.914 120.807 1.107 19413 17182 1 20 . 1 1 154 154 VAL CB C 154 34.660 34.660 35.312 -0.652 19413 17183 1 20 . 1 1 154 154 VAL H H 154 9.441 9.441 8.827 0.614 19413 17184 1 20 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.328 0.411 19413 17185 1 20 . 1 1 155 155 ASN CA C 155 54.473 54.473 54.429 0.044 19413 17186 1 20 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.246 -1.092 19413 17187 1 20 . 1 1 156 156 GLY N N 156 106.059 106.059 102.623 3.436 19413 17188 1 20 . 1 1 156 156 GLY CA C 156 46.186 46.186 45.831 0.355 19413 17189 1 20 . 1 1 156 156 GLY H H 156 9.354 9.354 8.662 0.692 19413 17190 1 20 . 1 1 157 157 LYS N N 157 114.357 114.357 115.385 -1.028 19413 17191 1 20 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.471 0.081 19413 17192 1 20 . 1 1 157 157 LYS CA C 157 56.755 56.755 55.866 0.889 19413 17193 1 20 . 1 1 157 157 LYS CB C 157 36.788 36.788 34.748 2.040 19413 17194 1 20 . 1 1 157 157 LYS H H 157 7.877 7.877 8.006 -0.129 19413 17195 1 20 . 1 1 158 158 TYR N N 158 117.900 117.900 119.827 -1.927 19413 17196 1 20 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.603 0.261 19413 17197 1 20 . 1 1 158 158 TYR CA C 158 54.856 54.856 56.299 -1.443 19413 17198 1 20 . 1 1 158 158 TYR CB C 158 42.879 42.879 42.467 0.412 19413 17199 1 20 . 1 1 158 158 TYR H H 158 7.876 7.876 8.444 -0.568 19413 17200 1 20 . 1 1 159 159 GLN N N 159 125.094 125.094 120.068 5.026 19413 17201 1 20 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.156 -0.403 19413 17202 1 20 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.877 -0.471 19413 17203 1 20 . 1 1 159 159 GLN CB C 159 31.849 31.849 33.440 -1.591 19413 17204 1 20 . 1 1 159 159 GLN H H 159 9.701 9.701 9.123 0.578 19413 17205 1 20 . 1 1 160 160 LEU N N 160 131.941 131.941 124.938 7.003 19413 17206 1 20 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.245 -0.234 19413 17207 1 20 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.418 -1.423 19413 17208 1 20 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.426 -1.351 19413 17209 1 20 . 1 1 160 160 LEU H H 160 8.551 8.551 8.485 0.066 19413 17210 1 20 . 1 1 161 161 ASN N N 161 118.639 118.639 121.681 -3.042 19413 17211 1 20 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.237 0.259 19413 17212 1 20 . 1 1 161 161 ASN CA C 161 49.769 49.769 49.970 -0.201 19413 17213 1 20 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.452 -0.541 19413 17214 1 20 . 1 1 161 161 ASN H H 161 8.285 8.285 8.553 -0.268 19413 17215 1 20 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.844 -0.055 19413 17216 1 20 . 1 1 162 162 PRO CA C 162 64.774 64.774 65.112 -0.339 19413 17217 1 20 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.546 -0.368 19413 17218 1 20 . 1 1 163 163 GLN N N 163 116.006 116.006 116.381 -0.375 19413 17219 1 20 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.214 0.012 19413 17220 1 20 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.199 0.767 19413 17221 1 20 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.289 -0.313 19413 17222 1 20 . 1 1 163 163 GLN H H 163 8.086 8.086 8.362 -0.276 19413 17223 1 20 . 1 1 164 164 GLY N N 164 107.393 107.393 105.654 1.739 19413 17224 1 20 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.485 0.118 19413 17225 1 20 . 1 1 164 164 GLY H H 164 8.030 8.030 7.855 0.175 19413 17226 1 20 . 1 1 165 165 MET N N 165 119.802 119.802 119.666 0.136 19413 17227 1 20 . 1 1 165 165 MET HA H 165 4.636 4.636 4.762 -0.126 19413 17228 1 20 . 1 1 165 165 MET CA C 165 54.567 54.567 55.090 -0.523 19413 17229 1 20 . 1 1 165 165 MET CB C 165 34.464 34.464 35.521 -1.057 19413 17230 1 20 . 1 1 165 165 MET H H 165 7.451 7.451 7.961 -0.510 19413 17231 1 20 . 1 1 166 166 ASP N N 166 121.681 121.681 121.285 0.396 19413 17232 1 20 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.587 0.046 19413 17233 1 20 . 1 1 166 166 ASP CA C 166 54.181 54.181 55.129 -0.948 19413 17234 1 20 . 1 1 166 166 ASP CB C 166 40.653 40.653 40.880 -0.227 19413 17235 1 20 . 1 1 166 166 ASP H H 166 8.694 8.694 9.004 -0.310 19413 17236 1 20 . 1 1 167 167 THR N N 167 112.609 112.609 116.781 -4.172 19413 17237 1 20 . 1 1 167 167 THR HA H 167 4.224 4.224 4.711 -0.487 19413 17238 1 20 . 1 1 167 167 THR CA C 167 60.340 60.340 61.158 -0.818 19413 17239 1 20 . 1 1 167 167 THR CB C 167 68.416 68.416 69.189 -0.773 19413 17240 1 20 . 1 1 167 167 THR H H 167 7.860 7.860 8.189 -0.329 19413 17241 1 20 . 1 1 168 168 SER N N 168 118.936 118.936 117.192 1.744 19413 17242 1 20 . 1 1 168 168 SER HA H 168 4.158 4.158 4.496 -0.338 19413 17243 1 20 . 1 1 168 168 SER CA C 168 60.874 60.874 60.031 0.843 19413 17244 1 20 . 1 1 168 168 SER CB C 168 63.123 63.123 63.776 -0.653 19413 17245 1 20 . 1 1 168 168 SER H H 168 8.739 8.739 8.605 0.134 19413 17246 1 20 . 1 1 169 169 ASN N N 169 117.875 117.875 116.967 0.908 19413 17247 1 20 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.866 -0.093 19413 17248 1 20 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.011 -0.663 19413 17249 1 20 . 1 1 169 169 ASN CB C 169 40.692 40.692 39.562 1.130 19413 17250 1 20 . 1 1 169 169 ASN H H 169 7.341 7.341 8.197 -0.856 19413 17251 1 20 . 1 1 170 170 MET N N 170 123.431 123.431 117.231 6.200 19413 17252 1 20 . 1 1 170 170 MET HA H 170 4.600 4.600 4.035 0.565 19413 17253 1 20 . 1 1 170 170 MET CA C 170 57.233 57.233 58.918 -1.685 19413 17254 1 20 . 1 1 170 170 MET CB C 170 32.751 32.751 30.326 2.425 19413 17255 1 20 . 1 1 170 170 MET H H 170 9.186 9.186 8.368 0.818 19413 17256 1 20 . 1 1 171 171 ASP N N 171 120.825 120.825 119.902 0.923 19413 17257 1 20 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.441 0.052 19413 17258 1 20 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.578 -0.072 19413 17259 1 20 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.474 -1.686 19413 17260 1 20 . 1 1 171 171 ASP H H 171 8.232 8.232 8.208 0.024 19413 17261 1 20 . 1 1 172 172 VAL N N 172 122.666 122.666 118.964 3.702 19413 17262 1 20 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.679 0.099 19413 17263 1 20 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.530 0.009 19413 17264 1 20 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.812 0.043 19413 17265 1 20 . 1 1 172 172 VAL H H 172 7.872 7.872 7.806 0.066 19413 17266 1 20 . 1 1 173 173 PHE N N 173 121.872 121.872 121.462 0.410 19413 17267 1 20 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.354 0.026 19413 17268 1 20 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.216 0.248 19413 17269 1 20 . 1 1 173 173 PHE CB C 173 39.274 39.274 39.077 0.197 19413 17270 1 20 . 1 1 173 173 PHE H H 173 8.250 8.250 7.669 0.581 19413 17271 1 20 . 1 1 174 174 VAL N N 174 117.535 117.535 118.870 -1.335 19413 17272 1 20 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.093 -0.050 19413 17273 1 20 . 1 1 174 174 VAL CA C 174 66.903 66.903 66.126 0.777 19413 17274 1 20 . 1 1 174 174 VAL CB C 174 31.371 31.371 31.160 0.211 19413 17275 1 20 . 1 1 174 174 VAL H H 174 8.138 8.138 7.699 0.439 19413 17276 1 20 . 1 1 175 175 ALA N N 175 121.129 121.129 122.435 -1.306 19413 17277 1 20 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.887 0.239 19413 17278 1 20 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.109 -0.341 19413 17279 1 20 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.370 -0.355 19413 17280 1 20 . 1 1 175 175 ALA H H 175 7.396 7.396 8.125 -0.729 19413 17281 1 20 . 1 1 176 176 GLN N N 176 120.043 120.043 117.470 2.573 19413 17282 1 20 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.019 0.060 19413 17283 1 20 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.312 0.650 19413 17284 1 20 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.116 -1.067 19413 17285 1 20 . 1 1 176 176 GLN H H 176 8.721 8.721 7.737 0.984 19413 17286 1 20 . 1 1 177 177 TYR N N 177 127.981 127.981 123.029 4.952 19413 17287 1 20 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.895 -0.304 19413 17288 1 20 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.513 0.049 19413 17289 1 20 . 1 1 177 177 TYR CB C 177 37.978 37.978 37.923 0.055 19413 17290 1 20 . 1 1 177 177 TYR H H 177 9.002 9.002 8.439 0.563 19413 17291 1 20 . 1 1 178 178 ALA N N 178 119.796 119.796 119.186 0.610 19413 17292 1 20 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.970 0.060 19413 17293 1 20 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.487 -0.082 19413 17294 1 20 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.898 0.071 19413 17295 1 20 . 1 1 178 178 ALA H H 178 8.392 8.392 8.253 0.139 19413 17296 1 20 . 1 1 179 179 ASP N N 179 117.823 117.823 117.227 0.596 19413 17297 1 20 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.308 0.111 19413 17298 1 20 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.338 -0.042 19413 17299 1 20 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.725 1.078 19413 17300 1 20 . 1 1 179 179 ASP H H 179 8.379 8.379 7.763 0.616 19413 17301 1 20 . 1 1 180 180 THR N N 180 117.846 117.846 116.736 1.110 19413 17302 1 20 . 1 1 180 180 THR HA H 180 4.179 4.179 3.898 0.281 19413 17303 1 20 . 1 1 180 180 THR CA C 180 67.378 67.378 66.906 0.472 19413 17304 1 20 . 1 1 180 180 THR CB C 180 67.733 67.733 68.454 -0.721 19413 17305 1 20 . 1 1 180 180 THR H H 180 8.255 8.255 7.911 0.344 19413 17306 1 20 . 