data_19548 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19548 _Entry.PDB_ID 2MFG 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 19548 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 124.817 124.817 126.155 -1.338 19548 2 1 1 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.819 -0.338 19548 3 1 1 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.115 -0.613 19548 4 1 1 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.612 -0.202 19548 5 1 1 . 1 1 2 2 LEU H H 2 8.411 8.411 8.472 -0.061 19548 6 1 1 . 1 1 3 3 ILE N N 3 130.687 130.687 124.790 5.897 19548 7 1 1 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.441 0.538 19548 8 1 1 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.195 -1.174 19548 9 1 1 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.053 -1.069 19548 10 1 1 . 1 1 3 3 ILE H H 3 10.326 10.326 8.409 1.917 19548 11 1 1 . 1 1 4 4 LEU N N 4 123.391 123.391 123.848 -0.457 19548 12 1 1 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.763 0.020 19548 13 1 1 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.824 -1.233 19548 14 1 1 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.455 3.036 19548 15 1 1 . 1 1 4 4 LEU H H 4 8.793 8.793 8.039 0.754 19548 16 1 1 . 1 1 5 5 THR HA H 5 5.491 5.491 4.693 0.798 19548 17 1 1 . 1 1 5 5 THR CA C 5 61.148 61.148 61.681 -0.534 19548 18 1 1 . 1 1 5 5 THR CB C 5 69.731 69.731 70.144 -0.413 19548 19 1 1 . 1 1 6 6 ARG N N 6 125.087 125.087 121.361 3.726 19548 20 1 1 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.535 0.430 19548 21 1 1 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.139 -0.018 19548 22 1 1 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.073 6.334 19548 23 1 1 . 1 1 6 6 ARG H H 6 9.367 9.367 8.236 1.131 19548 24 1 1 . 1 1 7 7 LYS N N 7 123.260 123.260 122.721 0.539 19548 25 1 1 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.628 0.470 19548 26 1 1 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.871 -0.622 19548 27 1 1 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.327 -0.072 19548 28 1 1 . 1 1 7 7 LYS H H 7 9.406 9.406 8.324 1.082 19548 29 1 1 . 1 1 8 8 VAL N N 8 118.507 118.507 118.534 -0.027 19548 30 1 1 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.894 -0.587 19548 31 1 1 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.080 2.897 19548 32 1 1 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.630 0.942 19548 33 1 1 . 1 1 8 8 VAL H H 8 7.764 7.764 8.217 -0.453 19548 34 1 1 . 1 1 9 9 GLY N N 9 116.023 116.023 116.021 0.002 19548 35 1 1 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.970 -0.395 19548 36 1 1 . 1 1 9 9 GLY H H 9 9.238 9.238 9.250 -0.012 19548 37 1 1 . 1 1 10 10 GLU N N 10 119.392 119.392 119.793 -0.401 19548 38 1 1 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.855 0.037 19548 39 1 1 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.088 1.670 19548 40 1 1 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.904 -0.063 19548 41 1 1 . 1 1 10 10 GLU H H 10 8.401 8.401 7.858 0.543 19548 42 1 1 . 1 1 11 11 SER N N 11 112.280 112.280 113.192 -0.912 19548 43 1 1 . 1 1 11 11 SER HA H 11 5.870 5.870 5.372 0.498 19548 44 1 1 . 1 1 11 11 SER CA C 11 57.964 57.964 57.111 0.853 19548 45 1 1 . 1 1 11 11 SER CB C 11 66.971 66.971 66.154 0.817 19548 46 1 1 . 1 1 11 11 SER H H 11 8.618 8.618 8.330 0.288 19548 47 1 1 . 1 1 12 12 ILE N N 12 124.303 124.303 119.983 4.320 19548 48 1 1 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.582 -0.228 19548 49 1 1 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.226 0.755 19548 50 1 1 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.506 0.249 19548 51 1 1 . 1 1 12 12 ILE H H 12 9.328 9.328 8.912 0.416 19548 52 1 1 . 1 1 13 13 ASN N N 13 126.189 126.189 121.230 4.959 19548 53 1 1 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.388 -0.371 19548 54 1 1 . 1 1 13 13 ASN CA C 13 53.399 53.399 51.886 1.513 19548 55 1 1 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.815 -0.373 19548 56 1 1 . 1 1 13 13 ASN H H 13 9.395 9.395 8.364 1.030 19548 57 1 1 . 1 1 14 14 ILE N N 14 123.998 123.998 121.679 2.319 19548 58 1 1 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.415 0.030 19548 59 1 1 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.734 -0.195 19548 60 1 1 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.727 -3.218 19548 61 1 1 . 1 1 14 14 ILE H H 14 8.455 8.455 8.652 -0.197 19548 62 1 1 . 1 1 15 15 GLY N N 15 115.223 115.223 113.566 1.657 19548 63 1 1 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.521 -0.573 19548 64 1 1 . 1 1 15 15 GLY H H 15 9.039 9.039 8.739 0.300 19548 65 1 1 . 1 1 16 16 ASP N N 16 120.438 120.438 114.904 5.534 19548 66 1 1 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.314 0.598 19548 67 1 1 . 1 1 16 16 ASP CA C 16 55.306 55.306 55.627 -0.321 19548 68 1 1 . 1 1 16 16 ASP CB C 16 42.366 42.366 39.525 2.841 19548 69 1 1 . 1 1 16 16 ASP H H 16 8.714 8.714 8.305 0.409 19548 70 1 1 . 1 1 17 17 ASP N N 17 115.581 115.581 116.048 -0.467 19548 71 1 1 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.796 -0.068 19548 72 1 1 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.183 -0.004 19548 73 1 1 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.644 -1.111 19548 74 1 1 . 1 1 17 17 ASP H H 17 8.158 8.158 7.783 0.375 19548 75 1 1 . 1 1 18 18 ILE N N 18 118.645 118.645 119.957 -1.312 19548 76 1 1 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.156 0.032 19548 77 1 1 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.217 -0.132 19548 78 1 1 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.363 -2.667 19548 79 1 1 . 1 1 18 18 ILE H H 18 7.180 7.180 8.144 -0.964 19548 80 1 1 . 1 1 19 19 THR N N 19 122.845 122.845 121.165 1.680 19548 81 1 1 . 1 1 19 19 THR HA H 19 5.117 5.117 5.075 0.042 19548 82 1 1 . 1 1 19 19 THR CA C 19 61.009 61.009 61.523 -0.514 19548 83 1 1 . 1 1 19 19 THR CB C 19 71.661 71.661 72.254 -0.593 19548 84 1 1 . 1 1 19 19 THR H H 19 8.970 8.970 8.949 0.021 19548 85 1 1 . 1 1 20 20 ILE N N 20 123.857 123.857 122.571 1.286 19548 86 1 1 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.928 -0.036 19548 87 1 1 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.241 -0.290 19548 88 1 1 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.694 -1.356 19548 89 1 1 . 1 1 20 20 ILE H H 20 8.954 8.954 9.092 -0.138 19548 90 1 1 . 1 1 21 21 THR N N 21 123.681 123.681 121.519 2.162 19548 91 1 1 . 1 1 21 21 THR HA H 21 4.840 4.840 4.918 -0.078 19548 92 1 1 . 1 1 21 21 THR CA C 21 61.503 61.503 61.869 -0.366 19548 93 1 1 . 1 1 21 21 THR CB C 21 71.965 71.965 71.208 0.757 19548 94 1 1 . 1 1 21 21 THR H H 21 9.428 9.428 8.767 0.661 19548 95 1 1 . 1 1 22 22 ILE N N 22 125.758 125.758 128.579 -2.821 19548 96 1 1 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.198 -0.074 19548 97 1 1 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.441 -0.183 19548 98 1 1 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.861 -3.937 19548 99 1 1 . 1 1 22 22 ILE H H 22 8.131 8.131 8.341 -0.210 19548 100 1 1 . 1 1 23 23 LEU N N 23 129.382 129.382 130.208 -0.826 19548 101 1 1 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.221 0.298 19548 102 1 1 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.607 -0.033 19548 103 1 1 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.966 0.420 19548 104 1 1 . 1 1 23 23 LEU H H 23 8.893 8.893 8.215 0.678 19548 105 1 1 . 1 1 24 24 GLY N N 24 104.715 104.715 104.786 -0.071 19548 106 1 1 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.905 1.079 19548 107 1 1 . 1 1 24 24 GLY H H 24 7.559 7.559 7.548 0.011 19548 108 1 1 . 1 1 25 25 VAL N N 25 120.337 120.337 115.275 5.062 19548 109 1 1 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.600 0.047 19548 110 1 1 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.123 1.354 19548 111 1 1 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.071 0.662 19548 112 1 1 . 1 1 25 25 VAL H H 25 8.431 8.431 8.241 0.190 19548 113 1 1 . 1 1 26 26 SER N N 26 121.660 121.660 118.320 3.340 19548 114 1 1 . 1 1 26 26 SER HA H 26 4.658 4.658 4.725 -0.067 19548 115 1 1 . 1 1 26 26 SER CA C 26 56.395 56.395 58.245 -1.850 19548 116 1 1 . 1 1 26 26 SER CB C 26 63.731 63.731 63.934 -0.203 19548 117 1 1 . 1 1 26 26 SER H H 26 8.614 8.614 8.847 -0.233 19548 118 1 1 . 1 1 27 27 GLY N N 27 118.321 118.321 111.716 6.605 19548 119 1 1 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.749 1.712 19548 120 1 1 . 1 1 27 27 GLY H H 27 8.916 8.916 8.140 0.776 19548 121 1 1 . 1 1 28 28 GLN N N 28 124.491 124.491 123.091 1.400 19548 122 1 1 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.227 0.091 19548 123 1 1 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.614 -1.508 19548 124 1 1 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.795 0.943 19548 125 1 1 . 1 1 28 28 GLN H H 28 8.814 8.814 8.577 0.237 19548 126 1 1 . 1 1 29 29 GLN N N 29 117.410 117.410 119.529 -2.119 19548 127 1 1 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.424 0.239 19548 128 1 1 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.738 -0.354 19548 129 1 1 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.267 1.103 19548 130 1 1 . 1 1 29 29 GLN H H 29 8.310 8.310 7.544 0.766 19548 131 1 1 . 1 1 30 30 VAL N N 30 123.844 123.844 122.173 1.671 19548 132 1 1 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.244 0.306 19548 133 1 1 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.492 -0.862 19548 134 1 1 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.235 0.311 19548 135 1 1 . 1 1 30 30 VAL H H 30 9.146 9.146 8.389 0.757 19548 136 1 1 . 1 1 31 31 ARG N N 31 128.326 128.326 128.074 0.252 19548 137 1 1 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.641 0.010 19548 138 1 1 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.538 0.217 19548 139 1 1 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.529 0.318 19548 140 1 1 . 1 1 31 31 ARG H H 31 8.742 8.742 8.288 0.454 19548 141 1 1 . 1 1 32 32 ILE N N 32 127.673 127.673 122.534 5.139 19548 142 1 1 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.850 -0.217 19548 143 1 1 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.532 0.254 19548 144 1 1 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.373 -1.669 19548 145 1 1 . 1 1 32 32 ILE H H 32 9.018 9.018 8.387 0.631 19548 146 1 1 . 1 1 33 33 GLY N N 33 112.593 112.593 111.049 1.544 19548 147 1 1 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.728 0.984 19548 148 1 1 . 1 1 33 33 GLY H H 33 9.193 9.193 8.896 0.297 19548 149 1 1 . 1 1 34 34 ILE N N 34 125.160 125.160 119.852 5.308 19548 150 1 1 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.820 -0.017 19548 151 1 1 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.237 0.661 19548 152 1 1 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.499 -1.394 19548 153 1 1 . 1 1 34 34 ILE H H 34 9.635 9.635 8.171 1.464 19548 154 1 1 . 1 1 35 35 ASN N N 35 129.265 129.265 123.777 5.488 19548 155 1 1 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.990 0.100 19548 156 1 1 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.553 -0.442 19548 157 1 1 . 1 1 35 35 ASN CB C 35 40.176 40.176 41.007 -0.831 19548 158 1 1 . 1 1 35 35 ASN H H 35 9.012 9.012 8.895 0.117 19548 159 1 1 . 1 1 36 36 ALA N N 36 125.567 125.567 127.865 -2.298 19548 160 1 1 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.143 -0.083 19548 161 1 1 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.644 -0.315 19548 162 1 1 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.990 -1.007 19548 163 1 1 . 1 1 36 36 ALA H H 36 8.239 8.239 8.175 0.064 19548 164 1 1 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.563 -0.154 19548 165 1 1 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.214 0.687 19548 166 1 1 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.463 -0.064 19548 167 1 1 . 1 1 38 38 LYS N N 38 121.055 121.055 121.356 -0.301 19548 168 1 1 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.254 -0.483 19548 169 1 1 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.666 1.171 19548 170 1 1 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.856 -0.004 19548 171 1 1 . 1 1 38 38 LYS H H 38 8.559 8.559 8.569 -0.010 19548 172 1 1 . 1 1 39 39 ASP N N 39 113.847 113.847 119.016 -5.169 19548 173 1 1 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.482 -0.141 19548 174 1 1 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.225 -1.194 19548 175 1 1 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.953 -1.149 19548 176 1 1 . 1 1 39 39 ASP H H 39 8.139 8.139 8.397 -0.258 19548 177 1 1 . 1 1 40 40 VAL N N 40 122.630 122.630 114.491 8.139 19548 178 1 1 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.489 -0.538 19548 179 1 1 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.780 2.138 19548 180 1 1 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.244 -3.363 19548 181 1 1 . 1 1 40 40 VAL H H 40 8.009 8.009 7.479 0.530 19548 182 1 1 . 1 1 41 41 ALA N N 41 133.597 133.597 123.003 10.594 19548 183 1 1 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.855 -0.408 19548 184 1 1 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.160 1.089 19548 185 1 1 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.746 -1.659 19548 186 1 1 . 1 1 41 41 ALA H H 41 8.876 8.876 8.201 0.675 19548 187 1 1 . 1 1 42 42 VAL N N 42 125.047 125.047 117.230 7.817 19548 188 1 1 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.319 0.085 19548 189 1 1 . 1 1 42 42 VAL CA C 42 60.587 60.587 62.035 -1.448 19548 190 1 1 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.048 0.596 19548 191 1 1 . 1 1 42 42 VAL H H 42 7.805 7.805 7.837 -0.032 19548 192 1 1 . 1 1 43 43 HIS N N 43 118.998 118.998 123.539 -4.541 19548 193 1 1 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.749 0.732 19548 194 1 1 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.366 -1.396 19548 195 1 1 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.132 5.325 19548 196 1 1 . 1 1 43 43 HIS H H 43 8.657 8.657 8.213 0.444 19548 197 1 1 . 1 1 44 44 ARG N N 44 122.532 122.532 121.752 0.780 19548 198 1 1 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.261 -0.332 19548 199 1 1 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.561 1.840 19548 200 1 1 . 1 1 44 44 ARG H H 44 8.949 8.949 8.636 0.313 19548 201 1 1 . 1 1 45 45 GLU N N 45 126.110 126.110 123.149 2.961 19548 202 1 1 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.030 0.321 19548 203 1 1 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.498 0.194 19548 204 1 1 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.706 0.346 19548 205 1 1 . 1 1 45 45 GLU H H 45 7.878 7.878 9.054 -1.176 19548 206 1 1 . 1 1 46 46 GLU N N 46 118.207 118.207 118.604 -0.397 19548 207 1 1 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.198 0.053 19548 208 1 1 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.084 -0.379 19548 209 1 1 . 1 1 46 46 GLU CB C 46 27.062 27.062 28.998 -1.936 19548 210 1 1 . 1 1 46 46 GLU H H 46 10.784 10.784 8.743 2.041 19548 211 1 1 . 1 1 47 47 ILE N N 47 122.316 122.316 120.114 2.202 19548 212 1 1 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.865 -0.038 19548 213 1 1 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.852 -1.672 19548 214 1 1 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.423 -1.706 19548 215 1 1 . 1 1 47 47 ILE H H 47 7.229 7.229 7.453 -0.224 19548 216 1 1 . 1 1 48 48 TYR N N 48 122.269 122.269 121.262 1.007 19548 217 1 1 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.118 -0.473 19548 218 1 1 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.464 0.608 19548 219 1 1 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.382 0.667 19548 220 1 1 . 1 1 48 48 TYR H H 48 8.124 8.124 8.370 -0.246 19548 221 1 1 . 1 1 49 49 GLN N N 49 115.409 115.409 116.974 -1.565 19548 222 1 1 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.963 -0.127 19548 223 1 1 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.096 0.375 19548 224 1 1 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.355 -0.172 19548 225 1 1 . 1 1 49 49 GLN H H 49 8.604 8.604 7.744 0.860 19548 226 1 1 . 1 1 50 50 ARG N N 50 120.065 120.065 116.465 3.600 19548 227 1 1 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.194 -0.205 19548 228 1 1 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.242 1.760 19548 229 1 1 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.077 0.334 19548 230 1 1 . 1 1 50 50 ARG H H 50 7.165 7.165 7.486 -0.321 19548 231 1 1 . 1 1 51 51 ILE N N 51 120.716 120.716 117.924 2.792 19548 232 1 1 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.045 -0.428 19548 233 1 1 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.424 1.819 19548 234 1 1 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.059 -1.058 19548 235 1 1 . 1 1 51 51 ILE H H 51 7.884 7.884 7.588 0.296 19548 236 1 1 . 1 1 52 52 GLN N N 52 118.921 118.921 118.835 0.086 19548 237 1 1 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.969 -0.162 19548 238 1 1 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.318 1.054 19548 239 1 1 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.277 0.908 19548 240 1 1 . 1 1 52 52 GLN H H 52 7.905 7.905 7.936 -0.031 19548 241 1 1 . 1 1 53 53 ALA N N 53 120.638 120.638 120.323 0.315 19548 242 1 1 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.173 -0.004 19548 243 1 1 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.831 0.262 19548 244 1 1 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.801 -0.227 19548 245 1 1 . 1 1 53 53 ALA H H 53 7.601 7.601 7.730 -0.129 19548 246 1 1 . 1 1 54 54 GLY N N 54 105.799 105.799 104.329 1.470 19548 247 1 1 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.972 0.545 19548 248 1 1 . 1 1 54 54 GLY H H 54 7.720 7.720 7.761 -0.041 19548 249 1 1 . 1 1 55 55 LEU N N 55 120.711 120.711 117.012 3.699 19548 250 1 1 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.049 -0.727 19548 251 1 1 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.570 1.686 19548 252 1 1 . 1 1 55 55 LEU CB C 55 42.263 42.263 43.271 -1.008 19548 253 1 1 . 1 1 55 55 LEU H H 55 7.687 7.687 7.864 -0.177 19548 254 1 1 . 1 1 56 56 THR N N 56 113.068 113.068 111.849 1.219 19548 255 1 1 . 1 1 56 56 THR HA H 56 4.245 4.245 4.499 -0.254 19548 256 1 1 . 1 1 56 56 THR CA C 56 61.383 61.383 62.437 -1.054 19548 257 1 1 . 1 1 56 56 THR CB C 56 69.836 69.836 69.036 0.800 19548 258 1 1 . 1 1 56 56 THR H H 56 7.746 7.746 8.306 -0.560 19548 259 1 1 . 1 1 57 57 ALA N N 57 127.221 127.221 124.511 2.710 19548 260 1 1 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.675 -0.184 19548 261 1 1 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.173 0.367 19548 262 1 1 . 1 1 57 57 ALA CB C 57 18.338 18.338 18.784 -0.446 19548 263 1 1 . 1 1 57 57 ALA H H 57 8.065 8.065 7.786 0.279 19548 264 1 1 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.435 -0.120 19548 265 1 1 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.327 1.022 19548 266 1 1 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.406 -0.476 19548 267 1 2 . 1 1 2 2 LEU N N 2 124.817 124.817 124.996 -0.179 19548 268 1 2 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.818 -0.337 19548 269 1 2 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.462 0.039 19548 270 1 2 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.980 -0.570 19548 271 1 2 . 1 1 2 2 LEU H H 2 8.411 8.411 8.477 -0.066 19548 272 1 2 . 1 1 3 3 ILE N N 3 130.687 130.687 124.307 6.380 19548 273 1 2 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.300 0.679 19548 274 1 2 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.046 -1.025 19548 275 1 2 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.673 -0.689 19548 276 1 2 . 1 1 3 3 ILE H H 3 10.326 10.326 8.196 2.130 19548 277 1 2 . 1 1 4 4 LEU N N 4 123.391 123.391 125.503 -2.112 19548 278 1 2 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.791 -0.008 19548 279 1 2 . 1 1 4 4 LEU CA C 4 52.591 52.591 54.506 -1.915 19548 280 1 2 . 1 1 4 4 LEU CB C 4 46.491 46.491 44.762 1.729 19548 281 1 2 . 1 1 4 4 LEU H H 4 8.793 8.793 8.118 0.675 19548 282 1 2 . 1 1 5 5 THR HA H 5 5.491 5.491 4.998 0.493 19548 283 1 2 . 1 1 5 5 THR CA C 5 61.148 61.148 61.187 -0.039 19548 284 1 2 . 1 1 5 5 THR CB C 5 69.731 69.731 72.231 -2.500 19548 285 1 2 . 1 1 6 6 ARG N N 6 125.087 125.087 121.635 3.452 19548 286 1 2 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.463 0.502 19548 287 1 2 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.394 -0.273 19548 288 1 2 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.181 5.226 19548 289 1 2 . 1 1 6 6 ARG H H 6 9.367 9.367 8.478 0.889 19548 290 1 2 . 1 1 7 7 LYS N N 7 123.260 123.260 121.725 1.535 19548 291 1 2 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.742 0.356 19548 292 1 2 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.053 -0.804 19548 293 1 2 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.028 -0.773 19548 294 1 2 . 1 1 7 7 LYS H H 7 9.406 9.406 8.614 0.792 19548 295 1 2 . 1 1 8 8 VAL N N 8 118.507 118.507 118.124 0.383 19548 296 1 2 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.880 -0.573 19548 297 1 2 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.441 2.536 19548 298 1 2 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.172 0.400 19548 299 1 2 . 1 1 8 8 VAL H H 8 7.764 7.764 8.297 -0.533 19548 300 1 2 . 1 1 9 9 GLY N N 9 116.023 116.023 114.531 1.492 19548 301 1 2 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.813 -0.238 19548 302 1 2 . 1 1 9 9 GLY H H 9 9.238 9.238 9.226 0.012 19548 303 1 2 . 1 1 10 10 GLU N N 10 119.392 119.392 119.392 0.000 19548 304 1 2 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.809 0.083 19548 305 1 2 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.256 1.502 19548 306 1 2 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.725 0.116 19548 307 1 2 . 1 1 10 10 GLU H H 10 8.401 8.401 7.859 0.542 19548 308 1 2 . 1 1 11 11 SER N N 11 112.280 112.280 113.836 -1.556 19548 309 1 2 . 1 1 11 11 SER HA H 11 5.870 5.870 5.422 0.448 19548 310 1 2 . 1 1 11 11 SER CA C 11 57.964 57.964 56.861 1.103 19548 311 1 2 . 1 1 11 11 SER CB C 11 66.971 66.971 66.489 0.482 19548 312 1 2 . 1 1 11 11 SER H H 11 8.618 8.618 8.378 0.240 19548 313 1 2 . 1 1 12 12 ILE N N 12 124.303 124.303 119.622 4.681 19548 314 1 2 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.524 -0.170 19548 315 1 2 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.146 -0.165 19548 316 1 2 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.861 -0.106 19548 317 1 2 . 1 1 12 12 ILE H H 12 9.328 9.328 8.858 0.470 19548 318 1 2 . 1 1 13 13 ASN N N 13 126.189 126.189 119.958 6.231 19548 319 1 2 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.045 -0.028 19548 320 1 2 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.568 0.831 19548 321 1 2 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.673 -0.231 19548 322 1 2 . 1 1 13 13 ASN H H 13 9.395 9.395 8.448 0.947 19548 323 1 2 . 1 1 14 14 ILE N N 14 123.998 123.998 120.944 3.054 19548 324 1 2 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.482 -0.037 19548 325 1 2 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.585 -0.046 19548 326 1 2 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.596 -3.087 19548 327 1 2 . 1 1 14 14 ILE H H 14 8.455 8.455 8.348 0.107 19548 328 1 2 . 1 1 15 15 GLY N N 15 115.223 115.223 112.780 2.443 19548 329 1 2 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.196 -0.248 19548 330 1 2 . 1 1 15 15 GLY H H 15 9.039 9.039 8.594 0.445 19548 331 1 2 . 1 1 16 16 ASP N N 16 120.438 120.438 120.998 -0.560 19548 332 1 2 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.698 0.214 19548 333 1 2 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.071 1.235 19548 334 1 2 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.402 0.964 19548 335 1 2 . 1 1 16 16 ASP H H 16 8.714 8.714 8.326 0.388 19548 336 1 2 . 1 1 17 17 ASP N N 17 115.581 115.581 119.852 -4.271 19548 337 1 2 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.855 -0.127 19548 338 1 2 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.028 0.152 19548 339 1 2 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.965 -1.432 19548 340 1 2 . 1 1 17 17 ASP H H 17 8.158 8.158 7.872 0.286 19548 341 1 2 . 1 1 18 18 ILE N N 18 118.645 118.645 120.211 -1.566 19548 342 1 2 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.197 -0.009 19548 343 1 2 . 1 1 18 18 ILE CA C 18 60.085 60.085 59.950 0.135 19548 344 1 2 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.146 -2.450 19548 345 1 2 . 1 1 18 18 ILE H H 18 7.180 7.180 7.736 -0.556 19548 346 1 2 . 1 1 19 19 THR N N 19 122.845 122.845 120.604 2.241 19548 347 1 2 . 1 1 19 19 THR HA H 19 5.117 5.117 5.038 0.079 19548 348 1 2 . 1 1 19 19 THR CA C 19 61.009 61.009 61.380 -0.371 19548 349 1 2 . 1 1 19 19 THR CB C 19 71.661 71.661 72.476 -0.815 19548 350 1 2 . 1 1 19 19 THR H H 19 8.970 8.970 8.791 0.179 19548 351 1 2 . 1 1 20 20 ILE N N 20 123.857 123.857 122.045 1.812 19548 352 1 2 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.860 0.032 19548 353 1 2 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.441 -0.490 19548 354 1 2 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.963 -1.625 19548 355 1 2 . 1 1 20 20 ILE H H 20 8.954 8.954 9.130 -0.176 19548 356 1 2 . 1 1 21 21 THR N N 21 123.681 123.681 121.290 2.391 19548 357 1 2 . 1 1 21 21 THR HA H 21 4.840 4.840 4.930 -0.090 19548 358 1 2 . 1 1 21 21 THR CA C 21 61.503 61.503 61.498 0.005 19548 359 1 2 . 1 1 21 21 THR CB C 21 71.965 71.965 71.703 0.262 19548 360 1 2 . 1 1 21 21 THR H H 21 9.428 9.428 8.747 0.681 19548 361 1 2 . 1 1 22 22 ILE N N 22 125.758 125.758 128.521 -2.763 19548 362 1 2 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.276 -0.152 19548 363 1 2 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.021 0.237 19548 364 1 2 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.569 -3.645 19548 365 1 2 . 1 1 22 22 ILE H H 22 8.131 8.131 8.505 -0.374 19548 366 1 2 . 1 1 23 23 LEU N N 23 129.382 129.382 130.002 -0.620 19548 367 1 2 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.200 0.319 19548 368 1 2 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.796 -0.222 19548 369 1 2 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.904 0.482 19548 370 1 2 . 1 1 23 23 LEU H H 23 8.893 8.893 8.198 0.695 19548 371 1 2 . 1 1 24 24 GLY N N 24 104.715 104.715 104.158 0.557 19548 372 1 2 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.943 1.041 19548 373 1 2 . 1 1 24 24 GLY H H 24 7.559 7.559 7.582 -0.023 19548 374 1 2 . 1 1 25 25 VAL N N 25 120.337 120.337 116.319 4.018 19548 375 1 2 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.812 -0.165 19548 376 1 2 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.741 2.736 19548 377 1 2 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.189 0.544 19548 378 1 2 . 1 1 25 25 VAL H H 25 8.431 8.431 8.287 0.144 19548 379 1 2 . 1 1 26 26 SER N N 26 121.660 121.660 116.605 5.055 19548 380 1 2 . 1 1 26 26 SER HA H 26 4.658 4.658 4.595 0.063 19548 381 1 2 . 1 1 26 26 SER CA C 26 56.395 56.395 58.148 -1.753 19548 382 1 2 . 1 1 26 26 SER CB C 26 63.731 63.731 63.892 -0.161 19548 383 1 2 . 1 1 26 26 SER H H 26 8.614 8.614 8.954 -0.340 19548 384 1 2 . 1 1 27 27 GLY N N 27 118.321 118.321 112.135 6.186 19548 385 1 2 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.704 1.758 19548 386 1 2 . 1 1 27 27 GLY H H 27 8.916 8.916 8.210 0.706 19548 387 1 2 . 1 1 28 28 GLN N N 28 124.491 124.491 123.445 1.046 19548 388 1 2 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.237 0.081 19548 389 1 2 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.596 -1.491 19548 390 1 2 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.778 0.960 19548 391 1 2 . 1 1 28 28 GLN H H 28 8.814 8.814 8.565 0.249 19548 392 1 2 . 1 1 29 29 GLN N N 29 117.410 117.410 119.578 -2.168 19548 393 1 2 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.493 0.170 19548 394 1 2 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.350 0.034 19548 395 1 2 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.530 0.840 19548 396 1 2 . 1 1 29 29 GLN H H 29 8.310 8.310 7.577 0.733 19548 397 1 2 . 1 1 30 30 VAL N N 30 123.844 123.844 121.708 2.136 19548 398 1 2 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.329 0.221 19548 399 1 2 . 1 1 30 30 VAL CA C 30 60.630 60.630 60.880 -0.249 19548 400 1 2 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.880 -0.334 19548 401 1 2 . 1 1 30 30 VAL H H 30 9.146 9.146 8.411 0.735 19548 402 1 2 . 1 1 31 31 ARG N N 31 128.326 128.326 125.664 2.662 19548 403 1 2 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.771 -0.120 19548 404 1 2 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.729 1.026 19548 405 1 2 . 1 1 31 31 ARG CB C 31 31.847 31.847 32.367 -0.520 19548 406 1 2 . 1 1 31 31 ARG H H 31 8.742 8.742 8.789 -0.047 19548 407 1 2 . 1 1 32 32 ILE N N 32 127.673 127.673 122.294 5.379 19548 408 1 2 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.996 -0.363 19548 409 1 2 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.325 0.461 19548 410 1 2 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.200 -1.496 19548 411 1 2 . 