1 1 181 181 VAL N N 181 120.101 120.101 120.861 -0.760 19413 17307 1 20 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.514 -0.333 19413 17308 1 20 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.956 0.824 19413 17309 1 20 . 1 1 181 181 VAL CB C 181 30.931 30.931 30.965 -0.034 19413 17310 1 20 . 1 1 181 181 VAL H H 181 7.772 7.772 7.612 0.160 19413 17311 1 20 . 1 1 182 182 LYS N N 182 119.144 119.144 118.431 0.713 19413 17312 1 20 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.939 -0.309 19413 17313 1 20 . 1 1 182 182 LYS CA C 182 60.361 60.361 58.962 1.399 19413 17314 1 20 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.912 0.368 19413 17315 1 20 . 1 1 182 182 LYS H H 182 7.758 7.758 7.596 0.162 19413 17316 1 20 . 1 1 183 183 GLN N N 183 116.269 116.269 117.365 -1.096 19413 17317 1 20 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.043 -0.058 19413 17318 1 20 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.357 0.926 19413 17319 1 20 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.756 0.567 19413 17320 1 20 . 1 1 183 183 GLN H H 183 8.114 8.114 7.643 0.471 19413 17321 1 20 . 1 1 184 184 LEU N N 184 119.688 119.688 120.321 -0.633 19413 17322 1 20 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.730 -0.095 19413 17323 1 20 . 1 1 184 184 LEU CA C 184 57.041 57.041 57.086 -0.045 19413 17324 1 20 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.705 0.355 19413 17325 1 20 . 1 1 184 184 LEU H H 184 8.000 8.000 7.553 0.447 19413 17326 1 20 . 1 1 185 185 VAL N N 185 121.017 121.017 116.928 4.089 19413 17327 1 20 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.710 -0.198 19413 17328 1 20 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.302 0.440 19413 17329 1 20 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.684 -0.120 19413 17330 1 20 . 1 1 185 185 VAL H H 185 8.494 8.494 7.485 1.009 19413 17331 1 20 . 1 1 186 186 GLU N N 186 117.535 117.535 115.821 1.714 19413 17332 1 20 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.371 -0.251 19413 17333 1 20 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.306 0.853 19413 17334 1 20 . 1 1 186 186 GLU CB C 186 29.789 29.789 30.184 -0.395 19413 17335 1 20 . 1 1 186 186 GLU H H 186 7.541 7.541 7.413 0.128 19413 17336 1 20 . 1 1 187 187 LYS N N 187 121.929 121.929 121.421 0.508 19413 17337 1 20 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.346 -0.220 19413 17338 1 20 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.600 2.148 19413 17339 1 20 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.411 1.307 19413 17340 1 20 . 1 1 187 187 LYS H H 187 7.358 7.358 7.439 -0.081 19413 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 168 3.339 -1.028 3.186 19413 2 1 1 "Average Difference" HA 195 0.395 -0.001 0.396 19413 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19413 4 1 1 "Average Difference" CA 184 1.299 -0.053 1.301 19413 5 1 1 "Average Difference" CB 174 2.000 -0.063 2.005 19413 6 1 1 "Average Difference" HN 168 0.656 -0.147 0.641 19413 7 1 2 "Average Difference" N 168 3.197 -0.832 3.096 19413 8 1 2 "Average Difference" HA 195 0.356 -0.020 0.356 19413 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19413 10 1 2 "Average Difference" CA 184 1.312 0.036 1.315 19413 11 1 2 "Average Difference" CB 174 1.898 -0.081 1.902 19413 12 1 2 "Average Difference" HN 168 0.642 -0.163 0.623 19413 13 1 3 "Average Difference" N 168 3.242 -0.856 3.136 19413 14 1 3 "Average Difference" HA 195 0.360 -0.015 0.361 19413 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19413 16 1 3 "Average Difference" CA 184 1.185 0.058 1.186 19413 17 1 3 "Average Difference" CB 174 1.927 -0.112 1.929 19413 18 1 3 "Average Difference" HN 168 0.664 -0.177 0.642 19413 19 1 4 "Average Difference" N 168 3.223 -0.962 3.085 19413 20 1 4 "Average Difference" HA 195 0.358 0.003 0.359 19413 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19413 22 1 4 "Average Difference" CA 184 1.390 -0.033 1.393 19413 23 1 4 "Average Difference" CB 174 2.024 -0.133 2.025 19413 24 1 4 "Average Difference" HN 168 0.649 -0.146 0.634 19413 25 1 5 "Average Difference" N 168 3.144 -0.839 3.039 19413 26 1 5 "Average Difference" HA 195 0.362 -0.012 0.362 19413 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19413 28 1 5 "Average Difference" CA 184 1.259 0.055 1.261 19413 29 1 5 "Average Difference" CB 174 1.966 -0.108 1.968 19413 30 1 5 "Average Difference" HN 168 0.642 -0.141 0.628 19413 31 1 6 "Average Difference" N 168 3.096 -0.926 2.963 19413 32 1 6 "Average Difference" HA 195 0.350 -0.007 0.351 19413 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19413 34 1 6 "Average Difference" CA 184 1.218 0.036 1.221 19413 35 1 6 "Average Difference" CB 174 1.882 -0.044 1.887 19413 36 1 6 "Average Difference" HN 168 0.607 -0.143 0.592 19413 37 1 7 "Average Difference" N 168 3.311 -1.103 3.131 19413 38 1 7 "Average Difference" HA 195 0.366 0.031 0.365 19413 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19413 40 1 7 "Average Difference" CA 184 1.483 -0.103 1.483 19413 41 1 7 "Average Difference" CB 174 1.977 -0.046 1.982 19413 42 1 7 "Average Difference" HN 168 0.682 -0.202 0.653 19413 43 1 8 "Average Difference" N 168 3.038 -0.679 2.970 19413 44 1 8 "Average Difference" HA 195 0.343 0.003 0.344 19413 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19413 46 1 8 "Average Difference" CA 184 1.324 -0.037 1.327 19413 47 1 8 "Average Difference" CB 174 1.983 -0.155 1.983 19413 48 1 8 "Average Difference" HN 168 0.625 -0.166 0.604 19413 49 1 9 "Average Difference" N 168 3.174 -0.819 3.076 19413 50 1 9 "Average Difference" HA 195 0.341 -0.004 0.342 19413 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19413 52 1 9 "Average Difference" CA 184 1.312 -0.050 1.315 19413 53 1 9 "Average Difference" CB 174 2.019 -0.138 2.020 19413 54 1 9 "Average Difference" HN 168 0.629 -0.154 0.611 19413 55 1 10 "Average Difference" N 168 3.262 -0.841 3.161 19413 56 1 10 "Average Difference" HA 195 0.328 -0.009 0.328 19413 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19413 58 1 10 "Average Difference" CA 184 1.162 0.006 1.165 19413 59 1 10 "Average Difference" CB 174 1.894 -0.100 1.897 19413 60 1 10 "Average Difference" HN 168 0.656 -0.120 0.646 19413 61 1 11 "Average Difference" N 168 3.301 -0.923 3.179 19413 62 1 11 "Average Difference" HA 195 0.383 0.000 0.384 19413 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19413 64 1 11 "Average Difference" CA 184 1.385 -0.068 1.387 19413 65 1 11 "Average Difference" CB 174 2.043 -0.061 2.048 19413 66 1 11 "Average Difference" HN 168 0.632 -0.124 0.622 19413 67 1 12 "Average Difference" N 168 3.383 -1.019 3.235 19413 68 1 12 "Average Difference" HA 195 0.348 -0.029 0.348 19413 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19413 70 1 12 "Average Difference" CA 184 1.259 0.042 1.262 19413 71 1 12 "Average Difference" CB 174 1.894 -0.126 1.895 19413 72 1 12 "Average Difference" HN 168 0.625 -0.150 0.609 19413 73 1 13 "Average Difference" N 168 3.164 -0.940 3.030 19413 74 1 13 "Average Difference" HA 195 0.322 -0.007 0.322 19413 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19413 76 1 13 "Average Difference" CA 184 1.219 0.031 1.222 19413 77 1 13 "Average Difference" CB 174 2.004 -0.109 2.007 19413 78 1 13 "Average Difference" HN 168 0.656 -0.136 0.643 19413 79 1 14 "Average Difference" N 168 3.344 -0.992 3.203 19413 80 1 14 "Average Difference" HA 195 0.335 -0.010 0.336 19413 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19413 82 1 14 "Average Difference" CA 184 1.222 0.016 1.225 19413 83 1 14 "Average Difference" CB 174 1.968 -0.046 1.973 19413 84 1 14 "Average Difference" HN 168 0.628 -0.148 0.612 19413 85 1 15 "Average Difference" N 168 3.213 -0.977 3.070 19413 86 1 15 "Average Difference" HA 195 0.342 0.004 0.343 19413 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19413 88 1 15 "Average Difference" CA 184 1.248 -0.002 1.251 19413 89 1 15 "Average Difference" CB 174 2.036 -0.085 2.040 19413 90 1 15 "Average Difference" HN 168 0.652 -0.164 0.632 19413 91 1 16 "Average Difference" N 168 3.388 -0.847 3.290 19413 92 1 16 "Average Difference" HA 195 0.365 0.014 0.366 19413 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19413 94 1 16 "Average Difference" CA 184 1.347 -0.129 1.345 19413 95 1 16 "Average Difference" CB 174 1.955 -0.074 1.959 19413 96 1 16 "Average Difference" HN 168 0.661 -0.166 0.641 19413 97 1 17 "Average Difference" N 168 3.366 -0.791 3.282 19413 98 1 17 "Average Difference" HA 195 0.341 -0.010 0.342 19413 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19413 100 1 17 "Average Difference" CA 184 1.398 -0.049 1.401 19413 101 1 17 "Average Difference" CB 174 2.036 -0.183 2.033 19413 102 1 17 "Average Difference" HN 168 0.653 -0.150 0.638 19413 103 1 18 "Average Difference" N 168 3.410 -0.983 3.275 19413 104 1 18 "Average Difference" HA 195 0.349 -0.007 0.350 19413 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19413 106 1 18 "Average Difference" CA 184 1.213 0.034 1.216 19413 107 1 18 "Average Difference" CB 174 1.996 -0.035 2.002 19413 108 1 18 "Average Difference" HN 168 0.656 -0.147 0.641 19413 109 1 19 "Average Difference" N 168 3.184 -0.866 3.073 19413 110 1 19 "Average Difference" HA 195 0.329 -0.007 0.330 19413 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19413 112 1 19 "Average Difference" CA 184 1.221 0.033 1.224 19413 113 1 19 "Average Difference" CB 174 1.911 -0.076 1.915 19413 114 1 19 "Average Difference" HN 168 0.642 -0.125 0.632 19413 115 1 20 "Average Difference" N 168 3.226 -1.024 3.069 19413 116 1 20 "Average Difference" HA 195 0.393 -0.003 0.394 19413 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19413 118 1 20 "Average Difference" CA 184 1.357 -0.035 1.360 19413 119 1 20 "Average Difference" CB 174 1.969 -0.048 1.974 19413 120 1 20 "Average Difference" HN 168 0.664 -0.145 0.650 19413 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 19413 _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 0 0 ASN HA H 0 4.771 4.771 4.658 0.113 19413 2 1 . 