1 1 32 32 ILE H H 32 9.018 9.018 8.502 0.516 19548 412 1 2 . 1 1 33 33 GLY N N 33 112.593 112.593 110.892 1.701 19548 413 1 2 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.821 0.891 19548 414 1 2 . 1 1 33 33 GLY H H 33 9.193 9.193 8.901 0.292 19548 415 1 2 . 1 1 34 34 ILE N N 34 125.160 125.160 119.962 5.198 19548 416 1 2 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.795 0.008 19548 417 1 2 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.259 0.639 19548 418 1 2 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.474 -1.369 19548 419 1 2 . 1 1 34 34 ILE H H 34 9.635 9.635 8.173 1.462 19548 420 1 2 . 1 1 35 35 ASN N N 35 129.265 129.265 123.845 5.420 19548 421 1 2 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.986 0.104 19548 422 1 2 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.614 -0.503 19548 423 1 2 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.788 -0.612 19548 424 1 2 . 1 1 35 35 ASN H H 35 9.012 9.012 8.756 0.256 19548 425 1 2 . 1 1 36 36 ALA N N 36 125.567 125.567 127.695 -2.128 19548 426 1 2 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.199 -0.139 19548 427 1 2 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.759 -0.430 19548 428 1 2 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.948 -0.965 19548 429 1 2 . 1 1 36 36 ALA H H 36 8.239 8.239 8.154 0.085 19548 430 1 2 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.569 -0.160 19548 431 1 2 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.173 0.728 19548 432 1 2 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.424 -0.025 19548 433 1 2 . 1 1 38 38 LYS N N 38 121.055 121.055 120.737 0.318 19548 434 1 2 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.233 -0.462 19548 435 1 2 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.455 1.382 19548 436 1 2 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.732 0.120 19548 437 1 2 . 1 1 38 38 LYS H H 38 8.559 8.559 8.483 0.076 19548 438 1 2 . 1 1 39 39 ASP N N 39 113.847 113.847 118.559 -4.712 19548 439 1 2 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.490 -0.149 19548 440 1 2 . 1 1 39 39 ASP CA C 39 54.031 54.031 54.796 -0.765 19548 441 1 2 . 1 1 39 39 ASP CB C 39 39.804 39.804 41.070 -1.266 19548 442 1 2 . 1 1 39 39 ASP H H 39 8.139 8.139 8.259 -0.120 19548 443 1 2 . 1 1 40 40 VAL N N 40 122.630 122.630 113.963 8.667 19548 444 1 2 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.497 -0.546 19548 445 1 2 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.696 2.222 19548 446 1 2 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.628 -3.747 19548 447 1 2 . 1 1 40 40 VAL H H 40 8.009 8.009 7.367 0.642 19548 448 1 2 . 1 1 41 41 ALA N N 41 133.597 133.597 123.747 9.850 19548 449 1 2 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.912 -0.465 19548 450 1 2 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.476 0.773 19548 451 1 2 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.450 -1.363 19548 452 1 2 . 1 1 41 41 ALA H H 41 8.876 8.876 8.184 0.692 19548 453 1 2 . 1 1 42 42 VAL N N 42 125.047 125.047 117.270 7.777 19548 454 1 2 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.301 0.103 19548 455 1 2 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.712 -1.125 19548 456 1 2 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.356 0.288 19548 457 1 2 . 1 1 42 42 VAL H H 42 7.805 7.805 7.632 0.173 19548 458 1 2 . 1 1 43 43 HIS N N 43 118.998 118.998 123.613 -4.615 19548 459 1 2 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.840 0.641 19548 460 1 2 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.248 -1.278 19548 461 1 2 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.514 4.943 19548 462 1 2 . 1 1 43 43 HIS H H 43 8.657 8.657 8.204 0.453 19548 463 1 2 . 1 1 44 44 ARG N N 44 122.532 122.532 121.179 1.353 19548 464 1 2 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.369 -0.440 19548 465 1 2 . 1 1 44 44 ARG CA C 44 58.401 58.401 55.778 2.623 19548 466 1 2 . 1 1 44 44 ARG H H 44 8.949 8.949 8.615 0.334 19548 467 1 2 . 1 1 45 45 GLU N N 45 126.110 126.110 121.813 4.297 19548 468 1 2 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.008 0.343 19548 469 1 2 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.641 0.052 19548 470 1 2 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.609 0.443 19548 471 1 2 . 1 1 45 45 GLU H H 45 7.878 7.878 8.949 -1.071 19548 472 1 2 . 1 1 46 46 GLU N N 46 118.207 118.207 118.674 -0.467 19548 473 1 2 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.182 0.069 19548 474 1 2 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.119 -0.414 19548 475 1 2 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.494 -2.432 19548 476 1 2 . 1 1 46 46 GLU H H 46 10.784 10.784 8.605 2.179 19548 477 1 2 . 1 1 47 47 ILE N N 47 122.316 122.316 119.321 2.995 19548 478 1 2 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.883 -0.056 19548 479 1 2 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.154 -0.974 19548 480 1 2 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.693 -1.976 19548 481 1 2 . 1 1 47 47 ILE H H 47 7.229 7.229 7.685 -0.456 19548 482 1 2 . 1 1 48 48 TYR N N 48 122.269 122.269 122.037 0.232 19548 483 1 2 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.053 -0.408 19548 484 1 2 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.972 0.100 19548 485 1 2 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.126 0.923 19548 486 1 2 . 1 1 48 48 TYR H H 48 8.124 8.124 8.312 -0.188 19548 487 1 2 . 1 1 49 49 GLN N N 49 115.409 115.409 115.979 -0.570 19548 488 1 2 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.926 -0.090 19548 489 1 2 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.797 0.674 19548 490 1 2 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.420 -0.237 19548 491 1 2 . 1 1 49 49 GLN H H 49 8.604 8.604 7.961 0.643 19548 492 1 2 . 1 1 50 50 ARG N N 50 120.065 120.065 116.302 3.763 19548 493 1 2 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.228 -0.239 19548 494 1 2 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.840 2.162 19548 495 1 2 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.300 0.111 19548 496 1 2 . 1 1 50 50 ARG H H 50 7.165 7.165 7.487 -0.322 19548 497 1 2 . 1 1 51 51 ILE N N 51 120.716 120.716 118.312 2.404 19548 498 1 2 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.065 -0.448 19548 499 1 2 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.328 1.915 19548 500 1 2 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.046 -1.045 19548 501 1 2 . 1 1 51 51 ILE H H 51 7.884 7.884 7.579 0.305 19548 502 1 2 . 1 1 52 52 GLN N N 52 118.921 118.921 118.678 0.243 19548 503 1 2 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.061 -0.254 19548 504 1 2 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.614 1.758 19548 505 1 2 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.223 0.962 19548 506 1 2 . 1 1 52 52 GLN H H 52 7.905 7.905 7.791 0.114 19548 507 1 2 . 1 1 53 53 ALA N N 53 120.638 120.638 121.209 -0.571 19548 508 1 2 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.134 0.035 19548 509 1 2 . 1 1 53 53 ALA CA C 53 53.093 53.093 53.216 -0.123 19548 510 1 2 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.945 -0.371 19548 511 1 2 . 1 1 53 53 ALA H H 53 7.601 7.601 8.021 -0.420 19548 512 1 2 . 1 1 54 54 GLY N N 54 105.799 105.799 103.993 1.806 19548 513 1 2 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.011 0.506 19548 514 1 2 . 1 1 54 54 GLY H H 54 7.720 7.720 7.868 -0.148 19548 515 1 2 . 1 1 55 55 LEU N N 55 120.711 120.711 116.162 4.549 19548 516 1 2 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.817 -0.495 19548 517 1 2 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.155 0.101 19548 518 1 2 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.824 -0.561 19548 519 1 2 . 1 1 55 55 LEU H H 55 7.687 7.687 7.576 0.111 19548 520 1 2 . 1 1 56 56 THR N N 56 113.068 113.068 115.103 -2.035 19548 521 1 2 . 1 1 56 56 THR HA H 56 4.245 4.245 3.873 0.372 19548 522 1 2 . 1 1 56 56 THR CA C 56 61.383 61.383 63.707 -2.324 19548 523 1 2 . 1 1 56 56 THR CB C 56 69.836 69.836 66.769 3.067 19548 524 1 2 . 1 1 56 56 THR H H 56 7.746 7.746 7.961 -0.215 19548 525 1 2 . 1 1 57 57 ALA N N 57 127.221 127.221 120.936 6.285 19548 526 1 2 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.555 -0.064 19548 527 1 2 . 1 1 57 57 ALA CA C 57 50.540 50.540 49.759 0.781 19548 528 1 2 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.108 -1.770 19548 529 1 2 . 1 1 57 57 ALA H H 57 8.065 8.065 7.373 0.692 19548 530 1 2 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.188 0.127 19548 531 1 2 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.129 -0.780 19548 532 1 2 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.169 -0.239 19548 533 1 3 . 1 1 2 2 LEU N N 2 124.817 124.817 126.996 -2.179 19548 534 1 3 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.855 -0.374 19548 535 1 3 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.037 -0.535 19548 536 1 3 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.562 -0.152 19548 537 1 3 . 1 1 2 2 LEU H H 2 8.411 8.411 8.548 -0.137 19548 538 1 3 . 1 1 3 3 ILE N N 3 130.687 130.687 124.640 6.047 19548 539 1 3 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.322 0.657 19548 540 1 3 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.069 -1.048 19548 541 1 3 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.928 -0.944 19548 542 1 3 . 1 1 3 3 ILE H H 3 10.326 10.326 8.431 1.895 19548 543 1 3 . 1 1 4 4 LEU N N 4 123.391 123.391 124.401 -1.010 19548 544 1 3 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.799 -0.016 19548 545 1 3 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.850 -1.259 19548 546 1 3 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.539 2.952 19548 547 1 3 . 1 1 4 4 LEU H H 4 8.793 8.793 8.129 0.664 19548 548 1 3 . 1 1 5 5 THR HA H 5 5.491 5.491 4.680 0.811 19548 549 1 3 . 1 1 5 5 THR CA C 5 61.148 61.148 61.670 -0.522 19548 550 1 3 . 1 1 5 5 THR CB C 5 69.731 69.731 69.720 0.011 19548 551 1 3 . 1 1 6 6 ARG N N 6 125.087 125.087 121.987 3.100 19548 552 1 3 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.490 0.475 19548 553 1 3 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.943 -0.822 19548 554 1 3 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.378 6.029 19548 555 1 3 . 1 1 6 6 ARG H H 6 9.367 9.367 8.334 1.033 19548 556 1 3 . 1 1 7 7 LYS N N 7 123.260 123.260 122.516 0.744 19548 557 1 3 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.571 0.527 19548 558 1 3 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.679 -0.430 19548 559 1 3 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.331 -0.076 19548 560 1 3 . 1 1 7 7 LYS H H 7 9.406 9.406 8.475 0.931 19548 561 1 3 . 1 1 8 8 VAL N N 8 118.507 118.507 118.606 -0.099 19548 562 1 3 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.991 -0.684 19548 563 1 3 . 1 1 8 8 VAL CA C 8 65.977 65.977 62.565 3.412 19548 564 1 3 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.322 0.250 19548 565 1 3 . 1 1 8 8 VAL H H 8 7.764 7.764 8.257 -0.493 19548 566 1 3 . 1 1 9 9 GLY N N 9 116.023 116.023 114.770 1.253 19548 567 1 3 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.998 -0.423 19548 568 1 3 . 1 1 9 9 GLY H H 9 9.238 9.238 9.300 -0.062 19548 569 1 3 . 1 1 10 10 GLU N N 10 119.392 119.392 119.764 -0.372 19548 570 1 3 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.861 0.031 19548 571 1 3 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.114 1.644 19548 572 1 3 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.870 -0.029 19548 573 1 3 . 1 1 10 10 GLU H H 10 8.401 8.401 7.866 0.535 19548 574 1 3 . 1 1 11 11 SER N N 11 112.280 112.280 113.166 -0.886 19548 575 1 3 . 1 1 11 11 SER HA H 11 5.870 5.870 5.440 0.430 19548 576 1 3 . 1 1 11 11 SER CA C 11 57.964 57.964 57.077 0.888 19548 577 1 3 . 1 1 11 11 SER CB C 11 66.971 66.971 66.194 0.777 19548 578 1 3 . 1 1 11 11 SER H H 11 8.618 8.618 8.330 0.288 19548 579 1 3 . 1 1 12 12 ILE N N 12 124.303 124.303 119.957 4.346 19548 580 1 3 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.601 -0.247 19548 581 1 3 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.202 0.779 19548 582 1 3 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.474 0.282 19548 583 1 3 . 1 1 12 12 ILE H H 12 9.328 9.328 8.879 0.449 19548 584 1 3 . 1 1 13 13 ASN N N 13 126.189 126.189 120.254 5.935 19548 585 1 3 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.254 -0.237 19548 586 1 3 . 1 1 13 13 ASN CA C 13 53.399 53.399 51.992 1.407 19548 587 1 3 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.858 -0.416 19548 588 1 3 . 1 1 13 13 ASN H H 13 9.395 9.395 8.402 0.993 19548 589 1 3 . 1 1 14 14 ILE N N 14 123.998 123.998 120.534 3.464 19548 590 1 3 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.384 0.061 19548 591 1 3 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.831 -0.292 19548 592 1 3 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.364 -2.855 19548 593 1 3 . 1 1 14 14 ILE H H 14 8.455 8.455 8.863 -0.408 19548 594 1 3 . 1 1 15 15 GLY N N 15 115.223 115.223 113.932 1.291 19548 595 1 3 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.468 -0.520 19548 596 1 3 . 1 1 15 15 GLY H H 15 9.039 9.039 8.998 0.041 19548 597 1 3 . 1 1 16 16 ASP N N 16 120.438 120.438 113.903 6.535 19548 598 1 3 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.269 0.643 19548 599 1 3 . 1 1 16 16 ASP CA C 16 55.306 55.306 55.120 0.186 19548 600 1 3 . 1 1 16 16 ASP CB C 16 42.366 42.366 39.405 2.961 19548 601 1 3 . 1 1 16 16 ASP H H 16 8.714 8.714 8.290 0.424 19548 602 1 3 . 1 1 17 17 ASP N N 17 115.581 115.581 115.456 0.125 19548 603 1 3 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.801 -0.073 19548 604 1 3 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.033 0.146 19548 605 1 3 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.502 -0.969 19548 606 1 3 . 1 1 17 17 ASP H H 17 8.158 8.158 7.661 0.497 19548 607 1 3 . 1 1 18 18 ILE N N 18 118.645 118.645 119.820 -1.175 19548 608 1 3 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.102 0.086 19548 609 1 3 . 1 1 18 18 ILE CA C 18 60.085 60.085 59.983 0.102 19548 610 1 3 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.516 -2.820 19548 611 1 3 . 1 1 18 18 ILE H H 18 7.180 7.180 8.073 -0.893 19548 612 1 3 . 1 1 19 19 THR N N 19 122.845 122.845 120.389 2.456 19548 613 1 3 . 1 1 19 19 THR HA H 19 5.117 5.117 5.069 0.048 19548 614 1 3 . 1 1 19 19 THR CA C 19 61.009 61.009 61.209 -0.200 19548 615 1 3 . 1 1 19 19 THR CB C 19 71.661 71.661 72.332 -0.671 19548 616 1 3 . 1 1 19 19 THR H H 19 8.970 8.970 8.759 0.211 19548 617 1 3 . 1 1 20 20 ILE N N 20 123.857 123.857 122.526 1.331 19548 618 1 3 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.891 0.001 19548 619 1 3 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.077 -0.126 19548 620 1 3 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.431 -1.093 19548 621 1 3 . 1 1 20 20 ILE H H 20 8.954 8.954 9.121 -0.167 19548 622 1 3 . 1 1 21 21 THR N N 21 123.681 123.681 121.874 1.807 19548 623 1 3 . 1 1 21 21 THR HA H 21 4.840 4.840 4.926 -0.086 19548 624 1 3 . 1 1 21 21 THR CA C 21 61.503 61.503 61.757 -0.254 19548 625 1 3 . 1 1 21 21 THR CB C 21 71.965 71.965 70.977 0.988 19548 626 1 3 . 1 1 21 21 THR H H 21 9.428 9.428 8.881 0.547 19548 627 1 3 . 1 1 22 22 ILE N N 22 125.758 125.758 128.826 -3.068 19548 628 1 3 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.257 -0.133 19548 629 1 3 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.942 0.316 19548 630 1 3 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.607 -3.683 19548 631 1 3 . 1 1 22 22 ILE H H 22 8.131 8.131 8.326 -0.195 19548 632 1 3 . 1 1 23 23 LEU N N 23 129.382 129.382 128.690 0.692 19548 633 1 3 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.277 0.242 19548 634 1 3 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.094 -0.520 19548 635 1 3 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.794 0.592 19548 636 1 3 . 1 1 23 23 LEU H H 23 8.893 8.893 8.234 0.659 19548 637 1 3 . 1 1 24 24 GLY N N 24 104.715 104.715 104.452 0.263 19548 638 1 3 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.878 1.106 19548 639 1 3 . 1 1 24 24 GLY H H 24 7.559 7.559 7.535 0.024 19548 640 1 3 . 1 1 25 25 VAL N N 25 120.337 120.337 115.549 4.788 19548 641 1 3 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.619 0.028 19548 642 1 3 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.034 1.443 19548 643 1 3 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.254 0.479 19548 644 1 3 . 1 1 25 25 VAL H H 25 8.431 8.431 8.157 0.274 19548 645 1 3 . 1 1 26 26 SER N N 26 121.660 121.660 117.628 4.032 19548 646 1 3 . 1 1 26 26 SER HA H 26 4.658 4.658 4.604 0.054 19548 647 1 3 . 1 1 26 26 SER CA C 26 56.395 56.395 58.370 -1.975 19548 648 1 3 . 1 1 26 26 SER CB C 26 63.731 63.731 63.921 -0.190 19548 649 1 3 . 1 1 26 26 SER H H 26 8.614 8.614 8.988 -0.374 19548 650 1 3 . 1 1 27 27 GLY N N 27 118.321 118.321 113.016 5.305 19548 651 1 3 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.700 1.762 19548 652 1 3 . 1 1 27 27 GLY H H 27 8.916 8.916 8.192 0.724 19548 653 1 3 . 1 1 28 28 GLN N N 28 124.491 124.491 123.350 1.141 19548 654 1 3 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.232 0.086 19548 655 1 3 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.567 -1.462 19548 656 1 3 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.747 0.991 19548 657 1 3 . 1 1 28 28 GLN H H 28 8.814 8.814 8.568 0.246 19548 658 1 3 . 1 1 29 29 GLN N N 29 117.410 117.410 119.411 -2.001 19548 659 1 3 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.486 0.177 19548 660 1 3 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.223 0.161 19548 661 1 3 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.730 0.641 19548 662 1 3 . 1 1 29 29 GLN H H 29 8.310 8.310 7.541 0.769 19548 663 1 3 . 1 1 30 30 VAL N N 30 123.844 123.844 122.657 1.187 19548 664 1 3 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.315 0.235 19548 665 1 3 . 1 1 30 30 VAL CA C 30 60.630 60.630 60.791 -0.161 19548 666 1 3 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.743 -0.197 19548 667 1 3 . 1 1 30 30 VAL H H 30 9.146 9.146 8.423 0.723 19548 668 1 3 . 1 1 31 31 ARG N N 31 128.326 128.326 127.259 1.067 19548 669 1 3 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.701 -0.050 19548 670 1 3 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.067 0.688 19548 671 1 3 . 1 1 31 31 ARG CB C 31 31.847 31.847 32.004 -0.157 19548 672 1 3 . 1 1 31 31 ARG H H 31 8.742 8.742 8.543 0.199 19548 673 1 3 . 1 1 32 32 ILE N N 32 127.673 127.673 122.640 5.033 19548 674 1 3 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.930 -0.297 19548 675 1 3 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.448 0.338 19548 676 1 3 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.167 -1.464 19548 677 1 3 . 1 1 32 32 ILE H H 32 9.018 9.018 8.475 0.543 19548 678 1 3 . 1 1 33 33 GLY N N 33 112.593 112.593 111.479 1.114 19548 679 1 3 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.673 1.039 19548 680 1 3 . 1 1 33 33 GLY H H 33 9.193 9.193 8.903 0.290 19548 681 1 3 . 1 1 34 34 ILE N N 34 125.160 125.160 120.008 5.152 19548 682 1 3 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.836 -0.033 19548 683 1 3 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.201 0.697 19548 684 1 3 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.510 -1.405 19548 685 1 3 . 1 1 34 34 ILE H H 34 9.635 9.635 8.170 1.465 19548 686 1 3 . 1 1 35 35 ASN N N 35 129.265 129.265 123.848 5.417 19548 687 1 3 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.981 0.109 19548 688 1 3 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.555 -0.444 19548 689 1 3 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.723 -0.547 19548 690 1 3 . 1 1 35 35 ASN H H 35 9.012 9.012 8.891 0.121 19548 691 1 3 . 1 1 36 36 ALA N N 36 125.567 125.567 127.646 -2.079 19548 692 1 3 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.170 -0.110 19548 693 1 3 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.513 -0.184 19548 694 1 3 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.993 -1.010 19548 695 1 3 . 1 1 36 36 ALA H H 36 8.239 8.239 8.137 0.102 19548 696 1 3 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.561 -0.152 19548 697 1 3 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.292 0.609 19548 698 1 3 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.791 -0.392 19548 699 1 3 . 1 1 38 38 LYS N N 38 121.055 121.055 121.487 -0.432 19548 700 1 3 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.037 -0.266 19548 701 1 3 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.841 0.996 19548 702 1 3 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.939 -0.087 19548 703 1 3 . 1 1 38 38 LYS H H 38 8.559 8.559 8.700 -0.141 19548 704 1 3 . 1 1 39 39 ASP N N 39 113.847 113.847 118.148 -4.301 19548 705 1 3 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.497 -0.156 19548 706 1 3 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.699 -1.668 19548 707 1 3 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.955 -1.151 19548 708 1 3 . 1 1 39 39 ASP H H 39 8.139 8.139 8.289 -0.150 19548 709 1 3 . 1 1 40 40 VAL N N 40 122.630 122.630 115.064 7.566 19548 710 1 3 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.456 -0.505 19548 711 1 3 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.677 2.241 19548 712 1 3 . 1 1 40 40 VAL CB C 40 31.881 31.881 34.918 -3.037 19548 713 1 3 . 1 1 40 40 VAL H H 40 8.009 8.009 7.594 0.415 19548 714 1 3 . 1 1 41 41 ALA N N 41 133.597 133.597 123.234 10.363 19548 715 1 3 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.751 -0.304 19548 716 1 3 . 1 1 41 41 ALA CA C 41 52.249 52.249 50.925 1.324 19548 717 1 3 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.113 -1.026 19548 718 1 3 . 1 1 41 41 ALA H H 41 8.876 8.876 8.224 0.652 19548 719 1 3 . 1 1 42 42 VAL N N 42 125.047 125.047 117.880 7.167 19548 720 1 3 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.416 -0.012 19548 721 1 3 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.167 -0.580 19548 722 1 3 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.481 0.163 19548 723 1 3 . 1 1 42 42 VAL H H 42 7.805 7.805 7.877 -0.072 19548 724 1 3 . 1 1 43 43 HIS N N 43 118.998 118.998 122.853 -3.855 19548 725 1 3 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.814 0.667 19548 726 1 3 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.356 -1.386 19548 727 1 3 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.257 5.200 19548 728 1 3 . 1 1 43 43 HIS H H 43 8.657 8.657 8.348 0.309 19548 729 1 3 . 1 1 44 44 ARG N N 44 122.532 122.532 121.539 0.993 19548 730 1 3 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.302 -0.373 19548 731 1 3 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.074 2.327 19548 732 1 3 . 1 1 44 44 ARG H H 44 8.949 8.949 8.716 0.233 19548 733 1 3 . 1 1 45 45 GLU N N 45 126.110 126.110 122.625 3.485 19548 734 1 3 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.031 0.320 19548 735 1 3 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.687 0.005 19548 736 1 3 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.740 0.312 19548 737 1 3 . 1 1 45 45 GLU H H 45 7.878 7.878 8.928 -1.050 19548 738 1 3 . 1 1 46 46 GLU N N 46 118.207 118.207 118.292 -0.085 19548 739 1 3 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.157 0.094 19548 740 1 3 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.013 -0.308 19548 741 1 3 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.375 -2.313 19548 742 1 3 . 1 1 46 46 GLU H H 46 10.784 10.784 8.608 2.176 19548 743 1 3 . 1 1 47 47 ILE N N 47 122.316 122.316 120.289 2.027 19548 744 1 3 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.860 -0.033 19548 745 1 3 . 1 1 47 47 ILE CA C 47 61.180 61.180 63.037 -1.857 19548 746 1 3 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.566 -2.849 19548 747 1 3 . 1 1 47 47 ILE H H 47 7.229 7.229 7.489 -0.260 19548 748 1 3 . 1 1 48 48 TYR N N 48 122.269 122.269 121.695 0.574 19548 749 1 3 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.991 -0.346 19548 750 1 3 . 1 1 48 48 TYR CA C 48 62.072 62.072 62.083 -0.011 19548 751 1 3 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.178 0.871 19548 752 1 3 . 1 1 48 48 TYR H H 48 8.124 8.124 8.699 -0.575 19548 753 1 3 . 1 1 49 49 GLN N N 49 115.409 115.409 116.515 -1.106 19548 754 1 3 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.977 -0.141 19548 755 1 3 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.026 0.445 19548 756 1 3 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.335 -0.152 19548 757 1 3 . 1 1 49 49 GLN H H 49 8.604 8.604 7.996 0.608 19548 758 1 3 . 1 1 50 50 ARG N N 50 120.065 120.065 116.840 3.225 19548 759 1 3 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.220 -0.231 19548 760 1 3 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.107 1.895 19548 761 1 3 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.255 0.156 19548 762 1 3 . 1 1 50 50 ARG H H 50 7.165 7.165 7.604 -0.439 19548 763 1 3 . 1 1 51 51 ILE N N 51 120.716 120.716 118.032 2.684 19548 764 1 3 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.070 -0.453 19548 765 1 3 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.455 1.788 19548 766 1 3 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.068 -1.067 19548 767 1 3 . 1 1 51 51 ILE H H 51 7.884 7.884 7.527 0.357 19548 768 1 3 . 1 1 52 52 GLN N N 52 118.921 118.921 118.743 0.178 19548 769 1 3 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.947 -0.140 19548 770 1 3 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.444 0.928 19548 771 1 3 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.274 0.911 19548 772 1 3 . 1 1 52 52 GLN H H 52 7.905 7.905 7.851 0.054 19548 773 1 3 . 1 1 53 53 ALA N N 53 120.638 120.638 120.314 0.324 19548 774 1 3 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.170 -0.001 19548 775 1 3 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.836 0.257 19548 776 1 3 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.818 -0.244 19548 777 1 3 . 1 1 53 53 ALA H H 53 7.601 7.601 7.730 -0.129 19548 778 1 3 . 1 1 54 54 GLY N N 54 105.799 105.799 104.325 1.474 19548 779 1 3 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.947 0.570 19548 780 1 3 . 1 1 54 54 GLY H H 54 7.720 7.720 7.807 -0.087 19548 781 1 3 . 1 1 55 55 LEU N N 55 120.711 120.711 117.323 3.388 19548 782 1 3 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.054 -0.732 19548 783 1 3 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.729 1.527 19548 784 1 3 . 1 1 55 55 LEU CB C 55 42.263 42.263 43.173 -0.910 19548 785 1 3 . 1 1 55 55 LEU H H 55 7.687 7.687 7.990 -0.303 19548 786 1 3 . 1 1 56 56 THR N N 56 113.068 113.068 107.520 5.548 19548 787 1 3 . 1 1 56 56 THR HA H 56 4.245 4.245 4.426 -0.181 19548 788 1 3 . 1 1 56 56 THR CA C 56 61.383 61.383 61.599 -0.216 19548 789 1 3 . 1 1 56 56 THR CB C 56 69.836 69.836 69.427 0.409 19548 790 1 3 . 1 1 56 56 THR H H 56 7.746 7.746 8.189 -0.443 19548 791 1 3 . 1 1 57 57 ALA N N 57 127.221 127.221 124.244 2.977 19548 792 1 3 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.759 -0.268 19548 793 1 3 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.590 -0.050 19548 794 1 3 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.755 -2.417 19548 795 1 3 . 1 1 57 57 ALA H H 57 8.065 8.065 7.496 0.569 19548 796 1 3 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.211 0.104 19548 797 1 3 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.004 -0.655 19548 798 1 3 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.192 -0.262 19548 799 1 4 . 1 1 2 2 LEU N N 2 124.817 124.817 126.352 -1.535 19548 800 1 4 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.809 -0.328 19548 801 1 4 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.125 -0.623 19548 802 1 4 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.462 -0.052 19548 803 1 4 . 1 1 2 2 LEU H H 2 8.411 8.411 8.486 -0.075 19548 804 1 4 . 1 1 3 3 ILE N N 3 130.687 130.687 124.874 5.813 19548 805 1 4 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.405 0.574 19548 806 1 4 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.256 -1.235 19548 807 1 4 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.909 -0.925 19548 808 1 4 . 1 1 3 3 ILE H H 3 10.326 10.326 8.402 1.924 19548 809 1 4 . 1 1 4 4 LEU N N 4 123.391 123.391 123.768 -0.377 19548 810 1 4 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.766 0.017 19548 811 1 4 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.812 -1.222 19548 812 1 4 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.445 3.046 19548 813 1 4 . 1 1 4 4 LEU H H 4 8.793 8.793 8.008 0.785 19548 814 1 4 . 1 1 5 5 THR HA H 5 5.491 5.491 4.706 0.785 19548 815 1 4 . 1 1 5 5 THR CA C 5 61.148 61.148 61.724 -0.577 19548 816 1 4 . 1 1 5 5 THR CB C 5 69.731 69.731 70.252 -0.521 19548 817 1 4 . 