1 1 0 0 ASN CA C 0 53.288 53.288 53.379 -0.091 19413 3 1 . 1 1 0 0 ASN CB C 0 38.921 38.921 38.974 -0.053 19413 4 1 . 1 1 1 1 ALA N N 1 125.275 125.275 121.755 3.520 19413 5 1 . 1 1 1 1 ALA HA H 1 4.319 4.319 4.070 0.249 19413 6 1 . 1 1 1 1 ALA CA C 1 52.033 52.033 53.115 -1.082 19413 7 1 . 1 1 1 1 ALA CB C 1 19.124 19.124 17.860 1.264 19413 8 1 . 1 1 1 1 ALA H H 1 8.441 8.441 8.518 -0.077 19413 9 1 . 1 1 2 2 GLN N N 2 121.120 121.120 117.550 3.570 19413 10 1 . 1 1 2 2 GLN HA H 2 4.479 4.479 4.572 -0.093 19413 11 1 . 1 1 2 2 GLN CA C 2 55.413 55.413 55.356 0.057 19413 12 1 . 1 1 2 2 GLN CB C 2 29.494 29.494 31.309 -1.815 19413 13 1 . 1 1 2 2 GLN H H 2 8.334 8.334 8.043 0.291 19413 14 1 . 1 1 3 3 ILE N N 3 120.380 120.380 119.791 0.589 19413 15 1 . 1 1 3 3 ILE HA H 3 4.411 4.411 4.749 -0.338 19413 16 1 . 1 1 3 3 ILE CA C 3 60.793 60.793 59.623 1.170 19413 17 1 . 1 1 3 3 ILE CB C 3 39.691 39.691 40.439 -0.748 19413 18 1 . 1 1 3 3 ILE H H 3 8.197 8.197 8.161 0.036 19413 19 1 . 1 1 4 4 THR N N 4 120.223 120.223 117.700 2.523 19413 20 1 . 1 1 4 4 THR HA H 4 4.566 4.566 4.615 -0.049 19413 21 1 . 1 1 4 4 THR CA C 4 61.500 61.500 61.251 0.249 19413 22 1 . 1 1 4 4 THR CB C 4 71.727 71.727 71.322 0.405 19413 23 1 . 1 1 4 4 THR H H 4 9.119 9.119 8.492 0.627 19413 24 1 . 1 1 5 5 ASP N N 5 128.193 128.193 123.849 4.344 19413 25 1 . 1 1 5 5 ASP HA H 5 3.146 3.146 3.134 0.013 19413 26 1 . 1 1 5 5 ASP CA C 5 55.349 55.349 54.695 0.654 19413 27 1 . 1 1 5 5 ASP CB C 5 41.001 41.001 40.216 0.785 19413 28 1 . 1 1 5 5 ASP H H 5 8.510 8.510 8.532 -0.022 19413 29 1 . 1 1 6 6 GLY N N 6 117.400 117.400 113.393 4.007 19413 30 1 . 1 1 6 6 GLY CA C 6 44.982 44.982 45.689 -0.707 19413 31 1 . 1 1 6 6 GLY H H 6 8.608 8.608 8.565 0.044 19413 32 1 . 1 1 7 7 LYS N N 7 122.122 122.122 120.721 1.401 19413 33 1 . 1 1 7 7 LYS HA H 7 4.602 4.602 4.412 0.190 19413 34 1 . 1 1 7 7 LYS CA C 7 56.664 56.664 57.098 -0.434 19413 35 1 . 1 1 7 7 LYS CB C 7 31.763 31.763 33.354 -1.591 19413 36 1 . 1 1 7 7 LYS H H 7 8.131 8.131 7.497 0.634 19413 37 1 . 1 1 8 8 GLN N N 8 115.920 115.920 115.628 0.292 19413 38 1 . 1 1 8 8 GLN HA H 8 4.129 4.129 4.546 -0.417 19413 39 1 . 1 1 8 8 GLN CA C 8 59.067 59.067 57.086 1.981 19413 40 1 . 1 1 8 8 GLN CB C 8 27.086 27.086 30.526 -3.440 19413 41 1 . 1 1 8 8 GLN H H 8 8.548 8.548 7.831 0.717 19413 42 1 . 1 1 9 9 TYR N N 9 112.118 112.118 114.194 -2.076 19413 43 1 . 1 1 9 9 TYR HA H 9 5.118 5.118 5.461 -0.343 19413 44 1 . 1 1 9 9 TYR CA C 9 54.738 54.738 55.741 -1.002 19413 45 1 . 1 1 9 9 TYR CB C 9 41.177 41.177 41.329 -0.152 19413 46 1 . 1 1 9 9 TYR H H 9 7.572 7.572 7.435 0.137 19413 47 1 . 1 1 10 10 ILE N N 10 119.488 119.488 118.647 0.841 19413 48 1 . 1 1 10 10 ILE HA H 10 4.581 4.581 4.568 0.013 19413 49 1 . 1 1 10 10 ILE CA C 10 58.998 58.998 58.625 0.373 19413 50 1 . 1 1 10 10 ILE CB C 10 42.003 42.003 41.477 0.526 19413 51 1 . 1 1 10 10 ILE H H 10 9.365 9.365 9.157 0.208 19413 52 1 . 1 1 11 11 THR N N 11 126.054 126.054 117.669 8.385 19413 53 1 . 1 1 11 11 THR HA H 11 4.837 4.837 5.182 -0.345 19413 54 1 . 1 1 11 11 THR CA C 11 63.376 63.376 61.246 2.130 19413 55 1 . 1 1 11 11 THR CB C 11 68.487 68.487 70.157 -1.669 19413 56 1 . 1 1 11 11 THR H H 11 9.153 9.153 8.246 0.907 19413 57 1 . 1 1 12 12 LEU N N 12 129.370 129.370 123.686 5.684 19413 58 1 . 1 1 12 12 LEU HA H 12 4.249 4.249 4.497 -0.248 19413 59 1 . 1 1 12 12 LEU CA C 12 55.286 55.286 54.582 0.704 19413 60 1 . 1 1 12 12 LEU CB C 12 41.506 41.506 42.953 -1.447 19413 61 1 . 1 1 12 12 LEU H H 12 8.636 8.636 8.314 0.322 19413 62 1 . 1 1 13 13 ASP N N 13 122.179 122.179 121.747 0.432 19413 63 1 . 1 1 13 13 ASP HA H 13 4.438 4.438 4.514 -0.076 19413 64 1 . 1 1 13 13 ASP CA C 13 55.724 55.724 55.889 -0.165 19413 65 1 . 1 1 13 13 ASP CB C 13 40.885 40.885 41.381 -0.496 19413 66 1 . 1 1 13 13 ASP H H 13 8.494 8.494 8.448 0.046 19413 67 1 . 1 1 14 14 LYS N N 14 119.361 119.361 119.815 -0.454 19413 68 1 . 1 1 14 14 LYS HA H 14 4.762 4.762 4.673 0.089 19413 69 1 . 1 1 14 14 LYS CA C 14 52.487 52.487 53.812 -1.325 19413 70 1 . 1 1 14 14 LYS CB C 14 32.903 32.903 33.358 -0.455 19413 71 1 . 1 1 14 14 LYS H H 14 7.714 7.714 8.126 -0.412 19413 72 1 . 1 1 15 15 PRO HA H 15 4.603 4.603 4.501 0.102 19413 73 1 . 1 1 15 15 PRO CA C 15 62.261 62.261 62.879 -0.618 19413 74 1 . 1 1 15 15 PRO CB C 15 32.697 32.697 30.814 1.883 19413 75 1 . 1 1 16 16 ILE HA H 16 4.362 4.362 4.266 0.096 19413 76 1 . 1 1 16 16 ILE CA C 16 58.576 58.576 60.741 -2.165 19413 77 1 . 1 1 16 16 ILE CB C 16 38.242 38.242 39.982 -1.740 19413 78 1 . 1 1 17 17 ALA N N 17 130.287 130.287 128.244 2.043 19413 79 1 . 1 1 17 17 ALA HA H 17 4.348 4.348 4.299 0.049 19413 80 1 . 1 1 17 17 ALA CA C 17 52.651 52.651 52.776 -0.125 19413 81 1 . 1 1 17 17 ALA CB C 17 19.344 19.344 18.889 0.455 19413 82 1 . 1 1 17 17 ALA H H 17 8.396 8.396 8.423 -0.027 19413 83 1 . 1 1 18 18 GLY CA C 18 45.218 45.218 45.026 0.192 19413 84 1 . 1 1 20 20 PRO HA H 20 4.401 4.401 4.372 0.029 19413 85 1 . 1 1 20 20 PRO CA C 20 63.392 63.392 62.988 0.404 19413 86 1 . 1 1 20 20 PRO CB C 20 31.678 31.678 32.172 -0.494 19413 87 1 . 1 1 23 23 LEU HA H 23 5.038 5.038 4.684 0.354 19413 88 1 . 1 1 23 23 LEU CA C 23 52.966 52.966 54.388 -1.421 19413 89 1 . 1 1 23 23 LEU CB C 23 46.113 46.113 46.226 -0.113 19413 90 1 . 1 1 24 24 GLU N N 24 127.720 127.720 119.924 7.796 19413 91 1 . 1 1 24 24 GLU HA H 24 5.605 5.605 5.251 0.354 19413 92 1 . 1 1 24 24 GLU CA C 24 53.438 53.438 54.790 -1.352 19413 93 1 . 1 1 24 24 GLU CB C 24 33.704 33.704 33.012 0.692 19413 94 1 . 1 1 24 24 GLU H H 24 8.973 8.973 8.275 0.698 19413 95 1 . 1 1 25 25 PHE N N 25 121.108 121.108 120.840 0.268 19413 96 1 . 1 1 25 25 PHE HA H 25 6.066 6.066 5.397 0.669 19413 97 1 . 1 1 25 25 PHE CA C 25 55.945 55.945 56.961 -1.016 19413 98 1 . 1 1 25 25 PHE CB C 25 44.006 44.006 42.810 1.196 19413 99 1 . 1 1 25 25 PHE H H 25 9.266 9.266 8.809 0.457 19413 100 1 . 1 1 26 26 PHE N N 26 120.125 120.125 119.467 0.658 19413 101 1 . 1 1 26 26 PHE HA H 26 4.781 4.781 4.959 -0.178 19413 102 1 . 1 1 26 26 PHE CA C 26 54.838 54.838 56.269 -1.431 19413 103 1 . 1 1 26 26 PHE CB C 26 43.604 43.604 41.673 1.931 19413 104 1 . 1 1 26 26 PHE H H 26 8.957 8.957 8.464 0.493 19413 105 1 . 1 1 27 27 SER N N 27 109.643 109.643 113.745 -4.102 19413 106 1 . 1 1 27 27 SER HA H 27 3.584 3.584 4.205 -0.621 19413 107 1 . 1 1 27 27 SER CA C 27 54.556 54.556 55.461 -0.905 19413 108 1 . 1 1 27 27 SER CB C 27 64.711 64.711 65.454 -0.743 19413 109 1 . 1 1 27 27 SER H H 27 6.543 6.543 8.136 -1.593 19413 110 1 . 1 1 28 28 PHE N N 28 132.096 132.096 120.275 11.821 19413 111 1 . 1 1 28 28 PHE HA H 28 4.367 4.367 3.869 0.497 19413 112 1 . 1 1 28 28 PHE CA C 28 62.530 62.530 58.321 4.209 19413 113 1 . 1 1 28 28 PHE CB C 28 38.643 38.643 38.616 0.028 19413 114 1 . 1 1 28 28 PHE H H 28 11.199 11.199 8.650 2.549 19413 115 1 . 1 1 29 29 TYR N N 29 115.582 115.582 116.212 -0.630 19413 116 1 . 1 1 29 29 TYR HA H 29 4.369 4.369 4.530 -0.162 19413 117 1 . 1 1 29 29 TYR CA C 29 59.845 59.845 58.286 1.559 19413 118 1 . 1 1 29 29 TYR CB C 29 39.781 39.781 38.450 1.331 19413 119 1 . 1 1 29 29 TYR H H 29 8.619 8.619 7.808 0.811 19413 120 1 . 1 1 30 30 CYS N N 30 121.025 121.025 118.564 2.461 19413 121 1 . 1 1 30 30 CYS HA H 30 5.006 5.006 4.836 0.170 19413 122 1 . 1 1 30 30 CYS CA C 30 52.459 52.459 55.390 -2.930 19413 123 1 . 1 1 30 30 CYS CB C 30 46.378 46.378 27.672 18.706 19413 124 1 . 1 1 30 30 CYS H H 30 7.284 7.284 7.792 -0.508 19413 125 1 . 1 1 31 31 PRO HA H 31 5.077 5.077 4.636 0.441 19413 126 1 . 1 1 31 31 PRO CA C 31 65.973 65.973 64.723 1.250 19413 127 1 . 1 1 31 31 PRO CB C 31 32.208 32.208 32.398 -0.190 19413 128 1 . 1 1 32 32 HIS HA H 32 4.604 4.604 4.273 0.331 19413 129 1 . 1 1 32 32 HIS CA C 32 58.447 58.447 60.049 -1.602 19413 130 1 . 1 1 32 32 HIS CB C 32 30.054 30.054 28.511 1.543 19413 131 1 . 1 1 33 33 CYS N N 33 117.365 117.365 117.763 -0.398 19413 132 1 . 1 1 33 33 CYS HA H 33 4.539 4.539 4.185 0.354 19413 133 1 . 1 1 33 33 CYS CA C 33 63.192 63.192 62.305 0.887 19413 134 1 . 1 1 33 33 CYS CB C 33 33.843 33.843 25.899 7.945 19413 135 1 . 1 1 33 33 CYS H H 33 8.921 8.921 8.464 0.457 19413 136 1 . 1 1 34 34 TYR N N 34 123.491 123.491 121.256 2.235 19413 137 1 . 1 1 34 34 TYR HA H 34 2.762 2.762 3.975 -1.213 19413 138 1 . 1 1 34 34 TYR CA C 34 60.433 60.433 62.195 -1.762 19413 139 1 . 1 1 34 34 TYR CB C 34 37.485 37.485 38.244 -0.759 19413 140 1 . 1 1 34 34 TYR H H 34 7.650 7.650 7.780 -0.130 19413 141 1 . 1 1 35 35 GLN N N 35 118.639 118.639 117.160 1.479 19413 142 1 . 1 1 35 35 GLN HA H 35 3.712 3.712 3.927 -0.215 19413 143 1 . 1 1 35 35 GLN CA C 35 58.410 58.410 58.871 -0.461 19413 144 1 . 