1 1 6 6 ARG N N 6 125.087 125.087 121.205 3.882 19548 818 1 4 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.544 0.421 19548 819 1 4 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.224 -0.103 19548 820 1 4 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.578 5.829 19548 821 1 4 . 1 1 6 6 ARG H H 6 9.367 9.367 8.429 0.938 19548 822 1 4 . 1 1 7 7 LYS N N 7 123.260 123.260 121.653 1.607 19548 823 1 4 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.638 0.460 19548 824 1 4 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.634 -0.385 19548 825 1 4 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.331 -0.076 19548 826 1 4 . 1 1 7 7 LYS H H 7 9.406 9.406 8.322 1.084 19548 827 1 4 . 1 1 8 8 VAL N N 8 118.507 118.507 120.108 -1.601 19548 828 1 4 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.925 -0.618 19548 829 1 4 . 1 1 8 8 VAL CA C 8 65.977 65.977 62.745 3.232 19548 830 1 4 . 1 1 8 8 VAL CB C 8 31.572 31.572 29.812 1.760 19548 831 1 4 . 1 1 8 8 VAL H H 8 7.764 7.764 8.489 -0.725 19548 832 1 4 . 1 1 9 9 GLY N N 9 116.023 116.023 116.587 -0.564 19548 833 1 4 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.863 -0.288 19548 834 1 4 . 1 1 9 9 GLY H H 9 9.238 9.238 9.063 0.175 19548 835 1 4 . 1 1 10 10 GLU N N 10 119.392 119.392 121.325 -1.933 19548 836 1 4 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.768 0.124 19548 837 1 4 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.649 1.109 19548 838 1 4 . 1 1 10 10 GLU CB C 10 32.841 32.841 31.613 1.228 19548 839 1 4 . 1 1 10 10 GLU H H 10 8.401 8.401 8.246 0.155 19548 840 1 4 . 1 1 11 11 SER N N 11 112.280 112.280 112.578 -0.298 19548 841 1 4 . 1 1 11 11 SER HA H 11 5.870 5.870 5.340 0.530 19548 842 1 4 . 1 1 11 11 SER CA C 11 57.964 57.964 57.127 0.837 19548 843 1 4 . 1 1 11 11 SER CB C 11 66.971 66.971 66.253 0.718 19548 844 1 4 . 1 1 11 11 SER H H 11 8.618 8.618 8.275 0.343 19548 845 1 4 . 1 1 12 12 ILE N N 12 124.303 124.303 119.240 5.063 19548 846 1 4 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.492 -0.138 19548 847 1 4 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.224 -0.242 19548 848 1 4 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.867 -0.112 19548 849 1 4 . 1 1 12 12 ILE H H 12 9.328 9.328 8.831 0.497 19548 850 1 4 . 1 1 13 13 ASN N N 13 126.189 126.189 119.968 6.221 19548 851 1 4 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.342 -0.325 19548 852 1 4 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.207 1.192 19548 853 1 4 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.884 -0.442 19548 854 1 4 . 1 1 13 13 ASN H H 13 9.395 9.395 8.391 1.004 19548 855 1 4 . 1 1 14 14 ILE N N 14 123.998 123.998 120.451 3.547 19548 856 1 4 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.396 0.049 19548 857 1 4 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.745 -0.205 19548 858 1 4 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.459 -2.950 19548 859 1 4 . 1 1 14 14 ILE H H 14 8.455 8.455 8.903 -0.448 19548 860 1 4 . 1 1 15 15 GLY N N 15 115.223 115.223 113.309 1.914 19548 861 1 4 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.451 -0.503 19548 862 1 4 . 1 1 15 15 GLY H H 15 9.039 9.039 8.912 0.127 19548 863 1 4 . 1 1 16 16 ASP N N 16 120.438 120.438 114.822 5.616 19548 864 1 4 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.207 0.705 19548 865 1 4 . 1 1 16 16 ASP CA C 16 55.306 55.306 55.604 -0.298 19548 866 1 4 . 1 1 16 16 ASP CB C 16 42.366 42.366 39.466 2.900 19548 867 1 4 . 1 1 16 16 ASP H H 16 8.714 8.714 8.476 0.238 19548 868 1 4 . 1 1 17 17 ASP N N 17 115.581 115.581 116.016 -0.435 19548 869 1 4 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.800 -0.072 19548 870 1 4 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.168 0.011 19548 871 1 4 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.630 -1.097 19548 872 1 4 . 1 1 17 17 ASP H H 17 8.158 8.158 7.808 0.350 19548 873 1 4 . 1 1 18 18 ILE N N 18 118.645 118.645 119.905 -1.260 19548 874 1 4 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.058 0.130 19548 875 1 4 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.267 -0.182 19548 876 1 4 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.366 -2.670 19548 877 1 4 . 1 1 18 18 ILE H H 18 7.180 7.180 8.118 -0.938 19548 878 1 4 . 1 1 19 19 THR N N 19 122.845 122.845 121.592 1.253 19548 879 1 4 . 1 1 19 19 THR HA H 19 5.117 5.117 5.050 0.067 19548 880 1 4 . 1 1 19 19 THR CA C 19 61.009 61.009 61.522 -0.513 19548 881 1 4 . 1 1 19 19 THR CB C 19 71.661 71.661 72.108 -0.447 19548 882 1 4 . 1 1 19 19 THR H H 19 8.970 8.970 8.800 0.170 19548 883 1 4 . 1 1 20 20 ILE N N 20 123.857 123.857 122.686 1.171 19548 884 1 4 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.995 -0.103 19548 885 1 4 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.164 -0.213 19548 886 1 4 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.830 -1.492 19548 887 1 4 . 1 1 20 20 ILE H H 20 8.954 8.954 9.065 -0.111 19548 888 1 4 . 1 1 21 21 THR N N 21 123.681 123.681 120.774 2.907 19548 889 1 4 . 1 1 21 21 THR HA H 21 4.840 4.840 4.870 -0.030 19548 890 1 4 . 1 1 21 21 THR CA C 21 61.503 61.503 61.905 -0.402 19548 891 1 4 . 1 1 21 21 THR CB C 21 71.965 71.965 71.439 0.526 19548 892 1 4 . 1 1 21 21 THR H H 21 9.428 9.428 8.743 0.685 19548 893 1 4 . 1 1 22 22 ILE N N 22 125.758 125.758 128.444 -2.686 19548 894 1 4 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.239 -0.115 19548 895 1 4 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.274 -0.016 19548 896 1 4 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.746 -3.822 19548 897 1 4 . 1 1 22 22 ILE H H 22 8.131 8.131 8.302 -0.171 19548 898 1 4 . 1 1 23 23 LEU N N 23 129.382 129.382 129.545 -0.163 19548 899 1 4 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.174 0.345 19548 900 1 4 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.764 -0.190 19548 901 1 4 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.856 0.530 19548 902 1 4 . 1 1 23 23 LEU H H 23 8.893 8.893 8.206 0.687 19548 903 1 4 . 1 1 24 24 GLY N N 24 104.715 104.715 104.576 0.139 19548 904 1 4 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.924 1.060 19548 905 1 4 . 1 1 24 24 GLY H H 24 7.559 7.559 7.527 0.032 19548 906 1 4 . 1 1 25 25 VAL N N 25 120.337 120.337 118.687 1.650 19548 907 1 4 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.750 -0.103 19548 908 1 4 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.580 1.897 19548 909 1 4 . 1 1 25 25 VAL CB C 25 35.733 35.733 34.741 0.992 19548 910 1 4 . 1 1 25 25 VAL H H 25 8.431 8.431 8.323 0.108 19548 911 1 4 . 1 1 26 26 SER N N 26 121.660 121.660 122.028 -0.368 19548 912 1 4 . 1 1 26 26 SER HA H 26 4.658 4.658 4.632 0.026 19548 913 1 4 . 1 1 26 26 SER CA C 26 56.395 56.395 58.057 -1.662 19548 914 1 4 . 1 1 26 26 SER CB C 26 63.731 63.731 64.121 -0.390 19548 915 1 4 . 1 1 26 26 SER H H 26 8.614 8.614 8.991 -0.377 19548 916 1 4 . 1 1 27 27 GLY N N 27 118.321 118.321 112.834 5.487 19548 917 1 4 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.747 1.715 19548 918 1 4 . 1 1 27 27 GLY H H 27 8.916 8.916 8.255 0.661 19548 919 1 4 . 1 1 28 28 GLN N N 28 124.491 124.491 123.565 0.926 19548 920 1 4 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.223 0.095 19548 921 1 4 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.736 -1.631 19548 922 1 4 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.875 0.864 19548 923 1 4 . 1 1 28 28 GLN H H 28 8.814 8.814 8.550 0.264 19548 924 1 4 . 1 1 29 29 GLN N N 29 117.410 117.410 119.797 -2.387 19548 925 1 4 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.357 0.306 19548 926 1 4 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.961 -0.577 19548 927 1 4 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.014 1.357 19548 928 1 4 . 1 1 29 29 GLN H H 29 8.310 8.310 7.594 0.716 19548 929 1 4 . 1 1 30 30 VAL N N 30 123.844 123.844 122.364 1.480 19548 930 1 4 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.420 0.130 19548 931 1 4 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.615 -0.985 19548 932 1 4 . 1 1 30 30 VAL CB C 30 34.546 34.546 33.697 0.849 19548 933 1 4 . 1 1 30 30 VAL H H 30 9.146 9.146 8.337 0.809 19548 934 1 4 . 1 1 31 31 ARG N N 31 128.326 128.326 128.544 -0.218 19548 935 1 4 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.618 0.033 19548 936 1 4 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.529 0.226 19548 937 1 4 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.628 0.219 19548 938 1 4 . 1 1 31 31 ARG H H 31 8.742 8.742 8.100 0.642 19548 939 1 4 . 1 1 32 32 ILE N N 32 127.673 127.673 122.281 5.392 19548 940 1 4 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.919 -0.286 19548 941 1 4 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.428 0.358 19548 942 1 4 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.226 -1.522 19548 943 1 4 . 1 1 32 32 ILE H H 32 9.018 9.018 8.375 0.643 19548 944 1 4 . 1 1 33 33 GLY N N 33 112.593 112.593 111.077 1.516 19548 945 1 4 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.784 0.928 19548 946 1 4 . 1 1 33 33 GLY H H 33 9.193 9.193 8.843 0.350 19548 947 1 4 . 1 1 34 34 ILE N N 34 125.160 125.160 119.948 5.212 19548 948 1 4 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.825 -0.022 19548 949 1 4 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.193 0.705 19548 950 1 4 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.449 -1.344 19548 951 1 4 . 1 1 34 34 ILE H H 34 9.635 9.635 8.180 1.455 19548 952 1 4 . 1 1 35 35 ASN N N 35 129.265 129.265 123.860 5.405 19548 953 1 4 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.978 0.112 19548 954 1 4 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.636 -0.525 19548 955 1 4 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.849 -0.673 19548 956 1 4 . 1 1 35 35 ASN H H 35 9.012 9.012 8.880 0.132 19548 957 1 4 . 1 1 36 36 ALA N N 36 125.567 125.567 127.861 -2.294 19548 958 1 4 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.200 -0.140 19548 959 1 4 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.547 -0.218 19548 960 1 4 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.249 -1.266 19548 961 1 4 . 1 1 36 36 ALA H H 36 8.239 8.239 8.246 -0.007 19548 962 1 4 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.614 -0.205 19548 963 1 4 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.211 0.691 19548 964 1 4 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.663 -0.264 19548 965 1 4 . 1 1 38 38 LYS N N 38 121.055 121.055 120.907 0.148 19548 966 1 4 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.148 -0.377 19548 967 1 4 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.670 1.167 19548 968 1 4 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.735 0.117 19548 969 1 4 . 1 1 38 38 LYS H H 38 8.559 8.559 8.588 -0.029 19548 970 1 4 . 1 1 39 39 ASP N N 39 113.847 113.847 118.984 -5.137 19548 971 1 4 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.479 -0.138 19548 972 1 4 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.213 -1.182 19548 973 1 4 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.891 -1.087 19548 974 1 4 . 1 1 39 39 ASP H H 39 8.139 8.139 8.416 -0.277 19548 975 1 4 . 1 1 40 40 VAL N N 40 122.630 122.630 114.687 7.943 19548 976 1 4 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.446 -0.495 19548 977 1 4 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.715 2.203 19548 978 1 4 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.137 -3.256 19548 979 1 4 . 1 1 40 40 VAL H H 40 8.009 8.009 7.502 0.507 19548 980 1 4 . 1 1 41 41 ALA N N 41 133.597 133.597 125.173 8.424 19548 981 1 4 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.913 -0.466 19548 982 1 4 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.195 1.054 19548 983 1 4 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.075 -0.988 19548 984 1 4 . 1 1 41 41 ALA H H 41 8.876 8.876 8.252 0.624 19548 985 1 4 . 1 1 42 42 VAL N N 42 125.047 125.047 118.792 6.255 19548 986 1 4 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.304 0.100 19548 987 1 4 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.164 -0.577 19548 988 1 4 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.555 0.089 19548 989 1 4 . 1 1 42 42 VAL H H 42 7.805 7.805 7.837 -0.032 19548 990 1 4 . 1 1 43 43 HIS N N 43 118.998 118.998 122.593 -3.595 19548 991 1 4 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.856 0.625 19548 992 1 4 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.332 -1.362 19548 993 1 4 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.109 5.348 19548 994 1 4 . 1 1 43 43 HIS H H 43 8.657 8.657 8.267 0.390 19548 995 1 4 . 1 1 44 44 ARG N N 44 122.532 122.532 122.341 0.191 19548 996 1 4 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.242 -0.313 19548 997 1 4 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.452 1.949 19548 998 1 4 . 1 1 44 44 ARG H H 44 8.949 8.949 8.646 0.303 19548 999 1 4 . 1 1 45 45 GLU N N 45 126.110 126.110 124.960 1.150 19548 1000 1 4 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.069 0.282 19548 1001 1 4 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.613 0.079 19548 1002 1 4 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.626 0.426 19548 1003 1 4 . 1 1 45 45 GLU H H 45 7.878 7.878 9.073 -1.196 19548 1004 1 4 . 1 1 46 46 GLU N N 46 118.207 118.207 118.862 -0.655 19548 1005 1 4 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.136 0.115 19548 1006 1 4 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.272 -0.567 19548 1007 1 4 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.030 -1.968 19548 1008 1 4 . 1 1 46 46 GLU H H 46 10.784 10.784 8.808 1.976 19548 1009 1 4 . 1 1 47 47 ILE N N 47 122.316 122.316 119.798 2.518 19548 1010 1 4 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.897 -0.070 19548 1011 1 4 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.992 -0.812 19548 1012 1 4 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.846 -2.128 19548 1013 1 4 . 1 1 47 47 ILE H H 47 7.229 7.229 7.601 -0.372 19548 1014 1 4 . 1 1 48 48 TYR N N 48 122.269 122.269 121.962 0.307 19548 1015 1 4 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.065 -0.420 19548 1016 1 4 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.769 0.303 19548 1017 1 4 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.190 0.859 19548 1018 1 4 . 1 1 48 48 TYR H H 48 8.124 8.124 8.424 -0.300 19548 1019 1 4 . 1 1 49 49 GLN N N 49 115.409 115.409 115.953 -0.544 19548 1020 1 4 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.966 -0.130 19548 1021 1 4 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.177 0.294 19548 1022 1 4 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.470 -0.287 19548 1023 1 4 . 