1 1 35 35 GLN CB C 35 27.933 27.933 28.237 -0.304 19413 145 1 . 1 1 35 35 GLN H H 35 7.641 7.641 8.083 -0.442 19413 146 1 . 1 1 36 36 PHE N N 36 121.254 121.254 116.835 4.419 19413 147 1 . 1 1 36 36 PHE HA H 36 4.030 4.030 4.255 -0.225 19413 148 1 . 1 1 36 36 PHE CA C 36 60.801 60.801 60.052 0.749 19413 149 1 . 1 1 36 36 PHE CB C 36 38.919 38.919 38.621 0.298 19413 150 1 . 1 1 36 36 PHE H H 36 8.721 8.721 8.504 0.217 19413 151 1 . 1 1 37 37 GLU N N 37 116.279 116.279 115.479 0.800 19413 152 1 . 1 1 37 37 GLU HA H 37 4.327 4.327 4.311 0.016 19413 153 1 . 1 1 37 37 GLU CA C 37 57.784 57.784 56.060 1.724 19413 154 1 . 1 1 37 37 GLU CB C 37 30.856 30.856 30.813 0.044 19413 155 1 . 1 1 37 37 GLU H H 37 7.705 7.705 7.606 0.099 19413 156 1 . 1 1 38 38 GLU N N 38 112.285 112.285 116.090 -3.805 19413 157 1 . 1 1 38 38 GLU HA H 38 4.006 4.006 3.966 0.040 19413 158 1 . 1 1 38 38 GLU CA C 38 55.578 55.578 56.814 -1.236 19413 159 1 . 1 1 38 38 GLU CB C 38 29.783 29.783 31.702 -1.919 19413 160 1 . 1 1 38 38 GLU H H 38 7.870 7.870 7.806 0.064 19413 161 1 . 1 1 39 39 VAL N N 39 117.365 117.365 118.794 -1.429 19413 162 1 . 1 1 39 39 VAL HA H 39 4.008 4.008 3.994 0.014 19413 163 1 . 1 1 39 39 VAL CA C 39 63.965 63.965 63.723 0.242 19413 164 1 . 1 1 39 39 VAL CB C 39 32.360 32.360 32.857 -0.497 19413 165 1 . 1 1 39 39 VAL H H 39 6.850 6.850 7.509 -0.659 19413 166 1 . 1 1 40 40 LEU N N 40 116.098 116.098 117.315 -1.216 19413 167 1 . 1 1 40 40 LEU HA H 40 4.093 4.093 4.092 0.001 19413 168 1 . 1 1 40 40 LEU CA C 40 55.099 55.099 55.634 -0.534 19413 169 1 . 1 1 40 40 LEU CB C 40 43.113 43.113 41.945 1.168 19413 170 1 . 1 1 40 40 LEU H H 40 8.171 8.171 7.883 0.288 19413 171 1 . 1 1 41 41 HIS N N 41 111.930 111.930 115.110 -3.180 19413 172 1 . 1 1 41 41 HIS HA H 41 4.506 4.506 4.266 0.240 19413 173 1 . 1 1 41 41 HIS CA C 41 55.467 55.467 56.950 -1.484 19413 174 1 . 1 1 41 41 HIS CB C 41 25.603 25.603 26.917 -1.314 19413 175 1 . 1 1 41 41 HIS H H 41 6.459 6.459 7.435 -0.976 19413 176 1 . 1 1 42 42 VAL N N 42 120.465 120.465 120.787 -0.322 19413 177 1 . 1 1 42 42 VAL HA H 42 3.028 3.028 3.498 -0.469 19413 178 1 . 1 1 42 42 VAL CA C 42 67.972 67.972 66.371 1.601 19413 179 1 . 1 1 42 42 VAL CB C 42 30.886 30.886 31.082 -0.196 19413 180 1 . 1 1 42 42 VAL H H 42 8.621 8.621 8.185 0.436 19413 181 1 . 1 1 43 43 SER N N 43 113.968 113.968 115.309 -1.341 19413 182 1 . 1 1 43 43 SER HA H 43 4.002 4.002 4.030 -0.028 19413 183 1 . 1 1 43 43 SER CA C 43 61.242 61.242 62.028 -0.786 19413 184 1 . 1 1 43 43 SER CB C 43 62.565 62.565 62.816 -0.251 19413 185 1 . 1 1 43 43 SER H H 43 8.040 8.040 8.008 0.032 19413 186 1 . 1 1 44 44 ASP N N 44 121.731 121.731 120.266 1.465 19413 187 1 . 1 1 44 44 ASP HA H 44 4.414 4.414 4.479 -0.065 19413 188 1 . 1 1 44 44 ASP CA C 44 57.232 57.232 56.538 0.694 19413 189 1 . 1 1 44 44 ASP CB C 44 41.032 41.032 40.767 0.265 19413 190 1 . 1 1 44 44 ASP H H 44 8.215 8.215 8.228 -0.013 19413 191 1 . 1 1 45 45 ASN N N 45 118.906 118.906 118.199 0.707 19413 192 1 . 1 1 45 45 ASN HA H 45 4.272 4.272 4.483 -0.211 19413 193 1 . 1 1 45 45 ASN CA C 45 57.322 57.322 56.113 1.209 19413 194 1 . 1 1 45 45 ASN CB C 45 39.627 39.627 38.998 0.629 19413 195 1 . 1 1 45 45 ASN H H 45 7.860 7.860 7.824 0.036 19413 196 1 . 1 1 46 46 VAL N N 46 119.934 119.934 119.322 0.612 19413 197 1 . 1 1 46 46 VAL HA H 46 3.465 3.465 3.707 -0.242 19413 198 1 . 1 1 46 46 VAL CA C 46 66.801 66.801 66.180 0.621 19413 199 1 . 1 1 46 46 VAL CB C 46 31.349 31.349 31.501 -0.152 19413 200 1 . 1 1 46 46 VAL H H 46 8.583 8.583 8.349 0.234 19413 201 1 . 1 1 47 47 ARG N N 47 119.655 119.655 120.141 -0.486 19413 202 1 . 1 1 47 47 ARG HA H 47 3.821 3.821 3.961 -0.140 19413 203 1 . 1 1 47 47 ARG CA C 47 59.802 59.802 59.401 0.401 19413 204 1 . 1 1 47 47 ARG CB C 47 30.338 30.338 29.763 0.575 19413 205 1 . 1 1 47 47 ARG H H 47 8.522 8.522 8.019 0.503 19413 206 1 . 1 1 48 48 GLN N N 48 115.072 115.072 117.282 -2.210 19413 207 1 . 1 1 48 48 GLN HA H 48 4.118 4.118 4.192 -0.074 19413 208 1 . 1 1 48 48 GLN CA C 48 57.729 57.729 57.952 -0.223 19413 209 1 . 1 1 48 48 GLN CB C 48 29.010 29.010 28.795 0.215 19413 210 1 . 1 1 48 48 GLN H H 48 7.605 7.605 7.845 -0.241 19413 211 1 . 1 1 49 49 LYS N N 49 116.858 116.858 116.120 0.738 19413 212 1 . 1 1 49 49 LYS HA H 49 4.422 4.422 4.500 -0.078 19413 213 1 . 1 1 49 49 LYS CA C 49 54.805 54.805 55.526 -0.721 19413 214 1 . 1 1 49 49 LYS CB C 49 33.648 33.648 34.040 -0.392 19413 215 1 . 1 1 49 49 LYS H H 49 7.460 7.460 7.962 -0.502 19413 216 1 . 1 1 50 50 LEU N N 50 119.786 119.786 123.074 -3.288 19413 217 1 . 1 1 50 50 LEU HA H 50 4.399 4.399 4.357 0.042 19413 218 1 . 1 1 50 50 LEU CA C 50 52.928 52.928 53.435 -0.507 19413 219 1 . 1 1 50 50 LEU CB C 50 40.954 40.954 41.854 -0.900 19413 220 1 . 1 1 50 50 LEU H H 50 7.215 7.215 7.417 -0.202 19413 221 1 . 1 1 51 51 PRO HA H 51 4.476 4.476 4.585 -0.109 19413 222 1 . 1 1 51 51 PRO CA C 51 62.272 62.272 62.153 0.119 19413 223 1 . 1 1 51 51 PRO CB C 51 31.454 31.454 32.464 -1.010 19413 224 1 . 1 1 52 52 GLU N N 52 126.400 126.400 120.070 6.330 19413 225 1 . 1 1 52 52 GLU HA H 52 4.100 4.100 4.180 -0.080 19413 226 1 . 1 1 52 52 GLU CA C 52 58.115 58.115 56.938 1.177 19413 227 1 . 1 1 52 52 GLU CB C 52 29.336 29.336 28.256 1.080 19413 228 1 . 1 1 52 52 GLU H H 52 8.935 8.935 8.689 0.246 19413 229 1 . 1 1 53 53 GLY N N 53 113.671 113.671 110.535 3.136 19413 230 1 . 1 1 53 53 GLY CA C 53 44.846 44.846 45.366 -0.520 19413 231 1 . 1 1 53 53 GLY H H 53 8.948 8.948 8.172 0.776 19413 232 1 . 1 1 54 54 THR N N 54 118.129 118.129 117.462 0.667 19413 233 1 . 1 1 54 54 THR HA H 54 4.161 4.161 4.158 0.003 19413 234 1 . 1 1 54 54 THR CA C 54 63.707 63.707 63.488 0.219 19413 235 1 . 1 1 54 54 THR CB C 54 68.784 68.784 69.039 -0.255 19413 236 1 . 1 1 54 54 THR H H 54 7.696 7.696 7.710 -0.014 19413 237 1 . 1 1 55 55 LYS N N 55 129.892 129.892 122.732 7.160 19413 238 1 . 1 1 55 55 LYS HA H 55 4.375 4.375 4.187 0.188 19413 239 1 . 1 1 55 55 LYS CA C 55 55.835 55.835 56.409 -0.574 19413 240 1 . 1 1 55 55 LYS CB C 55 33.448 33.448 32.749 0.699 19413 241 1 . 1 1 55 55 LYS H H 55 8.757 8.757 8.303 0.454 19413 242 1 . 1 1 56 56 MET N N 56 125.391 125.391 123.494 1.897 19413 243 1 . 1 1 56 56 MET HA H 56 5.258 5.258 4.522 0.736 19413 244 1 . 1 1 56 56 MET CA C 56 54.436 54.436 56.299 -1.863 19413 245 1 . 1 1 56 56 MET CB C 56 34.394 34.394 33.062 1.333 19413 246 1 . 1 1 56 56 MET H H 56 8.512 8.512 8.521 -0.009 19413 247 1 . 1 1 57 57 THR N N 57 124.711 124.711 118.308 6.403 19413 248 1 . 1 1 57 57 THR HA H 57 4.390 4.390 4.549 -0.159 19413 249 1 . 1 1 57 57 THR CA C 57 61.942 61.942 61.402 0.540 19413 250 1 . 1 1 57 57 THR CB C 57 70.952 70.952 70.657 0.295 19413 251 1 . 1 1 57 57 THR H H 57 8.830 8.830 8.314 0.516 19413 252 1 . 1 1 58 58 LYS N N 58 126.113 126.113 122.939 3.174 19413 253 1 . 1 1 58 58 LYS HA H 58 5.282 5.282 4.931 0.352 19413 254 1 . 1 1 58 58 LYS CA C 58 54.501 54.501 56.425 -1.924 19413 255 1 . 1 1 58 58 LYS CB C 58 35.417 35.417 34.581 0.836 19413 256 1 . 1 1 58 58 LYS H H 58 8.739 8.739 8.577 0.162 19413 257 1 . 1 1 59 59 TYR N N 59 127.472 127.472 123.974 3.498 19413 258 1 . 1 1 59 59 TYR HA H 59 5.626 5.626 4.942 0.684 19413 259 1 . 1 1 59 59 TYR CA C 59 51.825 51.825 55.721 -3.895 19413 260 1 . 1 1 59 59 TYR CB C 59 40.685 40.685 40.487 0.198 19413 261 1 . 1 1 59 59 TYR H H 59 9.524 9.524 8.919 0.605 19413 262 1 . 1 1 60 60 HIS N N 60 123.656 123.656 118.058 5.598 19413 263 1 . 1 1 60 60 HIS HA H 60 4.384 4.384 4.867 -0.483 19413 264 1 . 1 1 60 60 HIS CA C 60 55.467 55.467 53.831 1.636 19413 265 1 . 1 1 60 60 HIS CB C 60 30.819 30.819 31.658 -0.839 19413 266 1 . 1 1 60 60 HIS H H 60 9.284 9.284 8.248 1.036 19413 267 1 . 1 1 61 61 VAL N N 61 112.397 112.397 116.105 -3.708 19413 268 1 . 1 1 61 61 VAL HA H 61 4.737 4.737 4.648 0.089 19413 269 1 . 1 1 61 61 VAL CA C 61 58.079 58.079 59.789 -1.710 19413 270 1 . 1 1 61 61 VAL CB C 61 33.885 33.885 35.073 -1.188 19413 271 1 . 1 1 61 61 VAL H H 61 6.262 6.262 7.891 -1.629 19413 272 1 . 1 1 62 62 GLU HA H 62 4.041 4.041 4.502 -0.461 19413 273 1 . 1 1 62 62 GLU CA C 62 56.328 56.328 56.733 -0.405 19413 274 1 . 1 1 62 62 GLU CB C 62 29.752 29.752 29.211 0.541 19413 275 1 . 1 1 63 63 PHE N N 63 111.215 111.215 120.143 -8.928 19413 276 1 . 1 1 63 63 PHE HA H 63 4.571 4.571 4.429 0.142 19413 277 1 . 1 1 63 63 PHE CA C 63 57.709 57.709 58.943 -1.234 19413 278 1 . 1 1 63 63 PHE CB C 63 37.605 37.605 39.775 -2.170 19413 279 1 . 1 1 63 63 PHE H H 63 6.419 6.419 8.049 -1.631 19413 280 1 . 1 1 64 64 LEU N N 64 119.701 119.701 119.637 0.064 19413 281 1 . 1 1 64 64 LEU HA H 64 4.695 4.695 4.266 0.429 19413 282 1 . 1 1 64 64 LEU CA C 64 53.812 53.812 54.635 -0.823 19413 283 1 . 1 1 64 64 LEU CB C 64 44.338 44.338 43.773 0.565 19413 284 1 . 1 1 64 64 LEU H H 64 6.396 6.396 7.622 -1.226 19413 285 1 . 1 1 65 65 GLY N N 65 108.957 108.957 108.547 0.410 19413 286 1 . 1 1 65 65 GLY CA C 65 43.178 43.178 43.787 -0.609 19413 287 1 . 1 1 65 65 GLY H H 65 8.084 8.084 7.958 0.126 19413 288 1 . 1 1 66 66 PRO HA H 66 4.411 4.411 4.260 0.151 19413 289 1 . 1 1 66 66 PRO CA C 66 64.995 64.995 64.734 0.261 19413 290 1 . 1 1 66 66 PRO CB C 66 31.791 31.791 32.102 -0.311 19413 291 1 . 1 1 67 67 LEU N N 67 114.479 114.479 118.773 -4.294 19413 292 1 . 1 1 67 67 LEU HA H 67 5.467 5.467 4.704 0.763 19413 293 1 . 