1 1 49 49 GLN H H 49 8.604 8.604 7.819 0.785 19548 1024 1 4 . 1 1 50 50 ARG N N 50 120.065 120.065 116.758 3.307 19548 1025 1 4 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.173 -0.184 19548 1026 1 4 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.315 1.687 19548 1027 1 4 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.094 0.317 19548 1028 1 4 . 1 1 50 50 ARG H H 50 7.165 7.165 7.460 -0.295 19548 1029 1 4 . 1 1 51 51 ILE N N 51 120.716 120.716 117.863 2.853 19548 1030 1 4 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.067 -0.450 19548 1031 1 4 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.439 1.804 19548 1032 1 4 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.027 -1.026 19548 1033 1 4 . 1 1 51 51 ILE H H 51 7.884 7.884 7.538 0.346 19548 1034 1 4 . 1 1 52 52 GLN N N 52 118.921 118.921 118.624 0.297 19548 1035 1 4 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.959 -0.152 19548 1036 1 4 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.269 1.103 19548 1037 1 4 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.107 1.078 19548 1038 1 4 . 1 1 52 52 GLN H H 52 7.905 7.905 7.956 -0.051 19548 1039 1 4 . 1 1 53 53 ALA N N 53 120.638 120.638 120.342 0.296 19548 1040 1 4 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.172 -0.003 19548 1041 1 4 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.840 0.253 19548 1042 1 4 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.836 -0.262 19548 1043 1 4 . 1 1 53 53 ALA H H 53 7.601 7.601 7.728 -0.127 19548 1044 1 4 . 1 1 54 54 GLY N N 54 105.799 105.799 104.379 1.420 19548 1045 1 4 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.928 0.589 19548 1046 1 4 . 1 1 54 54 GLY H H 54 7.720 7.720 7.800 -0.080 19548 1047 1 4 . 1 1 55 55 LEU N N 55 120.711 120.711 117.748 2.963 19548 1048 1 4 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.051 -0.729 19548 1049 1 4 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.616 1.640 19548 1050 1 4 . 1 1 55 55 LEU CB C 55 42.263 42.263 43.019 -0.756 19548 1051 1 4 . 1 1 55 55 LEU H H 55 7.687 7.687 7.983 -0.296 19548 1052 1 4 . 1 1 56 56 THR N N 56 113.068 113.068 108.350 4.718 19548 1053 1 4 . 1 1 56 56 THR HA H 56 4.245 4.245 4.464 -0.219 19548 1054 1 4 . 1 1 56 56 THR CA C 56 61.383 61.383 62.281 -0.898 19548 1055 1 4 . 1 1 56 56 THR CB C 56 69.836 69.836 69.262 0.574 19548 1056 1 4 . 1 1 56 56 THR H H 56 7.746 7.746 8.130 -0.384 19548 1057 1 4 . 1 1 57 57 ALA N N 57 127.221 127.221 123.601 3.620 19548 1058 1 4 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.631 -0.140 19548 1059 1 4 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.489 0.051 19548 1060 1 4 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.041 -1.703 19548 1061 1 4 . 1 1 57 57 ALA H H 57 8.065 8.065 7.544 0.521 19548 1062 1 4 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.392 -0.077 19548 1063 1 4 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.283 1.066 19548 1064 1 4 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.455 -0.525 19548 1065 1 5 . 1 1 2 2 LEU N N 2 124.817 124.817 124.817 0.000 19548 1066 1 5 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.854 -0.373 19548 1067 1 5 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.493 0.009 19548 1068 1 5 . 1 1 2 2 LEU CB C 2 42.410 42.410 43.224 -0.814 19548 1069 1 5 . 1 1 2 2 LEU H H 2 8.411 8.411 8.544 -0.133 19548 1070 1 5 . 1 1 3 3 ILE N N 3 130.687 130.687 124.701 5.986 19548 1071 1 5 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.323 0.656 19548 1072 1 5 . 1 1 3 3 ILE CA C 3 60.021 60.021 60.958 -0.937 19548 1073 1 5 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.786 -0.802 19548 1074 1 5 . 1 1 3 3 ILE H H 3 10.326 10.326 8.275 2.051 19548 1075 1 5 . 1 1 4 4 LEU N N 4 123.391 123.391 123.984 -0.593 19548 1076 1 5 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.761 0.022 19548 1077 1 5 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.850 -1.259 19548 1078 1 5 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.454 3.037 19548 1079 1 5 . 1 1 4 4 LEU H H 4 8.793 8.793 8.057 0.736 19548 1080 1 5 . 1 1 5 5 THR HA H 5 5.491 5.491 4.657 0.834 19548 1081 1 5 . 1 1 5 5 THR CA C 5 61.148 61.148 61.723 -0.575 19548 1082 1 5 . 1 1 5 5 THR CB C 5 69.731 69.731 70.109 -0.378 19548 1083 1 5 . 1 1 6 6 ARG N N 6 125.087 125.087 120.914 4.173 19548 1084 1 5 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.653 0.312 19548 1085 1 5 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.038 0.083 19548 1086 1 5 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.322 5.085 19548 1087 1 5 . 1 1 6 6 ARG H H 6 9.367 9.367 8.366 1.001 19548 1088 1 5 . 1 1 7 7 LYS N N 7 123.260 123.260 121.510 1.750 19548 1089 1 5 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.614 0.484 19548 1090 1 5 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.088 -0.839 19548 1091 1 5 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.108 -0.852 19548 1092 1 5 . 1 1 7 7 LYS H H 7 9.406 9.406 9.012 0.394 19548 1093 1 5 . 1 1 8 8 VAL N N 8 118.507 118.507 118.894 -0.387 19548 1094 1 5 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.903 -0.596 19548 1095 1 5 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.257 2.720 19548 1096 1 5 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.138 1.434 19548 1097 1 5 . 1 1 8 8 VAL H H 8 7.764 7.764 8.339 -0.575 19548 1098 1 5 . 1 1 9 9 GLY N N 9 116.023 116.023 116.278 -0.255 19548 1099 1 5 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.841 -0.266 19548 1100 1 5 . 1 1 9 9 GLY H H 9 9.238 9.238 9.181 0.057 19548 1101 1 5 . 1 1 10 10 GLU N N 10 119.392 119.392 119.632 -0.240 19548 1102 1 5 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.789 0.103 19548 1103 1 5 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.299 1.459 19548 1104 1 5 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.926 -0.085 19548 1105 1 5 . 1 1 10 10 GLU H H 10 8.401 8.401 7.955 0.446 19548 1106 1 5 . 1 1 11 11 SER N N 11 112.280 112.280 113.390 -1.110 19548 1107 1 5 . 1 1 11 11 SER HA H 11 5.870 5.870 5.335 0.535 19548 1108 1 5 . 1 1 11 11 SER CA C 11 57.964 57.964 57.004 0.960 19548 1109 1 5 . 1 1 11 11 SER CB C 11 66.971 66.971 66.084 0.887 19548 1110 1 5 . 1 1 11 11 SER H H 11 8.618 8.618 8.358 0.260 19548 1111 1 5 . 1 1 12 12 ILE N N 12 124.303 124.303 119.796 4.507 19548 1112 1 5 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.500 -0.146 19548 1113 1 5 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.327 0.654 19548 1114 1 5 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.721 0.034 19548 1115 1 5 . 1 1 12 12 ILE H H 12 9.328 9.328 8.897 0.431 19548 1116 1 5 . 1 1 13 13 ASN N N 13 126.189 126.189 120.443 5.746 19548 1117 1 5 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.046 -0.029 19548 1118 1 5 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.560 0.838 19548 1119 1 5 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.970 -0.528 19548 1120 1 5 . 1 1 13 13 ASN H H 13 9.395 9.395 8.479 0.916 19548 1121 1 5 . 1 1 14 14 ILE N N 14 123.998 123.998 120.832 3.166 19548 1122 1 5 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.473 -0.028 19548 1123 1 5 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.622 -0.083 19548 1124 1 5 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.553 -3.045 19548 1125 1 5 . 1 1 14 14 ILE H H 14 8.455 8.455 8.486 -0.031 19548 1126 1 5 . 1 1 15 15 GLY N N 15 115.223 115.223 113.189 2.034 19548 1127 1 5 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.255 -0.307 19548 1128 1 5 . 1 1 15 15 GLY H H 15 9.039 9.039 8.602 0.437 19548 1129 1 5 . 1 1 16 16 ASP N N 16 120.438 120.438 121.035 -0.597 19548 1130 1 5 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.694 0.218 19548 1131 1 5 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.080 1.226 19548 1132 1 5 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.422 0.944 19548 1133 1 5 . 1 1 16 16 ASP H H 16 8.714 8.714 8.333 0.381 19548 1134 1 5 . 1 1 17 17 ASP N N 17 115.581 115.581 119.870 -4.289 19548 1135 1 5 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.859 -0.131 19548 1136 1 5 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.013 0.166 19548 1137 1 5 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.987 -1.454 19548 1138 1 5 . 1 1 17 17 ASP H H 17 8.158 8.158 7.867 0.291 19548 1139 1 5 . 1 1 18 18 ILE N N 18 118.645 118.645 120.013 -1.368 19548 1140 1 5 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.064 0.124 19548 1141 1 5 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.369 -0.284 19548 1142 1 5 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.176 -2.480 19548 1143 1 5 . 1 1 18 18 ILE H H 18 7.180 7.180 7.666 -0.486 19548 1144 1 5 . 1 1 19 19 THR N N 19 122.845 122.845 120.987 1.858 19548 1145 1 5 . 1 1 19 19 THR HA H 19 5.117 5.117 4.999 0.118 19548 1146 1 5 . 1 1 19 19 THR CA C 19 61.009 61.009 61.667 -0.658 19548 1147 1 5 . 1 1 19 19 THR CB C 19 71.661 71.661 72.424 -0.763 19548 1148 1 5 . 1 1 19 19 THR H H 19 8.970 8.970 8.805 0.165 19548 1149 1 5 . 1 1 20 20 ILE N N 20 123.857 123.857 122.109 1.748 19548 1150 1 5 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.875 0.017 19548 1151 1 5 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.275 -0.324 19548 1152 1 5 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.968 -1.629 19548 1153 1 5 . 1 1 20 20 ILE H H 20 8.954 8.954 9.124 -0.170 19548 1154 1 5 . 1 1 21 21 THR N N 21 123.681 123.681 119.551 4.130 19548 1155 1 5 . 1 1 21 21 THR HA H 21 4.840 4.840 4.934 -0.094 19548 1156 1 5 . 1 1 21 21 THR CA C 21 61.503 61.503 61.813 -0.310 19548 1157 1 5 . 1 1 21 21 THR CB C 21 71.965 71.965 72.319 -0.353 19548 1158 1 5 . 1 1 21 21 THR H H 21 9.428 9.428 8.818 0.610 19548 1159 1 5 . 1 1 22 22 ILE N N 22 125.758 125.758 125.957 -0.199 19548 1160 1 5 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.582 -0.458 19548 1161 1 5 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.347 0.910 19548 1162 1 5 . 1 1 22 22 ILE CB C 22 33.924 33.924 38.220 -4.296 19548 1163 1 5 . 1 1 22 22 ILE H H 22 8.131 8.131 8.467 -0.336 19548 1164 1 5 . 1 1 23 23 LEU N N 23 129.382 129.382 129.382 0.000 19548 1165 1 5 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.212 0.307 19548 1166 1 5 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.862 -0.288 19548 1167 1 5 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.897 0.489 19548 1168 1 5 . 1 1 23 23 LEU H H 23 8.893 8.893 8.209 0.684 19548 1169 1 5 . 1 1 24 24 GLY N N 24 104.715 104.715 104.840 -0.125 19548 1170 1 5 . 1 1 24 24 GLY CA C 24 45.984 45.984 45.116 0.868 19548 1171 1 5 . 1 1 24 24 GLY H H 24 7.559 7.559 7.483 0.076 19548 1172 1 5 . 1 1 25 25 VAL N N 25 120.337 120.337 118.751 1.586 19548 1173 1 5 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.537 0.110 19548 1174 1 5 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.912 0.565 19548 1175 1 5 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.309 0.424 19548 1176 1 5 . 1 1 25 25 VAL H H 25 8.431 8.431 8.276 0.155 19548 1177 1 5 . 1 1 26 26 SER N N 26 121.660 121.660 124.338 -2.678 19548 1178 1 5 . 1 1 26 26 SER HA H 26 4.658 4.658 4.747 -0.089 19548 1179 1 5 . 1 1 26 26 SER CA C 26 56.395 56.395 58.126 -1.731 19548 1180 1 5 . 1 1 26 26 SER CB C 26 63.731 63.731 63.702 0.029 19548 1181 1 5 . 1 1 26 26 SER H H 26 8.614 8.614 9.068 -0.454 19548 1182 1 5 . 1 1 27 27 GLY N N 27 118.321 118.321 112.456 5.865 19548 1183 1 5 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.967 1.495 19548 1184 1 5 . 1 1 27 27 GLY H H 27 8.916 8.916 8.394 0.522 19548 1185 1 5 . 1 1 28 28 GLN N N 28 124.491 124.491 122.898 1.593 19548 1186 1 5 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.239 0.079 19548 1187 1 5 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.599 -1.494 19548 1188 1 5 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.765 0.973 19548 1189 1 5 . 1 1 28 28 GLN H H 28 8.814 8.814 8.586 0.228 19548 1190 1 5 . 1 1 29 29 GLN N N 29 117.410 117.410 119.224 -1.814 19548 1191 1 5 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.404 0.259 19548 1192 1 5 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.694 -0.310 19548 1193 1 5 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.397 0.973 19548 1194 1 5 . 1 1 29 29 GLN H H 29 8.310 8.310 7.577 0.733 19548 1195 1 5 . 1 1 30 30 VAL N N 30 123.844 123.844 122.122 1.722 19548 1196 1 5 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.378 0.172 19548 1197 1 5 . 1 1 30 30 VAL CA C 30 60.630 60.630 60.935 -0.305 19548 1198 1 5 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.866 -0.320 19548 1199 1 5 . 1 1 30 30 VAL H H 30 9.146 9.146 8.326 0.820 19548 1200 1 5 . 1 1 31 31 ARG N N 31 128.326 128.326 127.561 0.765 19548 1201 1 5 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.675 -0.024 19548 1202 1 5 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.087 0.669 19548 1203 1 5 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.967 -0.120 19548 1204 1 5 . 1 1 31 31 ARG H H 31 8.742 8.742 8.180 0.562 19548 1205 1 5 . 1 1 32 32 ILE N N 32 127.673 127.673 122.899 4.774 19548 1206 1 5 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.780 -0.147 19548 1207 1 5 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.464 0.322 19548 1208 1 5 . 1 1 32 32 ILE CB C 32 40.704 40.704 41.945 -1.241 19548 1209 1 5 . 1 1 32 32 ILE H H 32 9.018 9.018 8.480 0.538 19548 1210 1 5 . 1 1 33 33 GLY N N 33 112.593 112.593 111.524 1.069 19548 1211 1 5 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.745 0.967 19548 1212 1 5 . 1 1 33 33 GLY H H 33 9.193 9.193 8.888 0.305 19548 1213 1 5 . 1 1 34 34 ILE N N 34 125.160 125.160 120.422 4.738 19548 1214 1 5 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.661 0.142 19548 1215 1 5 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.434 0.464 19548 1216 1 5 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.474 -1.369 19548 1217 1 5 . 1 1 34 34 ILE H H 34 9.635 9.635 8.186 1.449 19548 1218 1 5 . 1 1 35 35 ASN N N 35 129.265 129.265 124.153 5.112 19548 1219 1 5 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.973 0.117 19548 1220 1 5 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.895 -0.784 19548 1221 1 5 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.845 -0.669 19548 1222 1 5 . 1 1 35 35 ASN H H 35 9.012 9.012 8.805 0.207 19548 1223 1 5 . 