1 1 67 67 LEU CA C 67 52.893 52.893 54.240 -1.347 19413 294 1 . 1 1 67 67 LEU CB C 67 40.438 40.438 40.901 -0.463 19413 295 1 . 1 1 67 67 LEU H H 67 7.484 7.484 8.059 -0.575 19413 296 1 . 1 1 68 68 GLY N N 68 108.957 108.957 109.417 -0.460 19413 297 1 . 1 1 68 68 GLY CA C 68 49.507 49.507 47.328 2.179 19413 298 1 . 1 1 68 68 GLY H H 68 7.659 7.659 7.979 -0.321 19413 299 1 . 1 1 69 69 LYS N N 69 124.459 124.459 120.930 3.528 19413 300 1 . 1 1 69 69 LYS HA H 69 4.046 4.046 4.119 -0.073 19413 301 1 . 1 1 69 69 LYS CA C 69 61.036 61.036 58.502 2.534 19413 302 1 . 1 1 69 69 LYS CB C 69 31.592 31.592 32.074 -0.482 19413 303 1 . 1 1 69 69 LYS H H 69 9.149 9.149 8.237 0.912 19413 304 1 . 1 1 70 70 ASP N N 70 122.631 122.631 119.963 2.668 19413 305 1 . 1 1 70 70 ASP HA H 70 4.715 4.715 4.552 0.163 19413 306 1 . 1 1 70 70 ASP CA C 70 57.895 57.895 57.704 0.191 19413 307 1 . 1 1 70 70 ASP CB C 70 42.157 42.157 40.796 1.361 19413 308 1 . 1 1 70 70 ASP H H 70 8.519 8.519 8.083 0.436 19413 309 1 . 1 1 71 71 LEU N N 71 119.276 119.276 120.277 -1.001 19413 310 1 . 1 1 71 71 LEU HA H 71 4.237 4.237 3.857 0.380 19413 311 1 . 1 1 71 71 LEU CA C 71 57.277 57.277 58.157 -0.880 19413 312 1 . 1 1 71 71 LEU CB C 71 43.077 43.077 41.506 1.571 19413 313 1 . 1 1 71 71 LEU H H 71 9.421 9.421 8.278 1.143 19413 314 1 . 1 1 72 72 THR N N 72 119.204 119.204 113.945 5.259 19413 315 1 . 1 1 72 72 THR HA H 72 4.033 4.033 3.586 0.447 19413 316 1 . 1 1 72 72 THR CA C 72 67.403 67.403 66.257 1.145 19413 317 1 . 1 1 72 72 THR CB C 72 68.170 68.170 68.140 0.030 19413 318 1 . 1 1 72 72 THR H H 72 7.762 7.762 7.862 -0.100 19413 319 1 . 1 1 73 73 GLN N N 73 125.845 125.845 121.184 4.661 19413 320 1 . 1 1 73 73 GLN HA H 73 3.663 3.663 3.813 -0.150 19413 321 1 . 1 1 73 73 GLN CA C 73 59.403 59.403 58.441 0.962 19413 322 1 . 1 1 73 73 GLN CB C 73 25.559 25.559 28.263 -2.704 19413 323 1 . 1 1 73 73 GLN H H 73 7.822 7.822 7.685 0.137 19413 324 1 . 1 1 74 74 ALA N N 74 123.013 123.013 122.376 0.637 19413 325 1 . 1 1 74 74 ALA HA H 74 4.133 4.133 4.154 -0.021 19413 326 1 . 1 1 74 74 ALA CA C 74 54.904 54.904 55.021 -0.117 19413 327 1 . 1 1 74 74 ALA CB C 74 19.150 19.150 18.299 0.851 19413 328 1 . 1 1 74 74 ALA H H 74 8.966 8.966 8.107 0.859 19413 329 1 . 1 1 75 75 TRP N N 75 120.717 120.717 120.108 0.609 19413 330 1 . 1 1 75 75 TRP HA H 75 4.899 4.899 4.397 0.502 19413 331 1 . 1 1 75 75 TRP CA C 75 59.072 59.072 60.344 -1.272 19413 332 1 . 1 1 75 75 TRP CB C 75 29.591 29.591 29.865 -0.274 19413 333 1 . 1 1 75 75 TRP H H 75 8.932 8.932 8.426 0.506 19413 334 1 . 1 1 76 76 ALA N N 76 119.394 119.394 121.073 -1.679 19413 335 1 . 1 1 76 76 ALA HA H 76 3.975 3.975 3.925 0.050 19413 336 1 . 1 1 76 76 ALA CA C 76 54.878 54.878 55.203 -0.325 19413 337 1 . 1 1 76 76 ALA CB C 76 20.165 20.165 18.018 2.147 19413 338 1 . 1 1 76 76 ALA H H 76 7.650 7.650 8.001 -0.351 19413 339 1 . 1 1 77 77 VAL N N 77 119.658 119.658 119.344 0.314 19413 340 1 . 1 1 77 77 VAL HA H 77 3.224 3.224 3.579 -0.355 19413 341 1 . 1 1 77 77 VAL CA C 77 66.908 66.908 66.482 0.426 19413 342 1 . 1 1 77 77 VAL CB C 77 30.117 30.117 31.287 -1.170 19413 343 1 . 1 1 77 77 VAL H H 77 8.074 8.074 7.539 0.535 19413 344 1 . 1 1 78 78 ALA N N 78 121.951 121.951 122.407 -0.456 19413 345 1 . 1 1 78 78 ALA HA H 78 4.024 4.024 4.129 -0.105 19413 346 1 . 1 1 78 78 ALA CA C 78 54.841 54.841 55.128 -0.287 19413 347 1 . 1 1 78 78 ALA CB C 78 17.499 17.499 18.041 -0.542 19413 348 1 . 1 1 78 78 ALA H H 78 8.421 8.421 7.582 0.839 19413 349 1 . 1 1 79 79 ILE N N 79 118.384 118.384 118.509 -0.125 19413 350 1 . 1 1 79 79 ILE HA H 79 3.616 3.616 3.681 -0.065 19413 351 1 . 1 1 79 79 ILE CA C 79 63.984 63.984 64.550 -0.566 19413 352 1 . 1 1 79 79 ILE CB C 79 38.196 38.196 37.787 0.409 19413 353 1 . 1 1 79 79 ILE H H 79 8.122 8.122 8.085 0.037 19413 354 1 . 1 1 80 80 ALA N N 80 124.708 124.708 121.466 3.242 19413 355 1 . 1 1 80 80 ALA HA H 80 3.978 3.978 4.118 -0.140 19413 356 1 . 1 1 80 80 ALA CA C 80 54.915 54.915 54.644 0.271 19413 357 1 . 1 1 80 80 ALA CB C 80 18.105 18.105 18.912 -0.807 19413 358 1 . 1 1 80 80 ALA H H 80 8.694 8.694 7.835 0.859 19413 359 1 . 1 1 81 81 LEU N N 81 114.303 114.303 116.633 -2.330 19413 360 1 . 1 1 81 81 LEU HA H 81 4.380 4.380 4.389 -0.009 19413 361 1 . 1 1 81 81 LEU CA C 81 54.582 54.582 54.726 -0.144 19413 362 1 . 1 1 81 81 LEU CB C 81 43.212 43.212 42.677 0.535 19413 363 1 . 1 1 81 81 LEU H H 81 8.469 8.469 7.681 0.788 19413 364 1 . 1 1 82 82 GLY N N 82 112.196 112.196 108.442 3.754 19413 365 1 . 1 1 82 82 GLY CA C 82 46.958 46.958 45.682 1.276 19413 366 1 . 1 1 82 82 GLY H H 82 7.955 7.955 7.761 0.194 19413 367 1 . 1 1 83 83 VAL N N 83 109.426 109.426 112.247 -2.821 19413 368 1 . 1 1 83 83 VAL HA H 83 4.921 4.921 4.461 0.460 19413 369 1 . 1 1 83 83 VAL CA C 83 59.182 59.182 60.706 -1.524 19413 370 1 . 1 1 83 83 VAL CB C 83 31.441 31.441 32.624 -1.183 19413 371 1 . 1 1 83 83 VAL H H 83 8.267 8.267 7.892 0.375 19413 372 1 . 1 1 84 84 GLU N N 84 127.081 127.081 123.397 3.684 19413 373 1 . 1 1 84 84 GLU HA H 84 3.584 3.584 3.713 -0.129 19413 374 1 . 1 1 84 84 GLU CA C 84 61.356 61.356 60.632 0.724 19413 375 1 . 1 1 84 84 GLU CB C 84 28.970 28.970 28.521 0.449 19413 376 1 . 1 1 84 84 GLU H H 84 10.566 10.566 8.487 2.079 19413 377 1 . 1 1 85 85 ASP N N 85 117.467 117.467 116.736 0.731 19413 378 1 . 1 1 85 85 ASP HA H 85 4.587 4.587 4.500 0.087 19413 379 1 . 1 1 85 85 ASP CA C 85 56.279 56.279 56.445 -0.166 19413 380 1 . 1 1 85 85 ASP CB C 85 39.732 39.732 40.105 -0.373 19413 381 1 . 1 1 85 85 ASP H H 85 8.946 8.946 8.794 0.152 19413 382 1 . 1 1 86 86 LYS N N 86 119.121 119.121 117.306 1.815 19413 383 1 . 1 1 86 86 LYS HA H 86 4.419 4.419 4.243 0.176 19413 384 1 . 1 1 86 86 LYS CA C 86 57.179 57.179 57.604 -0.425 19413 385 1 . 1 1 86 86 LYS CB C 86 33.426 33.426 33.298 0.128 19413 386 1 . 1 1 86 86 LYS H H 86 7.745 7.745 7.785 -0.040 19413 387 1 . 1 1 87 87 ILE N N 87 108.193 108.193 112.290 -4.097 19413 388 1 . 1 1 87 87 ILE HA H 87 4.238 4.238 4.426 -0.188 19413 389 1 . 1 1 87 87 ILE CA C 87 59.320 59.320 60.819 -1.499 19413 390 1 . 1 1 87 87 ILE CB C 87 40.000 40.000 38.024 1.976 19413 391 1 . 1 1 87 87 ILE H H 87 7.343 7.343 7.600 -0.257 19413 392 1 . 1 1 88 88 THR N N 88 119.455 119.455 117.770 1.685 19413 393 1 . 1 1 88 88 THR HA H 88 4.053 4.053 4.374 -0.321 19413 394 1 . 1 1 88 88 THR CA C 88 69.780 69.780 66.050 3.730 19413 395 1 . 1 1 88 88 THR CB C 88 68.491 68.491 69.269 -0.778 19413 396 1 . 1 1 88 88 THR H H 88 7.746 7.746 7.921 -0.175 19413 397 1 . 1 1 89 89 ALA N N 89 123.122 123.122 123.996 -0.874 19413 398 1 . 1 1 89 89 ALA HA H 89 4.600 4.600 4.465 0.135 19413 399 1 . 1 1 89 89 ALA CA C 89 57.291 57.291 56.411 0.880 19413 400 1 . 1 1 89 89 ALA CB C 89 15.197 15.197 16.697 -1.500 19413 401 1 . 1 1 89 89 ALA H H 89 9.125 9.125 8.499 0.626 19413 402 1 . 1 1 90 90 PRO HA H 90 4.416 4.416 4.350 0.066 19413 403 1 . 1 1 90 90 PRO CA C 90 65.221 65.221 65.337 -0.116 19413 404 1 . 1 1 90 90 PRO CB C 90 31.411 31.411 31.336 0.075 19413 405 1 . 1 1 91 91 MET N N 91 119.468 119.468 118.529 0.939 19413 406 1 . 1 1 91 91 MET HA H 91 4.370 4.370 4.199 0.171 19413 407 1 . 1 1 91 91 MET CA C 91 56.901 56.901 58.535 -1.634 19413 408 1 . 1 1 91 91 MET CB C 91 30.059 30.059 32.206 -2.147 19413 409 1 . 1 1 91 91 MET H H 91 8.176 8.176 7.741 0.435 19413 410 1 . 1 1 92 92 PHE N N 92 120.720 120.720 118.211 2.509 19413 411 1 . 1 1 92 92 PHE HA H 92 4.518 4.518 4.307 0.211 19413 412 1 . 1 1 92 92 PHE CA C 92 63.883 63.883 60.746 3.137 19413 413 1 . 1 1 92 92 PHE CB C 92 39.324 39.324 38.449 0.875 19413 414 1 . 1 1 92 92 PHE H H 92 8.650 8.650 8.423 0.227 19413 415 1 . 1 1 93 93 GLU N N 93 117.705 117.705 120.233 -2.528 19413 416 1 . 1 1 93 93 GLU HA H 93 4.066 4.066 4.094 -0.028 19413 417 1 . 1 1 93 93 GLU CA C 93 59.403 59.403 59.716 -0.313 19413 418 1 . 1 1 93 93 GLU CB C 93 29.642 29.642 29.733 -0.091 19413 419 1 . 1 1 93 93 GLU H H 93 8.240 8.240 8.393 -0.153 19413 420 1 . 1 1 94 94 ALA N N 94 123.067 123.067 119.998 3.069 19413 421 1 . 1 1 94 94 ALA HA H 94 4.451 4.451 4.607 -0.156 19413 422 1 . 1 1 94 94 ALA CA C 94 53.995 53.995 53.809 0.186 19413 423 1 . 1 1 94 94 ALA CB C 94 19.003 19.003 19.303 -0.300 19413 424 1 . 1 1 94 94 ALA H H 94 8.431 8.431 7.879 0.552 19413 425 1 . 1 1 95 95 VAL N N 95 115.582 115.582 116.582 -1.000 19413 426 1 . 1 1 95 95 VAL HA H 95 3.722 3.722 3.841 -0.119 19413 427 1 . 1 1 95 95 VAL CA C 95 65.804 65.804 64.593 1.211 19413 428 1 . 1 1 95 95 VAL CB C 95 31.739 31.739 32.489 -0.750 19413 429 1 . 1 1 95 95 VAL H H 95 8.467 8.467 7.645 0.822 19413 430 1 . 1 1 96 96 GLN N N 96 113.295 113.295 118.092 -4.797 19413 431 1 . 1 1 96 96 GLN HA H 96 4.551 4.551 4.300 0.251 19413 432 1 . 1 1 96 96 GLN CA C 96 58.226 58.226 57.449 0.777 19413 433 1 . 1 1 96 96 GLN CB C 96 30.679 30.679 30.138 0.541 19413 434 1 . 1 1 96 96 GLN H H 96 8.184 8.184 8.258 -0.074 19413 435 1 . 1 1 97 97 LYS N N 97 118.621 118.621 120.136 -1.515 19413 436 1 . 1 1 97 97 LYS HA H 97 4.687 4.687 4.149 0.538 19413 437 1 . 1 1 97 97 LYS CA C 97 57.159 57.159 58.703 -1.544 19413 438 1 . 1 1 97 97 LYS CB C 97 32.542 32.542 33.026 -0.483 19413 439 1 . 1 1 97 97 LYS H H 97 8.231 8.231 7.768 0.463 19413 440 1 . 1 1 98 98 THR N N 98 110.486 110.486 108.317 2.169 19413 441 1 . 1 1 98 98 THR HA H 98 4.285 4.285 4.323 -0.038 19413 442 1 . 1 1 98 98 THR CA C 98 62.420 62.420 62.274 0.146 19413 443 1 . 1 1 98 98 THR CB C 98 68.343 68.343 70.251 -1.908 19413 444 1 . 1 1 98 98 THR H H 98 8.612 8.612 8.039 0.573 19413 445 1 . 1 1 99 99 GLN N N 99 115.751 115.751 116.824 -1.073 19413 446 1 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.128 0.057 19413 447 1 . 1 1 99 99 GLN CA C 99 56.986 56.986 57.014 -0.028 19413 448 1 . 1 1 99 99 GLN CB C 99 25.623 25.623 26.431 -0.808 19413 449 1 . 1 1 99 99 GLN H H 99 6.979 6.979 8.119 -1.140 19413 450 1 . 1 1 100 100 THR N N 100 108.660 108.660 113.051 -4.391 19413 451 1 . 1 1 100 100 THR HA H 100 4.350 4.350 4.155 0.195 19413 452 1 . 1 1 100 100 THR CA C 100 61.035 61.035 64.070 -3.035 19413 453 1 . 1 1 100 100 THR CB C 100 68.306 68.306 69.312 -1.006 19413 454 1 . 1 1 100 100 THR H H 100 8.362 8.362 7.785 0.577 19413 455 1 . 1 1 101 101 VAL N N 101 121.417 121.417 122.624 -1.207 19413 456 1 . 1 1 101 101 VAL HA H 101 4.193 4.193 3.784 0.409 19413 457 1 . 1 1 101 101 VAL CA C 101 61.967 61.967 64.449 -2.482 19413 458 1 . 1 1 101 101 VAL CB C 101 31.349 31.349 30.976 0.374 19413 459 1 . 1 1 101 101 VAL H H 101 7.376 7.376 7.862 -0.487 19413 460 1 . 1 1 102 102 GLN N N 102 127.472 127.472 125.395 2.077 19413 461 1 . 1 1 102 102 GLN HA H 102 4.564 4.564 4.583 -0.019 19413 462 1 . 1 1 102 102 GLN CA C 102 55.116 55.116 55.845 -0.729 19413 463 1 . 1 1 102 102 GLN CB C 102 30.768 30.768 31.934 -1.166 19413 464 1 . 1 1 102 102 GLN H H 102 9.583 9.583 8.616 0.967 19413 465 1 . 1 1 103 103 SER N N 103 116.698 116.698 114.163 2.534 19413 466 1 . 1 1 103 103 SER HA H 103 4.883 4.883 4.754 0.129 19413 467 1 . 1 1 103 103 SER CA C 103 56.423 56.423 56.725 -0.302 19413 468 1 . 1 1 103 103 SER CB C 103 66.834 66.834 65.671 1.163 19413 469 1 . 1 1 103 103 SER H H 103 8.539 8.539 8.246 0.293 19413 470 1 . 1 1 104 104 VAL N N 104 120.375 120.375 122.805 -2.430 19413 471 1 . 1 1 104 104 VAL HA H 104 3.740 3.740 3.666 0.074 19413 472 1 . 1 1 104 104 VAL CA C 104 65.756 65.756 66.256 -0.500 19413 473 1 . 1 1 104 104 VAL CB C 104 30.929 30.929 31.370 -0.441 19413 474 1 . 1 1 104 104 VAL H H 104 8.929 8.929 8.798 0.131 19413 475 1 . 1 1 105 105 ALA N N 105 125.255 125.255 120.202 5.053 19413 476 1 . 1 1 105 105 ALA HA H 105 4.000 4.000 3.986 0.014 19413 477 1 . 1 1 105 105 ALA CA C 105 54.906 54.906 54.579 0.327 19413 478 1 . 1 1 105 105 ALA CB C 105 18.053 18.053 17.799 0.254 19413 479 1 . 1 1 105 105 ALA H H 105 8.099 8.099 8.338 -0.239 19413 480 1 . 1 1 106 106 ASP N N 106 118.317 118.317 117.969 0.348 19413 481 1 . 1 1 106 106 ASP HA H 106 4.375 4.375 4.616 -0.241 19413 482 1 . 1 1 106 106 ASP CA C 106 56.664 56.664 56.405 0.259 19413 483 1 . 1 1 106 106 ASP CB C 106 42.767 42.767 41.719 1.048 19413 484 1 . 1 1 106 106 ASP H H 106 7.603 7.603 8.061 -0.458 19413 485 1 . 1 1 107 107 ILE N N 107 120.210 120.210 119.972 0.238 19413 486 1 . 1 1 107 107 ILE HA H 107 3.331 3.331 3.932 -0.601 19413 487 1 . 1 1 107 107 ILE CA C 107 65.609 65.609 64.476 1.133 19413 488 1 . 1 1 107 107 ILE CB C 107 37.890 37.890 37.950 -0.060 19413 489 1 . 1 1 107 107 ILE H H 107 7.342 7.342 7.347 -0.005 19413 490 1 . 1 1 108 108 ARG N N 108 119.234 119.234 119.016 0.218 19413 491 1 . 1 1 108 108 ARG HA H 108 2.797 2.797 3.434 -0.637 19413 492 1 . 1 1 108 108 ARG CA C 108 58.656 58.656 58.630 0.026 19413 493 1 . 1 1 108 108 ARG CB C 108 29.842 29.842 28.704 1.138 19413 494 1 . 1 1 108 108 ARG H H 108 6.677 6.677 8.177 -1.500 19413 495 1 . 1 1 109 109 LYS N N 109 117.662 117.662 120.388 -2.726 19413 496 1 . 1 1 109 109 LYS HA H 109 3.846 3.846 4.003 -0.157 19413 497 1 . 1 1 109 109 LYS CA C 109 59.219 59.219 59.426 -0.207 19413 498 1 . 1 1 109 109 LYS CB C 109 31.974 31.974 31.918 0.056 19413 499 1 . 1 1 109 109 LYS H H 109 7.164 7.164 7.628 -0.463 19413 500 1 . 1 1 110 110 VAL N N 110 118.257 118.257 119.067 -0.810 19413 501 1 . 1 1 110 110 VAL HA H 110 3.641 3.641 3.722 -0.081 19413 502 1 . 1 1 110 110 VAL CA C 110 66.062 66.062 66.148 -0.086 19413 503 1 . 1 1 110 110 VAL CB C 110 31.224 31.224 31.317 -0.093 19413 504 1 . 1 1 110 110 VAL H H 110 7.269 7.269 7.559 -0.290 19413 505 1 . 1 1 111 111 PHE N N 111 118.699 118.699 118.696 0.003 19413 506 1 . 1 1 111 111 PHE HA H 111 3.910 3.910 4.133 -0.223 19413 507 1 . 1 1 111 111 PHE CA C 111 61.480 61.480 62.571 -1.091 19413 508 1 . 1 1 111 111 PHE CB C 111 38.423 38.423 38.212 0.211 19413 509 1 . 1 1 111 111 PHE H H 111 7.411 7.411 7.769 -0.358 19413 510 1 . 1 1 112 112 VAL N N 112 121.527 121.527 119.698 1.829 19413 511 1 . 1 1 112 112 VAL HA H 112 4.611 4.611 3.985 0.626 19413 512 1 . 1 1 112 112 VAL CA C 112 64.719 64.719 65.780 -1.061 19413 513 1 . 1 1 112 112 VAL CB C 112 31.371 31.371 31.373 -0.002 19413 514 1 . 1 1 112 112 VAL H H 112 8.424 8.424 7.674 0.750 19413 515 1 . 1 1 113 113 ASP N N 113 124.032 124.032 121.275 2.757 19413 516 1 . 1 1 113 113 ASP HA H 113 4.447 4.447 4.424 0.023 19413 517 1 . 1 1 113 113 ASP CA C 113 56.678 56.678 56.971 -0.293 19413 518 1 . 1 1 113 113 ASP CB C 113 39.280 39.280 40.514 -1.234 19413 519 1 . 1 1 113 113 ASP H H 113 9.048 9.048 8.506 0.542 19413 520 1 . 1 1 114 114 ALA N N 114 121.399 121.399 119.229 2.170 19413 521 1 . 1 1 114 114 ALA HA H 114 4.467 4.467 4.265 0.202 19413 522 1 . 1 1 114 114 ALA CA C 114 51.878 51.878 52.698 -0.821 19413 523 1 . 1 1 114 114 ALA CB C 114 18.613 18.613 19.431 -0.818 19413 524 1 . 1 1 114 114 ALA H H 114 7.505 7.505 7.913 -0.408 19413 525 1 . 1 1 115 115 GLY N N 115 105.755 105.755 105.564 0.191 19413 526 1 . 1 1 115 115 GLY CA C 115 45.103 45.103 44.627 0.476 19413 527 1 . 1 1 115 115 GLY H H 115 7.895 7.895 7.684 0.211 19413 528 1 . 1 1 116 116 VAL N N 116 124.542 124.542 120.807 3.735 19413 529 1 . 1 1 116 116 VAL HA H 116 4.020 4.020 4.237 -0.216 19413 530 1 . 1 1 116 116 VAL CA C 116 61.601 61.601 61.282 0.319 19413 531 1 . 1 1 116 116 VAL CB C 116 31.739 31.739 33.851 -2.112 19413 532 1 . 1 1 116 116 VAL H H 116 8.095 8.095 7.746 0.349 19413 533 1 . 1 1 117 117 LYS N N 117 128.363 128.363 127.296 1.067 19413 534 1 . 1 1 117 117 LYS HA H 117 4.183 4.183 4.266 -0.083 19413 535 1 . 1 1 117 117 LYS CA C 117 57.085 57.085 57.033 0.052 19413 536 1 . 1 1 117 117 LYS CB C 117 31.812 31.812 32.894 -1.082 19413 537 1 . 1 1 117 117 LYS H H 117 9.102 9.102 8.888 0.214 19413 538 1 . 1 1 118 118 GLY N N 118 116.049 116.049 112.983 3.066 19413 539 1 . 1 1 118 118 GLY CA C 118 47.668 47.668 46.939 0.729 19413 540 1 . 1 1 118 118 GLY H H 118 9.300 9.300 8.985 0.315 19413 541 1 . 1 1 119 119 GLU N N 119 118.512 118.512 119.119 -0.607 19413 542 1 . 1 1 119 119 GLU HA H 119 4.226 4.226 4.221 0.005 19413 543 1 . 1 1 119 119 GLU CA C 119 59.523 59.523 58.616 0.907 19413 544 1 . 1 1 119 119 GLU CB C 119 28.813 28.813 29.287 -0.474 19413 545 1 . 1 1 119 119 GLU H H 119 9.501 9.501 8.618 0.883 19413 546 1 . 1 1 120 120 ASP N N 120 121.262 121.262 120.149 1.113 19413 547 1 . 1 1 120 120 ASP HA H 120 4.579 4.579 4.527 0.052 19413 548 1 . 1 1 120 120 ASP CA C 120 56.559 56.559 56.531 0.028 19413 549 1 . 1 1 120 120 ASP CB C 120 39.632 39.632 41.375 -1.743 19413 550 1 . 1 1 120 120 ASP H H 120 7.088 7.088 7.647 -0.559 19413 551 1 . 1 1 121 121 TYR N N 121 123.619 123.619 121.127 2.492 19413 552 1 . 1 1 121 121 TYR HA H 121 3.722 3.722 4.086 -0.364 19413 553 1 . 1 1 121 121 TYR CA C 121 62.151 62.151 61.995 0.156 19413 554 1 . 1 1 121 121 TYR CB C 121 38.002 38.002 38.535 -0.532 19413 555 1 . 1 1 121 121 TYR H H 121 7.986 7.986 8.160 -0.174 19413 556 1 . 1 1 122 122 ASP N N 122 119.702 119.702 118.220 1.482 19413 557 1 . 1 1 122 122 ASP HA H 122 4.254 4.254 4.449 -0.195 19413 558 1 . 1 1 122 122 ASP CA C 122 57.122 57.122 56.285 0.838 19413 559 1 . 1 1 122 122 ASP CB C 122 39.611 39.611 40.676 -1.065 19413 560 1 . 1 1 122 122 ASP H H 122 8.812 8.812 8.208 0.604 19413 561 1 . 1 1 123 123 ALA N N 123 121.138 121.138 121.691 -0.553 19413 562 1 . 1 1 123 123 ALA HA H 123 4.226 4.226 4.291 -0.065 19413 563 1 . 1 1 123 123 ALA CA C 123 54.230 54.230 54.155 0.075 19413 564 1 . 1 1 123 123 ALA CB C 123 18.126 18.126 19.113 -0.987 19413 565 1 . 1 1 123 123 ALA H H 123 7.696 7.696 7.552 0.144 19413 566 1 . 1 1 124 124 ALA N N 124 120.299 120.299 122.454 -2.155 19413 567 1 . 1 1 124 124 ALA HA H 124 4.106 4.106 4.049 0.057 19413 568 1 . 1 1 124 124 ALA CA C 124 54.326 54.326 54.896 -0.570 19413 569 1 . 1 1 124 124 ALA CB C 124 18.565 18.565 18.167 0.398 19413 570 1 . 1 1 124 124 ALA H H 124 7.935 7.935 8.313 -0.378 19413 571 1 . 1 1 125 125 TRP N N 125 121.357 121.357 119.712 1.645 19413 572 1 . 1 1 125 125 TRP HA H 125 3.476 3.476 4.243 -0.767 19413 573 1 . 1 1 125 125 TRP CA C 125 61.463 61.463 60.466 0.997 19413 574 1 . 1 1 125 125 TRP CB C 125 28.377 28.377 29.297 -0.919 19413 575 1 . 1 1 125 125 TRP H H 125 8.948 8.948 8.220 0.728 19413 576 1 . 1 1 126 126 ASN N N 126 110.817 110.817 112.999 -2.182 19413 577 1 . 1 1 126 126 ASN HA H 126 4.843 4.843 4.738 0.105 19413 578 1 . 1 1 126 126 ASN CA C 126 52.522 52.522 52.840 -0.318 19413 579 1 . 1 1 126 126 ASN CB C 126 40.070 40.070 39.439 0.631 19413 580 1 . 1 1 126 126 ASN H H 126 7.024 7.024 7.839 -0.815 19413 581 1 . 1 1 127 127 SER N N 127 116.650 116.650 115.782 0.868 19413 582 1 . 1 1 127 127 SER HA H 127 4.472 4.472 4.500 -0.028 19413 583 1 . 1 1 127 127 SER CA C 127 58.535 58.535 56.974 1.561 19413 584 1 . 