1 1 36 36 ALA N N 36 125.567 125.567 127.657 -2.090 19548 1224 1 5 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.175 -0.115 19548 1225 1 5 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.631 -0.302 19548 1226 1 5 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.983 -1.000 19548 1227 1 5 . 1 1 36 36 ALA H H 36 8.239 8.239 8.131 0.108 19548 1228 1 5 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.595 -0.186 19548 1229 1 5 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.288 0.613 19548 1230 1 5 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.270 0.129 19548 1231 1 5 . 1 1 38 38 LYS N N 38 121.055 121.055 121.348 -0.293 19548 1232 1 5 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.140 -0.369 19548 1233 1 5 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.762 1.075 19548 1234 1 5 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.893 -0.041 19548 1235 1 5 . 1 1 38 38 LYS H H 38 8.559 8.559 8.567 -0.008 19548 1236 1 5 . 1 1 39 39 ASP N N 39 113.847 113.847 119.063 -5.216 19548 1237 1 5 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.488 -0.147 19548 1238 1 5 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.176 -1.145 19548 1239 1 5 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.959 -1.155 19548 1240 1 5 . 1 1 39 39 ASP H H 39 8.139 8.139 8.396 -0.257 19548 1241 1 5 . 1 1 40 40 VAL N N 40 122.630 122.630 114.695 7.935 19548 1242 1 5 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.478 -0.527 19548 1243 1 5 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.730 2.188 19548 1244 1 5 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.145 -3.264 19548 1245 1 5 . 1 1 40 40 VAL H H 40 8.009 8.009 7.469 0.540 19548 1246 1 5 . 1 1 41 41 ALA N N 41 133.597 133.597 124.017 9.580 19548 1247 1 5 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.974 -0.527 19548 1248 1 5 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.064 1.185 19548 1249 1 5 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.348 -1.261 19548 1250 1 5 . 1 1 41 41 ALA H H 41 8.876 8.876 8.290 0.586 19548 1251 1 5 . 1 1 42 42 VAL N N 42 125.047 125.047 118.077 6.970 19548 1252 1 5 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.430 -0.026 19548 1253 1 5 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.050 -0.463 19548 1254 1 5 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.562 0.082 19548 1255 1 5 . 1 1 42 42 VAL H H 42 7.805 7.805 7.864 -0.059 19548 1256 1 5 . 1 1 43 43 HIS N N 43 118.998 118.998 122.469 -3.471 19548 1257 1 5 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.797 0.684 19548 1258 1 5 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.292 -1.322 19548 1259 1 5 . 1 1 43 43 HIS CB C 43 37.457 37.457 31.948 5.509 19548 1260 1 5 . 1 1 43 43 HIS H H 43 8.657 8.657 8.323 0.334 19548 1261 1 5 . 1 1 44 44 ARG N N 44 122.532 122.532 121.607 0.925 19548 1262 1 5 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.278 -0.349 19548 1263 1 5 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.168 2.233 19548 1264 1 5 . 1 1 44 44 ARG H H 44 8.949 8.949 8.710 0.239 19548 1265 1 5 . 1 1 45 45 GLU N N 45 126.110 126.110 122.730 3.380 19548 1266 1 5 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.026 0.325 19548 1267 1 5 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.674 0.018 19548 1268 1 5 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.843 0.209 19548 1269 1 5 . 1 1 45 45 GLU H H 45 7.878 7.878 8.907 -1.029 19548 1270 1 5 . 1 1 46 46 GLU N N 46 118.207 118.207 119.320 -1.113 19548 1271 1 5 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.249 0.002 19548 1272 1 5 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.753 -0.048 19548 1273 1 5 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.077 -2.015 19548 1274 1 5 . 1 1 46 46 GLU H H 46 10.784 10.784 8.444 2.340 19548 1275 1 5 . 1 1 47 47 ILE N N 47 122.316 122.316 119.772 2.544 19548 1276 1 5 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.861 -0.034 19548 1277 1 5 . 1 1 47 47 ILE CA C 47 61.180 61.180 63.032 -1.852 19548 1278 1 5 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.545 -2.828 19548 1279 1 5 . 1 1 47 47 ILE H H 47 7.229 7.229 7.842 -0.613 19548 1280 1 5 . 1 1 48 48 TYR N N 48 122.269 122.269 121.458 0.811 19548 1281 1 5 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.962 -0.317 19548 1282 1 5 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.764 0.308 19548 1283 1 5 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.097 0.952 19548 1284 1 5 . 1 1 48 48 TYR H H 48 8.124 8.124 8.697 -0.573 19548 1285 1 5 . 1 1 49 49 GLN N N 49 115.409 115.409 116.318 -0.909 19548 1286 1 5 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.894 -0.058 19548 1287 1 5 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.837 0.634 19548 1288 1 5 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.494 -0.311 19548 1289 1 5 . 1 1 49 49 GLN H H 49 8.604 8.604 7.827 0.777 19548 1290 1 5 . 1 1 50 50 ARG N N 50 120.065 120.065 116.160 3.905 19548 1291 1 5 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.249 -0.260 19548 1292 1 5 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.667 2.335 19548 1293 1 5 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.349 0.062 19548 1294 1 5 . 1 1 50 50 ARG H H 50 7.165 7.165 7.612 -0.447 19548 1295 1 5 . 1 1 51 51 ILE N N 51 120.716 120.716 118.230 2.486 19548 1296 1 5 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.071 -0.454 19548 1297 1 5 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.310 1.933 19548 1298 1 5 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.076 -1.075 19548 1299 1 5 . 1 1 51 51 ILE H H 51 7.884 7.884 7.451 0.433 19548 1300 1 5 . 1 1 52 52 GLN N N 52 118.921 118.921 118.813 0.108 19548 1301 1 5 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.097 -0.290 19548 1302 1 5 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.594 1.778 19548 1303 1 5 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.239 0.946 19548 1304 1 5 . 1 1 52 52 GLN H H 52 7.905 7.905 7.751 0.154 19548 1305 1 5 . 1 1 53 53 ALA N N 53 120.638 120.638 121.251 -0.613 19548 1306 1 5 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.135 0.034 19548 1307 1 5 . 1 1 53 53 ALA CA C 53 53.093 53.093 53.169 -0.076 19548 1308 1 5 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.936 -0.362 19548 1309 1 5 . 1 1 53 53 ALA H H 53 7.601 7.601 8.012 -0.411 19548 1310 1 5 . 1 1 54 54 GLY N N 54 105.799 105.799 104.139 1.660 19548 1311 1 5 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.004 0.513 19548 1312 1 5 . 1 1 54 54 GLY H H 54 7.720 7.720 7.858 -0.138 19548 1313 1 5 . 1 1 55 55 LEU N N 55 120.711 120.711 115.836 4.875 19548 1314 1 5 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.839 -0.517 19548 1315 1 5 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.307 -0.051 19548 1316 1 5 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.847 -0.584 19548 1317 1 5 . 1 1 55 55 LEU H H 55 7.687 7.687 7.523 0.164 19548 1318 1 5 . 1 1 56 56 THR N N 56 113.068 113.068 115.665 -2.597 19548 1319 1 5 . 1 1 56 56 THR HA H 56 4.245 4.245 3.870 0.375 19548 1320 1 5 . 1 1 56 56 THR CA C 56 61.383 61.383 63.794 -2.411 19548 1321 1 5 . 1 1 56 56 THR CB C 56 69.836 69.836 66.992 2.844 19548 1322 1 5 . 1 1 56 56 THR H H 56 7.746 7.746 8.056 -0.310 19548 1323 1 5 . 1 1 57 57 ALA N N 57 127.221 127.221 121.909 5.312 19548 1324 1 5 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.590 -0.099 19548 1325 1 5 . 1 1 57 57 ALA CA C 57 50.540 50.540 49.779 0.761 19548 1326 1 5 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.221 -1.883 19548 1327 1 5 . 1 1 57 57 ALA H H 57 8.065 8.065 7.533 0.532 19548 1328 1 5 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.197 0.118 19548 1329 1 5 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.075 -0.726 19548 1330 1 5 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.169 -0.239 19548 1331 1 6 . 1 1 2 2 LEU N N 2 124.817 124.817 124.807 0.010 19548 1332 1 6 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.837 -0.356 19548 1333 1 6 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.492 0.010 19548 1334 1 6 . 1 1 2 2 LEU CB C 2 42.410 42.410 43.104 -0.694 19548 1335 1 6 . 1 1 2 2 LEU H H 2 8.411 8.411 8.497 -0.086 19548 1336 1 6 . 1 1 3 3 ILE N N 3 130.687 130.687 124.173 6.514 19548 1337 1 6 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.355 0.624 19548 1338 1 6 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.077 -1.056 19548 1339 1 6 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.857 -0.873 19548 1340 1 6 . 1 1 3 3 ILE H H 3 10.326 10.326 8.265 2.061 19548 1341 1 6 . 1 1 4 4 LEU N N 4 123.391 123.391 124.087 -0.696 19548 1342 1 6 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.704 0.079 19548 1343 1 6 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.861 -1.270 19548 1344 1 6 . 1 1 4 4 LEU CB C 4 46.491 46.491 44.555 1.936 19548 1345 1 6 . 1 1 4 4 LEU H H 4 8.793 8.793 8.261 0.532 19548 1346 1 6 . 1 1 5 5 THR HA H 5 5.491 5.491 4.664 0.827 19548 1347 1 6 . 1 1 5 5 THR CA C 5 61.148 61.148 61.814 -0.666 19548 1348 1 6 . 1 1 5 5 THR CB C 5 69.731 69.731 69.506 0.225 19548 1349 1 6 . 1 1 6 6 ARG N N 6 125.087 125.087 125.498 -0.411 19548 1350 1 6 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.476 0.489 19548 1351 1 6 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.506 -0.385 19548 1352 1 6 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.873 5.534 19548 1353 1 6 . 1 1 6 6 ARG H H 6 9.367 9.367 8.395 0.972 19548 1354 1 6 . 1 1 7 7 LYS N N 7 123.260 123.260 121.940 1.320 19548 1355 1 6 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.665 0.433 19548 1356 1 6 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.034 -0.785 19548 1357 1 6 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.301 -1.046 19548 1358 1 6 . 1 1 7 7 LYS H H 7 9.406 9.406 8.755 0.651 19548 1359 1 6 . 1 1 8 8 VAL N N 8 118.507 118.507 118.292 0.215 19548 1360 1 6 . 1 1 8 8 VAL HA H 8 3.307 3.307 4.023 -0.716 19548 1361 1 6 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.140 2.837 19548 1362 1 6 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.093 0.479 19548 1363 1 6 . 1 1 8 8 VAL H H 8 7.764 7.764 8.286 -0.522 19548 1364 1 6 . 1 1 9 9 GLY N N 9 116.023 116.023 114.524 1.499 19548 1365 1 6 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.917 -0.342 19548 1366 1 6 . 1 1 9 9 GLY H H 9 9.238 9.238 9.132 0.106 19548 1367 1 6 . 1 1 10 10 GLU N N 10 119.392 119.392 119.454 -0.062 19548 1368 1 6 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.781 0.111 19548 1369 1 6 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.248 1.510 19548 1370 1 6 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.889 -0.048 19548 1371 1 6 . 1 1 10 10 GLU H H 10 8.401 8.401 7.867 0.534 19548 1372 1 6 . 1 1 11 11 SER N N 11 112.280 112.280 113.266 -0.986 19548 1373 1 6 . 1 1 11 11 SER HA H 11 5.870 5.870 5.407 0.463 19548 1374 1 6 . 1 1 11 11 SER CA C 11 57.964 57.964 57.085 0.879 19548 1375 1 6 . 1 1 11 11 SER CB C 11 66.971 66.971 66.121 0.850 19548 1376 1 6 . 1 1 11 11 SER H H 11 8.618 8.618 8.362 0.256 19548 1377 1 6 . 1 1 12 12 ILE N N 12 124.303 124.303 119.811 4.492 19548 1378 1 6 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.474 -0.120 19548 1379 1 6 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.093 -0.112 19548 1380 1 6 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.970 -0.215 19548 1381 1 6 . 1 1 12 12 ILE H H 12 9.328 9.328 8.847 0.481 19548 1382 1 6 . 1 1 13 13 ASN N N 13 126.189 126.189 120.375 5.814 19548 1383 1 6 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.099 -0.082 19548 1384 1 6 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.545 0.854 19548 1385 1 6 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.715 -0.273 19548 1386 1 6 . 1 1 13 13 ASN H H 13 9.395 9.395 8.478 0.917 19548 1387 1 6 . 1 1 14 14 ILE N N 14 123.998 123.998 121.147 2.851 19548 1388 1 6 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.457 -0.012 19548 1389 1 6 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.681 -0.142 19548 1390 1 6 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.407 -2.898 19548 1391 1 6 . 1 1 14 14 ILE H H 14 8.455 8.455 8.465 -0.010 19548 1392 1 6 . 1 1 15 15 GLY N N 15 115.223 115.223 113.342 1.881 19548 1393 1 6 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.561 -0.613 19548 1394 1 6 . 1 1 15 15 GLY H H 15 9.039 9.039 8.602 0.437 19548 1395 1 6 . 1 1 16 16 ASP N N 16 120.438 120.438 121.923 -1.485 19548 1396 1 6 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.734 0.178 19548 1397 1 6 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.426 0.880 19548 1398 1 6 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.390 0.976 19548 1399 1 6 . 1 1 16 16 ASP H H 16 8.714 8.714 8.255 0.459 19548 1400 1 6 . 1 1 17 17 ASP N N 17 115.581 115.581 119.105 -3.524 19548 1401 1 6 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.832 -0.104 19548 1402 1 6 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.448 -0.269 19548 1403 1 6 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.465 -0.932 19548 1404 1 6 . 1 1 17 17 ASP H H 17 8.158 8.158 7.880 0.278 19548 1405 1 6 . 1 1 18 18 ILE N N 18 118.645 118.645 119.997 -1.352 19548 1406 1 6 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.026 0.163 19548 1407 1 6 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.197 -0.112 19548 1408 1 6 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.292 -2.596 19548 1409 1 6 . 1 1 18 18 ILE H H 18 7.180 7.180 7.725 -0.545 19548 1410 1 6 . 1 1 19 19 THR N N 19 122.845 122.845 120.750 2.095 19548 1411 1 6 . 1 1 19 19 THR HA H 19 5.117 5.117 5.029 0.088 19548 1412 1 6 . 1 1 19 19 THR CA C 19 61.009 61.009 61.397 -0.388 19548 1413 1 6 . 1 1 19 19 THR CB C 19 71.661 71.661 72.385 -0.724 19548 1414 1 6 . 1 1 19 19 THR H H 19 8.970 8.970 8.703 0.267 19548 1415 1 6 . 1 1 20 20 ILE N N 20 123.857 123.857 122.270 1.587 19548 1416 1 6 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.828 0.064 19548 1417 1 6 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.014 -0.063 19548 1418 1 6 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.748 -1.410 19548 1419 1 6 . 1 1 20 20 ILE H H 20 8.954 8.954 9.058 -0.104 19548 1420 1 6 . 1 1 21 21 THR N N 21 123.681 123.681 119.443 4.238 19548 1421 1 6 . 1 1 21 21 THR HA H 21 4.840 4.840 4.964 -0.124 19548 1422 1 6 . 1 1 21 21 THR CA C 21 61.503 61.503 61.671 -0.168 19548 1423 1 6 . 1 1 21 21 THR CB C 21 71.965 71.965 72.257 -0.292 19548 1424 1 6 . 1 1 21 21 THR H H 21 9.428 9.428 8.865 0.563 19548 1425 1 6 . 1 1 22 22 ILE N N 22 125.758 125.758 125.744 0.014 19548 1426 1 6 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.605 -0.481 19548 1427 1 6 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.327 0.931 19548 1428 1 6 . 