1 1 127 127 SER CB C 127 65.513 65.513 64.741 0.772 19413 585 1 . 1 1 127 127 SER H H 127 7.831 7.831 7.788 0.043 19413 586 1 . 1 1 128 128 PHE HA H 128 4.278 4.278 4.286 -0.008 19413 587 1 . 1 1 128 128 PHE CA C 128 61.055 61.055 60.599 0.456 19413 588 1 . 1 1 128 128 PHE CB C 128 38.368 38.368 38.795 -0.427 19413 589 1 . 1 1 129 129 VAL N N 129 120.058 120.058 119.155 0.903 19413 590 1 . 1 1 129 129 VAL HA H 129 3.714 3.714 3.682 0.032 19413 591 1 . 1 1 129 129 VAL CA C 129 65.672 65.672 66.724 -1.052 19413 592 1 . 1 1 129 129 VAL CB C 129 31.778 31.778 31.212 0.566 19413 593 1 . 1 1 129 129 VAL H H 129 8.340 8.340 7.814 0.526 19413 594 1 . 1 1 130 130 VAL N N 130 122.552 122.552 118.899 3.653 19413 595 1 . 1 1 130 130 VAL HA H 130 3.511 3.511 3.561 -0.050 19413 596 1 . 1 1 130 130 VAL CA C 130 66.834 66.834 66.470 0.364 19413 597 1 . 1 1 130 130 VAL CB C 130 31.224 31.224 31.105 0.119 19413 598 1 . 1 1 130 130 VAL H H 130 7.163 7.163 7.649 -0.486 19413 599 1 . 1 1 131 131 LYS N N 131 122.079 122.079 119.963 2.116 19413 600 1 . 1 1 131 131 LYS HA H 131 3.756 3.756 3.751 0.005 19413 601 1 . 1 1 131 131 LYS CA C 131 59.734 59.734 59.484 0.250 19413 602 1 . 1 1 131 131 LYS CB C 131 31.518 31.518 31.381 0.136 19413 603 1 . 1 1 131 131 LYS H H 131 7.852 7.852 7.515 0.337 19413 604 1 . 1 1 132 132 SER N N 132 115.836 115.836 115.023 0.813 19413 605 1 . 1 1 132 132 SER HA H 132 4.155 4.155 4.156 -0.001 19413 606 1 . 1 1 132 132 SER CA C 132 61.022 61.022 61.343 -0.321 19413 607 1 . 1 1 132 132 SER CB C 132 62.309 62.309 63.000 -0.691 19413 608 1 . 1 1 132 132 SER H H 132 8.258 8.258 8.094 0.164 19413 609 1 . 1 1 133 133 LEU N N 133 124.754 124.754 122.642 2.112 19413 610 1 . 1 1 133 133 LEU HA H 133 4.197 4.197 3.974 0.224 19413 611 1 . 1 1 133 133 LEU CA C 133 57.564 57.564 57.875 -0.311 19413 612 1 . 1 1 133 133 LEU CB C 133 44.161 44.161 42.009 2.152 19413 613 1 . 1 1 133 133 LEU H H 133 8.140 8.140 7.751 0.389 19413 614 1 . 1 1 134 134 VAL N N 134 123.461 123.461 119.525 3.936 19413 615 1 . 1 1 134 134 VAL HA H 134 3.281 3.281 3.688 -0.407 19413 616 1 . 1 1 134 134 VAL CA C 134 68.857 68.857 66.536 2.321 19413 617 1 . 1 1 134 134 VAL CB C 134 30.856 30.856 31.166 -0.310 19413 618 1 . 1 1 134 134 VAL H H 134 8.718 8.718 8.467 0.251 19413 619 1 . 1 1 135 135 ALA N N 135 121.739 121.739 120.649 1.090 19413 620 1 . 1 1 135 135 ALA HA H 135 4.164 4.164 3.967 0.197 19413 621 1 . 1 1 135 135 ALA CA C 135 54.929 54.929 55.128 -0.199 19413 622 1 . 1 1 135 135 ALA CB C 135 17.426 17.426 18.134 -0.708 19413 623 1 . 1 1 135 135 ALA H H 135 7.513 7.513 7.871 -0.358 19413 624 1 . 1 1 136 136 GLN N N 136 119.033 119.033 117.575 1.458 19413 625 1 . 1 1 136 136 GLN HA H 136 4.076 4.076 3.967 0.109 19413 626 1 . 1 1 136 136 GLN CA C 136 59.109 59.109 58.870 0.239 19413 627 1 . 1 1 136 136 GLN CB C 136 29.085 29.085 28.409 0.676 19413 628 1 . 1 1 136 136 GLN H H 136 8.473 8.473 8.015 0.458 19413 629 1 . 1 1 137 137 GLN N N 137 119.734 119.734 118.044 1.690 19413 630 1 . 1 1 137 137 GLN HA H 137 3.512 3.512 4.123 -0.611 19413 631 1 . 1 1 137 137 GLN CA C 137 59.882 59.882 58.352 1.530 19413 632 1 . 1 1 137 137 GLN CB C 137 30.843 30.843 28.397 2.446 19413 633 1 . 1 1 137 137 GLN H H 137 7.995 7.995 7.754 0.241 19413 634 1 . 1 1 138 138 GLU N N 138 121.309 121.309 120.119 1.190 19413 635 1 . 1 1 138 138 GLU HA H 138 3.935 3.935 4.060 -0.125 19413 636 1 . 1 1 138 138 GLU CA C 138 58.977 58.977 59.203 -0.226 19413 637 1 . 1 1 138 138 GLU CB C 138 28.965 28.965 29.343 -0.378 19413 638 1 . 1 1 138 138 GLU H H 138 8.291 8.291 8.483 -0.192 19413 639 1 . 1 1 139 139 LYS N N 139 122.121 122.121 119.262 2.859 19413 640 1 . 1 1 139 139 LYS HA H 139 4.117 4.117 4.115 0.001 19413 641 1 . 1 1 139 139 LYS CA C 139 58.924 58.924 58.710 0.214 19413 642 1 . 1 1 139 139 LYS CB C 139 32.592 32.592 32.681 -0.089 19413 643 1 . 1 1 139 139 LYS H H 139 8.603 8.603 8.007 0.596 19413 644 1 . 1 1 140 140 ALA N N 140 120.286 120.286 119.095 1.191 19413 645 1 . 1 1 140 140 ALA HA H 140 4.410 4.410 4.476 -0.066 19413 646 1 . 1 1 140 140 ALA CA C 140 55.063 55.063 53.688 1.375 19413 647 1 . 1 1 140 140 ALA CB C 140 18.446 18.446 19.331 -0.885 19413 648 1 . 1 1 140 140 ALA H H 140 8.140 8.140 7.785 0.355 19413 649 1 . 1 1 141 141 ALA N N 141 116.994 116.994 118.955 -1.961 19413 650 1 . 1 1 141 141 ALA HA H 141 3.648 3.648 4.326 -0.678 19413 651 1 . 1 1 141 141 ALA CA C 141 54.515 54.515 52.817 1.698 19413 652 1 . 1 1 141 141 ALA CB C 141 18.001 18.001 19.988 -1.987 19413 653 1 . 1 1 141 141 ALA H H 141 7.251 7.251 7.945 -0.694 19413 654 1 . 1 1 142 142 ALA N N 142 121.272 121.272 120.026 1.246 19413 655 1 . 1 1 142 142 ALA HA H 142 4.184 4.184 4.364 -0.180 19413 656 1 . 1 1 142 142 ALA CA C 142 54.657 54.657 52.806 1.851 19413 657 1 . 1 1 142 142 ALA CB C 142 18.217 18.217 19.218 -1.001 19413 658 1 . 1 1 142 142 ALA H H 142 7.940 7.940 7.975 -0.035 19413 659 1 . 1 1 143 143 ASP N N 143 121.599 121.599 119.675 1.924 19413 660 1 . 1 1 143 143 ASP HA H 143 4.336 4.336 4.490 -0.154 19413 661 1 . 1 1 143 143 ASP CA C 143 56.975 56.975 55.600 1.375 19413 662 1 . 1 1 143 143 ASP CB C 143 40.035 40.035 41.252 -1.217 19413 663 1 . 1 1 143 143 ASP H H 143 9.272 9.272 8.166 1.106 19413 664 1 . 1 1 144 144 LEU HA H 144 4.111 4.111 4.276 -0.165 19413 665 1 . 1 1 144 144 LEU CA C 144 54.547 54.547 55.829 -1.282 19413 666 1 . 1 1 144 144 LEU CB C 144 41.055 41.055 40.121 0.934 19413 667 1 . 1 1 145 145 GLN N N 145 116.940 116.940 117.701 -0.761 19413 668 1 . 1 1 145 145 GLN HA H 145 3.752 3.752 4.268 -0.516 19413 669 1 . 1 1 145 145 GLN CA C 145 55.823 55.823 56.577 -0.754 19413 670 1 . 1 1 145 145 GLN CB C 145 26.132 26.132 29.044 -2.912 19413 671 1 . 1 1 145 145 GLN H H 145 7.750 7.750 8.145 -0.395 19413 672 1 . 1 1 146 146 LEU N N 146 119.399 119.399 119.970 -0.571 19413 673 1 . 1 1 146 146 LEU HA H 146 3.886 3.886 4.474 -0.588 19413 674 1 . 1 1 146 146 LEU CA C 146 56.313 56.313 55.141 1.172 19413 675 1 . 1 1 146 146 LEU CB C 146 43.142 43.142 43.160 -0.018 19413 676 1 . 1 1 146 146 LEU H H 146 7.516 7.516 7.701 -0.185 19413 677 1 . 1 1 147 147 GLN N N 147 123.118 123.118 119.399 3.719 19413 678 1 . 1 1 147 147 GLN HA H 147 4.147 4.147 4.105 0.042 19413 679 1 . 1 1 147 147 GLN CA C 147 54.867 54.867 55.715 -0.848 19413 680 1 . 1 1 147 147 GLN CB C 147 30.525 30.525 28.912 1.613 19413 681 1 . 1 1 147 147 GLN H H 147 8.895 8.895 8.366 0.529 19413 682 1 . 1 1 148 148 GLY N N 148 106.555 106.555 107.107 -0.552 19413 683 1 . 1 1 148 148 GLY CA C 148 45.104 45.104 44.660 0.444 19413 684 1 . 1 1 148 148 GLY H H 148 7.275 7.275 7.761 -0.486 19413 685 1 . 1 1 149 149 VAL N N 149 110.030 110.030 117.425 -7.395 19413 686 1 . 1 1 149 149 VAL HA H 149 4.471 4.471 4.531 -0.060 19413 687 1 . 1 1 149 149 VAL CA C 149 57.637 57.637 58.730 -1.093 19413 688 1 . 1 1 149 149 VAL CB C 149 34.682 34.682 32.657 2.024 19413 689 1 . 1 1 149 149 VAL H H 149 8.267 8.267 8.106 0.161 19413 690 1 . 1 1 150 150 PRO HA H 150 4.810 4.810 4.803 0.007 19413 691 1 . 1 1 150 150 PRO CA C 150 62.144 62.144 62.660 -0.516 19413 692 1 . 1 1 150 150 PRO CB C 150 34.926 34.926 32.410 2.516 19413 693 1 . 1 1 151 151 ALA N N 151 123.567 123.567 123.490 0.077 19413 694 1 . 1 1 151 151 ALA HA H 151 4.885 4.885 4.708 0.177 19413 695 1 . 1 1 151 151 ALA CA C 151 51.625 51.625 51.538 0.087 19413 696 1 . 1 1 151 151 ALA CB C 151 24.847 24.847 22.461 2.386 19413 697 1 . 1 1 151 151 ALA H H 151 8.249 8.249 8.724 -0.475 19413 698 1 . 1 1 152 152 MET N N 152 121.866 121.866 122.640 -0.774 19413 699 1 . 1 1 152 152 MET HA H 152 5.724 5.724 5.083 0.641 19413 700 1 . 1 1 152 152 MET CA C 152 55.487 55.487 54.964 0.523 19413 701 1 . 1 1 152 152 MET CB C 152 36.830 36.830 35.430 1.400 19413 702 1 . 1 1 152 152 MET H H 152 8.610 8.610 8.566 0.044 19413 703 1 . 1 1 153 153 TYR N N 153 124.782 124.782 124.095 0.687 19413 704 1 . 1 1 153 153 TYR HA H 153 5.754 5.754 5.225 0.529 19413 705 1 . 1 1 153 153 TYR CA C 153 56.208 56.208 57.623 -1.415 19413 706 1 . 1 1 153 153 TYR CB C 153 42.990 42.990 40.555 2.435 19413 707 1 . 1 1 153 153 TYR H H 153 9.685 9.685 8.889 0.796 19413 708 1 . 1 1 154 154 VAL N N 154 121.914 121.914 119.687 2.227 19413 709 1 . 1 1 154 154 VAL CB C 154 34.660 34.660 34.551 0.109 19413 710 1 . 1 1 154 154 VAL H H 154 9.441 9.441 8.721 0.720 19413 711 1 . 1 1 155 155 ASN HA H 155 4.739 4.739 4.500 0.239 19413 712 1 . 1 1 155 155 ASN CA C 155 54.473 54.473 53.969 0.504 19413 713 1 . 1 1 155 155 ASN CB C 155 37.154 37.154 38.510 -1.356 19413 714 1 . 1 1 156 156 GLY N N 156 106.059 106.059 105.586 0.473 19413 715 1 . 1 1 156 156 GLY CA C 156 46.186 46.186 46.123 0.063 19413 716 1 . 1 1 156 156 GLY H H 156 9.354 9.354 8.535 0.819 19413 717 1 . 1 1 157 157 LYS N N 157 114.357 114.357 116.291 -1.934 19413 718 1 . 1 1 157 157 LYS HA H 157 4.552 4.552 4.343 0.209 19413 719 1 . 1 1 157 157 LYS CA C 157 56.755 56.755 56.232 0.522 19413 720 1 . 1 1 157 157 LYS CB C 157 36.788 36.788 33.810 2.978 19413 721 1 . 1 1 157 157 LYS H H 157 7.877 7.877 7.911 -0.034 19413 722 1 . 1 1 158 158 TYR N N 158 117.900 117.900 118.907 -1.007 19413 723 1 . 1 1 158 158 TYR HA H 158 5.864 5.864 5.563 0.301 19413 724 1 . 1 1 158 158 TYR CA C 158 54.856 54.856 55.874 -1.018 19413 725 1 . 1 1 158 158 TYR CB C 158 42.879 42.879 41.696 1.183 19413 726 1 . 1 1 158 158 TYR H H 158 7.876 7.876 8.001 -0.125 19413 727 1 . 1 1 159 159 GLN N N 159 125.094 125.094 120.615 4.479 19413 728 1 . 1 1 159 159 GLN HA H 159 4.753 4.753 5.024 -0.271 19413 729 1 . 1 1 159 159 GLN CA C 159 53.406 53.406 53.983 -0.577 19413 730 1 . 1 1 159 159 GLN CB C 159 31.849 31.849 32.679 -0.830 19413 731 1 . 1 1 159 159 GLN H H 159 9.701 9.701 9.030 0.671 19413 732 1 . 1 1 160 160 LEU N N 160 131.941 131.941 125.100 6.841 19413 733 1 . 1 1 160 160 LEU HA H 160 4.011 4.011 4.228 -0.217 19413 734 1 . 1 1 160 160 LEU CA C 160 53.995 53.995 55.372 -1.377 19413 735 1 . 1 1 160 160 LEU CB C 160 40.075 40.075 41.581 -1.506 19413 736 1 . 1 1 160 160 LEU H H 160 8.551 8.551 8.261 0.290 19413 737 1 . 1 1 161 161 ASN N N 161 118.639 118.639 121.845 -3.206 19413 738 1 . 1 1 161 161 ASN HA H 161 5.496 5.496 5.197 0.299 19413 739 1 . 1 1 161 161 ASN CA C 161 49.769 49.769 50.092 -0.323 19413 740 1 . 1 1 161 161 ASN CB C 161 38.911 38.911 39.371 -0.460 19413 741 1 . 1 1 161 161 ASN H H 161 8.285 8.285 8.436 -0.151 19413 742 1 . 1 1 162 162 PRO HA H 162 4.789 4.789 4.814 -0.025 19413 743 1 . 1 1 162 162 PRO CA C 162 64.774 64.774 64.965 -0.191 19413 744 1 . 1 1 162 162 PRO CB C 162 32.178 32.178 32.559 -0.381 19413 745 1 . 1 1 163 163 GLN N N 163 116.006 116.006 117.751 -1.746 19413 746 1 . 1 1 163 163 GLN HA H 163 4.226 4.226 4.300 -0.074 19413 747 1 . 1 1 163 163 GLN CA C 163 57.966 57.966 57.299 0.667 19413 748 1 . 1 1 163 163 GLN CB C 163 27.976 27.976 28.427 -0.451 19413 749 1 . 1 1 163 163 GLN H H 163 8.086 8.086 8.241 -0.155 19413 750 1 . 1 1 164 164 GLY N N 164 107.393 107.393 106.761 0.632 19413 751 1 . 1 1 164 164 GLY CA C 164 44.603 44.603 44.696 -0.093 19413 752 1 . 1 1 164 164 GLY H H 164 8.030 8.030 7.893 0.137 19413 753 1 . 1 1 165 165 MET N N 165 119.802 119.802 118.618 1.184 19413 754 1 . 1 1 165 165 MET HA H 165 4.636 4.636 4.665 -0.029 19413 755 1 . 1 1 165 165 MET CA C 165 54.567 54.567 55.171 -0.604 19413 756 1 . 1 1 165 165 MET CB C 165 34.464 34.464 35.349 -0.885 19413 757 1 . 1 1 165 165 MET H H 165 7.451 7.451 7.639 -0.188 19413 758 1 . 1 1 166 166 ASP N N 166 121.681 121.681 120.949 0.732 19413 759 1 . 1 1 166 166 ASP HA H 166 4.633 4.633 4.682 -0.049 19413 760 1 . 1 1 166 166 ASP CA C 166 54.181 54.181 54.530 -0.349 19413 761 1 . 1 1 166 166 ASP CB C 166 40.653 40.653 40.605 0.048 19413 762 1 . 1 1 166 166 ASP H H 166 8.694 8.694 8.808 -0.114 19413 763 1 . 1 1 167 167 THR N N 167 112.609 112.609 115.440 -2.831 19413 764 1 . 1 1 167 167 THR HA H 167 4.224 4.224 4.494 -0.270 19413 765 1 . 1 1 167 167 THR CA C 167 60.340 60.340 62.021 -1.681 19413 766 1 . 1 1 167 167 THR CB C 167 68.416 68.416 68.492 -0.076 19413 767 1 . 1 1 167 167 THR H H 167 7.860 7.860 8.231 -0.371 19413 768 1 . 1 1 168 168 SER N N 168 118.936 118.936 117.018 1.918 19413 769 1 . 1 1 168 168 SER HA H 168 4.158 4.158 4.511 -0.353 19413 770 1 . 1 1 168 168 SER CA C 168 60.874 60.874 59.626 1.248 19413 771 1 . 1 1 168 168 SER CB C 168 63.123 63.123 63.774 -0.651 19413 772 1 . 1 1 168 168 SER H H 168 8.739 8.739 8.383 0.356 19413 773 1 . 1 1 169 169 ASN N N 169 117.875 117.875 117.760 0.115 19413 774 1 . 1 1 169 169 ASN HA H 169 4.773 4.773 4.918 -0.145 19413 775 1 . 1 1 169 169 ASN CA C 169 52.348 52.348 53.207 -0.859 19413 776 1 . 1 1 169 169 ASN CB C 169 40.692 40.692 40.231 0.461 19413 777 1 . 1 1 169 169 ASN H H 169 7.341 7.341 8.034 -0.694 19413 778 1 . 1 1 170 170 MET N N 170 123.431 123.431 116.291 7.140 19413 779 1 . 1 1 170 170 MET HA H 170 4.600 4.600 4.000 0.600 19413 780 1 . 1 1 170 170 MET CA C 170 57.233 57.233 58.524 -1.291 19413 781 1 . 1 1 170 170 MET CB C 170 32.751 32.751 30.157 2.594 19413 782 1 . 1 1 170 170 MET H H 170 9.186 9.186 8.345 0.841 19413 783 1 . 1 1 171 171 ASP N N 171 120.825 120.825 120.473 0.352 19413 784 1 . 1 1 171 171 ASP HA H 171 4.493 4.493 4.418 0.075 19413 785 1 . 1 1 171 171 ASP CA C 171 57.506 57.506 57.755 -0.249 19413 786 1 . 1 1 171 171 ASP CB C 171 39.788 39.788 41.099 -1.311 19413 787 1 . 1 1 171 171 ASP H H 171 8.232 8.232 8.270 -0.038 19413 788 1 . 1 1 172 172 VAL N N 172 122.666 122.666 118.740 3.926 19413 789 1 . 1 1 172 172 VAL HA H 172 3.778 3.778 3.789 -0.011 19413 790 1 . 1 1 172 172 VAL CA C 172 65.539 65.539 65.449 0.090 19413 791 1 . 1 1 172 172 VAL CB C 172 31.855 31.855 31.611 0.244 19413 792 1 . 1 1 172 172 VAL H H 172 7.872 7.872 7.883 -0.011 19413 793 1 . 1 1 173 173 PHE N N 173 121.872 121.872 121.695 0.177 19413 794 1 . 1 1 173 173 PHE HA H 173 4.380 4.380 4.301 0.079 19413 795 1 . 1 1 173 173 PHE CA C 173 61.464 61.464 61.431 0.033 19413 796 1 . 1 1 173 173 PHE CB C 173 39.274 39.274 38.936 0.338 19413 797 1 . 1 1 173 173 PHE H H 173 8.250 8.250 7.787 0.463 19413 798 1 . 1 1 174 174 VAL N N 174 117.535 117.535 118.930 -1.395 19413 799 1 . 1 1 174 174 VAL HA H 174 3.043 3.043 3.230 -0.187 19413 800 1 . 1 1 174 174 VAL CA C 174 66.903 66.903 65.835 1.068 19413 801 1 . 1 1 174 174 VAL CB C 174 31.371 31.371 30.761 0.610 19413 802 1 . 1 1 174 174 VAL H H 174 8.138 8.138 7.776 0.362 19413 803 1 . 1 1 175 175 ALA N N 175 121.129 121.129 122.274 -1.145 19413 804 1 . 1 1 175 175 ALA HA H 175 4.126 4.126 3.935 0.191 19413 805 1 . 1 1 175 175 ALA CA C 175 54.768 54.768 55.057 -0.289 19413 806 1 . 1 1 175 175 ALA CB C 175 18.015 18.015 18.390 -0.375 19413 807 1 . 1 1 175 175 ALA H H 175 7.396 7.396 8.038 -0.642 19413 808 1 . 1 1 176 176 GLN N N 176 120.043 120.043 116.916 3.127 19413 809 1 . 1 1 176 176 GLN HA H 176 4.079 4.079 4.107 -0.028 19413 810 1 . 1 1 176 176 GLN CA C 176 58.962 58.962 58.067 0.895 19413 811 1 . 1 1 176 176 GLN CB C 176 28.049 28.049 29.241 -1.192 19413 812 1 . 1 1 176 176 GLN H H 176 8.721 8.721 7.568 1.153 19413 813 1 . 1 1 177 177 TYR N N 177 127.981 127.981 123.002 4.979 19413 814 1 . 1 1 177 177 TYR HA H 177 3.591 3.591 3.955 -0.364 19413 815 1 . 1 1 177 177 TYR CA C 177 61.562 61.562 61.569 -0.007 19413 816 1 . 1 1 177 177 TYR CB C 177 37.978 37.978 38.060 -0.082 19413 817 1 . 1 1 177 177 TYR H H 177 9.002 9.002 8.292 0.710 19413 818 1 . 1 1 178 178 ALA N N 178 119.796 119.796 118.999 0.797 19413 819 1 . 1 1 178 178 ALA HA H 178 4.030 4.030 3.943 0.087 19413 820 1 . 1 1 178 178 ALA CA C 178 55.405 55.405 55.209 0.196 19413 821 1 . 1 1 178 178 ALA CB C 178 17.969 17.969 17.985 -0.016 19413 822 1 . 1 1 178 178 ALA H H 178 8.392 8.392 8.237 0.155 19413 823 1 . 1 1 179 179 ASP N N 179 117.823 117.823 117.900 -0.077 19413 824 1 . 1 1 179 179 ASP HA H 179 4.419 4.419 4.364 0.056 19413 825 1 . 1 1 179 179 ASP CA C 179 57.296 57.296 57.218 0.079 19413 826 1 . 1 1 179 179 ASP CB C 179 41.803 41.803 40.716 1.087 19413 827 1 . 1 1 179 179 ASP H H 179 8.379 8.379 7.668 0.711 19413 828 1 . 1 1 180 180 THR N N 180 117.846 117.846 116.341 1.505 19413 829 1 . 1 1 180 180 THR HA H 180 4.179 4.179 3.989 0.190 19413 830 1 . 1 1 180 180 THR CA C 180 67.378 67.378 65.836 1.542 19413 831 1 . 1 1 180 180 THR CB C 180 67.733 67.733 68.511 -0.778 19413 832 1 . 1 1 180 180 THR H H 180 8.255 8.255 7.878 0.377 19413 833 1 . 1 1 181 181 VAL N N 181 120.101 120.101 120.922 -0.821 19413 834 1 . 1 1 181 181 VAL HA H 181 3.181 3.181 3.470 -0.289 19413 835 1 . 1 1 181 181 VAL CA C 181 67.780 67.780 66.707 1.073 19413 836 1 . 1 1 181 181 VAL CB C 181 30.931 30.931 31.246 -0.315 19413 837 1 . 1 1 181 181 VAL H H 181 7.772 7.772 7.866 -0.094 19413 838 1 . 1 1 182 182 LYS N N 182 119.144 119.144 118.487 0.657 19413 839 1 . 1 1 182 182 LYS HA H 182 3.630 3.630 3.961 -0.331 19413 840 1 . 1 1 182 182 LYS CA C 182 60.361 60.361 59.046 1.315 19413 841 1 . 1 1 182 182 LYS CB C 182 32.280 32.280 31.978 0.302 19413 842 1 . 1 1 182 182 LYS H H 182 7.758 7.758 7.587 0.171 19413 843 1 . 1 1 183 183 GLN N N 183 116.269 116.269 118.551 -2.282 19413 844 1 . 1 1 183 183 GLN HA H 183 3.985 3.985 4.043 -0.058 19413 845 1 . 1 1 183 183 GLN CA C 183 59.283 59.283 58.540 0.743 19413 846 1 . 1 1 183 183 GLN CB C 183 29.323 29.323 28.689 0.634 19413 847 1 . 1 1 183 183 GLN H H 183 8.114 8.114 7.967 0.147 19413 848 1 . 1 1 184 184 LEU N N 184 119.688 119.688 118.615 1.073 19413 849 1 . 1 1 184 184 LEU HA H 184 3.635 3.635 3.844 -0.209 19413 850 1 . 1 1 184 184 LEU CA C 184 57.041 57.041 56.648 0.393 19413 851 1 . 1 1 184 184 LEU CB C 184 42.060 42.060 41.753 0.307 19413 852 1 . 1 1 184 184 LEU H H 184 8.000 8.000 7.581 0.419 19413 853 1 . 1 1 185 185 VAL N N 185 121.017 121.017 116.416 4.601 19413 854 1 . 1 1 185 185 VAL HA H 185 3.512 3.512 3.791 -0.279 19413 855 1 . 1 1 185 185 VAL CA C 185 65.742 65.742 65.265 0.477 19413 856 1 . 1 1 185 185 VAL CB C 185 31.564 31.564 31.879 -0.315 19413 857 1 . 1 1 185 185 VAL H H 185 8.494 8.494 7.525 0.969 19413 858 1 . 1 1 186 186 GLU N N 186 117.535 117.535 116.472 1.063 19413 859 1 . 1 1 186 186 GLU HA H 186 4.120 4.120 4.309 -0.190 19413 860 1 . 1 1 186 186 GLU CA C 186 57.159 57.159 56.854 0.305 19413 861 1 . 1 1 186 186 GLU CB C 186 29.789 29.789 29.852 -0.063 19413 862 1 . 1 1 186 186 GLU H H 186 7.541 7.541 7.630 -0.089 19413 863 1 . 1 1 187 187 LYS N N 187 121.929 121.929 120.759 1.170 19413 864 1 . 1 1 187 187 LYS HA H 187 4.126 4.126 4.399 -0.273 19413 865 1 . 1 1 187 187 LYS CA C 187 57.748 57.748 55.316 2.432 19413 866 1 . 1 1 187 187 LYS CB C 187 32.718 32.718 31.766 0.952 19413 867 1 . 1 1 187 187 LYS H H 187 7.358 7.358 7.358 -0.000 19413 stop_ save_