1 1 22 22 ILE CB C 22 33.924 33.924 38.252 -4.327 19548 1429 1 6 . 1 1 22 22 ILE H H 22 8.131 8.131 8.335 -0.204 19548 1430 1 6 . 1 1 23 23 LEU N N 23 129.382 129.382 128.084 1.298 19548 1431 1 6 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.306 0.213 19548 1432 1 6 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.233 -0.658 19548 1433 1 6 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.741 0.645 19548 1434 1 6 . 1 1 23 23 LEU H H 23 8.893 8.893 8.264 0.629 19548 1435 1 6 . 1 1 24 24 GLY N N 24 104.715 104.715 104.543 0.172 19548 1436 1 6 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.813 1.171 19548 1437 1 6 . 1 1 24 24 GLY H H 24 7.559 7.559 7.534 0.025 19548 1438 1 6 . 1 1 25 25 VAL N N 25 120.337 120.337 115.198 5.139 19548 1439 1 6 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.913 -0.266 19548 1440 1 6 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.025 2.452 19548 1441 1 6 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.514 0.219 19548 1442 1 6 . 1 1 25 25 VAL H H 25 8.431 8.431 8.353 0.078 19548 1443 1 6 . 1 1 26 26 SER N N 26 121.660 121.660 117.198 4.462 19548 1444 1 6 . 1 1 26 26 SER HA H 26 4.658 4.658 4.592 0.066 19548 1445 1 6 . 1 1 26 26 SER CA C 26 56.395 56.395 58.011 -1.616 19548 1446 1 6 . 1 1 26 26 SER CB C 26 63.731 63.731 63.621 0.110 19548 1447 1 6 . 1 1 26 26 SER H H 26 8.614 8.614 8.887 -0.273 19548 1448 1 6 . 1 1 27 27 GLY N N 27 118.321 118.321 112.535 5.786 19548 1449 1 6 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.735 1.727 19548 1450 1 6 . 1 1 27 27 GLY H H 27 8.916 8.916 8.229 0.687 19548 1451 1 6 . 1 1 28 28 GLN N N 28 124.491 124.491 123.112 1.379 19548 1452 1 6 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.235 0.083 19548 1453 1 6 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.587 -1.482 19548 1454 1 6 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.774 0.964 19548 1455 1 6 . 1 1 28 28 GLN H H 28 8.814 8.814 8.586 0.228 19548 1456 1 6 . 1 1 29 29 GLN N N 29 117.410 117.410 119.551 -2.141 19548 1457 1 6 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.404 0.259 19548 1458 1 6 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.890 -0.506 19548 1459 1 6 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.220 1.150 19548 1460 1 6 . 1 1 29 29 GLN H H 29 8.310 8.310 7.541 0.769 19548 1461 1 6 . 1 1 30 30 VAL N N 30 123.844 123.844 122.005 1.839 19548 1462 1 6 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.374 0.176 19548 1463 1 6 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.593 -0.963 19548 1464 1 6 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.545 0.001 19548 1465 1 6 . 1 1 30 30 VAL H H 30 9.146 9.146 8.363 0.783 19548 1466 1 6 . 1 1 31 31 ARG N N 31 128.326 128.326 127.646 0.680 19548 1467 1 6 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.695 -0.044 19548 1468 1 6 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.266 0.489 19548 1469 1 6 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.591 0.256 19548 1470 1 6 . 1 1 31 31 ARG H H 31 8.742 8.742 8.346 0.396 19548 1471 1 6 . 1 1 32 32 ILE N N 32 127.673 127.673 124.355 3.318 19548 1472 1 6 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.688 -0.055 19548 1473 1 6 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.448 0.338 19548 1474 1 6 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.000 -1.296 19548 1475 1 6 . 1 1 32 32 ILE H H 32 9.018 9.018 8.457 0.561 19548 1476 1 6 . 1 1 33 33 GLY N N 33 112.593 112.593 111.327 1.266 19548 1477 1 6 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.510 1.202 19548 1478 1 6 . 1 1 33 33 GLY H H 33 9.193 9.193 8.774 0.419 19548 1479 1 6 . 1 1 34 34 ILE N N 34 125.160 125.160 120.701 4.459 19548 1480 1 6 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.675 0.128 19548 1481 1 6 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.412 0.486 19548 1482 1 6 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.414 -1.309 19548 1483 1 6 . 1 1 34 34 ILE H H 34 9.635 9.635 8.372 1.263 19548 1484 1 6 . 1 1 35 35 ASN N N 35 129.265 129.265 124.173 5.092 19548 1485 1 6 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.970 0.120 19548 1486 1 6 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.886 -0.775 19548 1487 1 6 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.693 -0.517 19548 1488 1 6 . 1 1 35 35 ASN H H 35 9.012 9.012 8.777 0.235 19548 1489 1 6 . 1 1 36 36 ALA N N 36 125.567 125.567 127.469 -1.902 19548 1490 1 6 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.144 -0.084 19548 1491 1 6 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.688 -0.359 19548 1492 1 6 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.934 -0.951 19548 1493 1 6 . 1 1 36 36 ALA H H 36 8.239 8.239 8.103 0.136 19548 1494 1 6 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.592 -0.183 19548 1495 1 6 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.247 0.654 19548 1496 1 6 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.217 0.182 19548 1497 1 6 . 1 1 38 38 LYS N N 38 121.055 121.055 121.373 -0.318 19548 1498 1 6 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.110 -0.339 19548 1499 1 6 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.771 1.066 19548 1500 1 6 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.787 0.065 19548 1501 1 6 . 1 1 38 38 LYS H H 38 8.559 8.559 8.571 -0.012 19548 1502 1 6 . 1 1 39 39 ASP N N 39 113.847 113.847 118.859 -5.012 19548 1503 1 6 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.470 -0.129 19548 1504 1 6 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.179 -1.148 19548 1505 1 6 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.923 -1.119 19548 1506 1 6 . 1 1 39 39 ASP H H 39 8.139 8.139 8.390 -0.251 19548 1507 1 6 . 1 1 40 40 VAL N N 40 122.630 122.630 114.644 7.986 19548 1508 1 6 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.452 -0.500 19548 1509 1 6 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.775 2.143 19548 1510 1 6 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.211 -3.330 19548 1511 1 6 . 1 1 40 40 VAL H H 40 8.009 8.009 7.448 0.561 19548 1512 1 6 . 1 1 41 41 ALA N N 41 133.597 133.597 124.698 8.899 19548 1513 1 6 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.944 -0.497 19548 1514 1 6 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.260 0.989 19548 1515 1 6 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.268 -1.181 19548 1516 1 6 . 1 1 41 41 ALA H H 41 8.876 8.876 8.216 0.660 19548 1517 1 6 . 1 1 42 42 VAL N N 42 125.047 125.047 117.492 7.555 19548 1518 1 6 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.362 0.042 19548 1519 1 6 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.429 -0.842 19548 1520 1 6 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.106 0.538 19548 1521 1 6 . 1 1 42 42 VAL H H 42 7.805 7.805 7.703 0.102 19548 1522 1 6 . 1 1 43 43 HIS N N 43 118.998 118.998 123.316 -4.318 19548 1523 1 6 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.768 0.713 19548 1524 1 6 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.198 -1.228 19548 1525 1 6 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.199 5.258 19548 1526 1 6 . 1 1 43 43 HIS H H 43 8.657 8.657 8.317 0.340 19548 1527 1 6 . 1 1 44 44 ARG N N 44 122.532 122.532 121.232 1.300 19548 1528 1 6 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.295 -0.366 19548 1529 1 6 . 1 1 44 44 ARG CA C 44 58.401 58.401 55.952 2.449 19548 1530 1 6 . 1 1 44 44 ARG H H 44 8.949 8.949 8.642 0.307 19548 1531 1 6 . 1 1 45 45 GLU N N 45 126.110 126.110 122.611 3.499 19548 1532 1 6 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.013 0.338 19548 1533 1 6 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.513 0.179 19548 1534 1 6 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.621 0.431 19548 1535 1 6 . 1 1 45 45 GLU H H 45 7.878 7.878 8.953 -1.075 19548 1536 1 6 . 1 1 46 46 GLU N N 46 118.207 118.207 118.622 -0.415 19548 1537 1 6 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.164 0.087 19548 1538 1 6 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.145 -0.439 19548 1539 1 6 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.316 -2.253 19548 1540 1 6 . 1 1 46 46 GLU H H 46 10.784 10.784 8.590 2.194 19548 1541 1 6 . 1 1 47 47 ILE N N 47 122.316 122.316 119.910 2.406 19548 1542 1 6 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.843 -0.016 19548 1543 1 6 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.875 -1.695 19548 1544 1 6 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.681 -2.964 19548 1545 1 6 . 1 1 47 47 ILE H H 47 7.229 7.229 7.647 -0.418 19548 1546 1 6 . 1 1 48 48 TYR N N 48 122.269 122.269 121.870 0.399 19548 1547 1 6 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.982 -0.337 19548 1548 1 6 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.940 0.133 19548 1549 1 6 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.120 0.929 19548 1550 1 6 . 1 1 48 48 TYR H H 48 8.124 8.124 8.122 0.002 19548 1551 1 6 . 1 1 49 49 GLN N N 49 115.409 115.409 116.705 -1.296 19548 1552 1 6 . 1 1 49 49 GLN HA H 49 3.836 3.836 4.012 -0.176 19548 1553 1 6 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.063 0.408 19548 1554 1 6 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.343 -0.160 19548 1555 1 6 . 1 1 49 49 GLN H H 49 8.604 8.604 8.082 0.522 19548 1556 1 6 . 1 1 50 50 ARG N N 50 120.065 120.065 116.923 3.142 19548 1557 1 6 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.224 -0.235 19548 1558 1 6 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.268 1.734 19548 1559 1 6 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.427 -0.016 19548 1560 1 6 . 1 1 50 50 ARG H H 50 7.165 7.165 7.604 -0.439 19548 1561 1 6 . 1 1 51 51 ILE N N 51 120.716 120.716 117.727 2.989 19548 1562 1 6 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.028 -0.411 19548 1563 1 6 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.315 1.928 19548 1564 1 6 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.068 -1.067 19548 1565 1 6 . 1 1 51 51 ILE H H 51 7.884 7.884 7.477 0.407 19548 1566 1 6 . 1 1 52 52 GLN N N 52 118.921 118.921 118.900 0.021 19548 1567 1 6 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.989 -0.182 19548 1568 1 6 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.147 1.225 19548 1569 1 6 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.158 1.027 19548 1570 1 6 . 1 1 52 52 GLN H H 52 7.905 7.905 7.857 0.048 19548 1571 1 6 . 1 1 53 53 ALA N N 53 120.638 120.638 120.361 0.277 19548 1572 1 6 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.177 -0.008 19548 1573 1 6 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.877 0.216 19548 1574 1 6 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.765 -0.191 19548 1575 1 6 . 1 1 53 53 ALA H H 53 7.601 7.601 7.875 -0.274 19548 1576 1 6 . 1 1 54 54 GLY N N 54 105.799 105.799 104.307 1.492 19548 1577 1 6 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.932 0.585 19548 1578 1 6 . 1 1 54 54 GLY H H 54 7.720 7.720 7.743 -0.023 19548 1579 1 6 . 1 1 55 55 LEU N N 55 120.711 120.711 116.955 3.756 19548 1580 1 6 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.046 -0.724 19548 1581 1 6 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.614 1.642 19548 1582 1 6 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.781 -0.518 19548 1583 1 6 . 1 1 55 55 LEU H H 55 7.687 7.687 7.823 -0.136 19548 1584 1 6 . 1 1 56 56 THR N N 56 113.068 113.068 112.592 0.476 19548 1585 1 6 . 1 1 56 56 THR HA H 56 4.245 4.245 4.425 -0.180 19548 1586 1 6 . 1 1 56 56 THR CA C 56 61.383 61.383 62.164 -0.781 19548 1587 1 6 . 1 1 56 56 THR CB C 56 69.836 69.836 69.462 0.374 19548 1588 1 6 . 1 1 56 56 THR H H 56 7.746 7.746 8.266 -0.520 19548 1589 1 6 . 1 1 57 57 ALA N N 57 127.221 127.221 124.243 2.978 19548 1590 1 6 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.680 -0.189 19548 1591 1 6 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.512 0.028 19548 1592 1 6 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.999 -1.661 19548 1593 1 6 . 1 1 57 57 ALA H H 57 8.065 8.065 7.648 0.417 19548 1594 1 6 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.466 -0.151 19548 1595 1 6 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.426 0.923 19548 1596 1 6 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.452 -0.522 19548 1597 1 7 . 1 1 2 2 LEU N N 2 124.817 124.817 126.323 -1.506 19548 1598 1 7 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.812 -0.331 19548 1599 1 7 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.101 -0.599 19548 1600 1 7 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.526 -0.116 19548 1601 1 7 . 1 1 2 2 LEU H H 2 8.411 8.411 8.483 -0.072 19548 1602 1 7 . 1 1 3 3 ILE N N 3 130.687 130.687 124.848 5.839 19548 1603 1 7 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.409 0.570 19548 1604 1 7 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.245 -1.224 19548 1605 1 7 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.930 -0.946 19548 1606 1 7 . 1 1 3 3 ILE H H 3 10.326 10.326 8.406 1.920 19548 1607 1 7 . 1 1 4 4 LEU N N 4 123.391 123.391 123.650 -0.259 19548 1608 1 7 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.764 0.019 19548 1609 1 7 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.886 -1.296 19548 1610 1 7 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.504 2.987 19548 1611 1 7 . 1 1 4 4 LEU H H 4 8.793 8.793 8.014 0.779 19548 1612 1 7 . 1 1 5 5 THR HA H 5 5.491 5.491 4.712 0.779 19548 1613 1 7 . 1 1 5 5 THR CA C 5 61.148 61.148 61.699 -0.551 19548 1614 1 7 . 1 1 5 5 THR CB C 5 69.731 69.731 70.392 -0.661 19548 1615 1 7 . 1 1 6 6 ARG N N 6 125.087 125.087 120.660 4.427 19548 1616 1 7 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.556 0.409 19548 1617 1 7 . 1 1 6 6 ARG CA C 6 55.121 55.121 54.857 0.264 19548 1618 1 7 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.705 4.702 19548 1619 1 7 . 1 1 6 6 ARG H H 6 9.367 9.367 8.399 0.968 19548 1620 1 7 . 1 1 7 7 LYS N N 7 123.260 123.260 121.310 1.950 19548 1621 1 7 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.681 0.417 19548 1622 1 7 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.175 0.074 19548 1623 1 7 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.015 -0.760 19548 1624 1 7 . 1 1 7 7 LYS H H 7 9.406 9.406 9.130 0.276 19548 1625 1 7 . 1 1 8 8 VAL N N 8 118.507 118.507 118.937 -0.430 19548 1626 1 7 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.875 -0.568 19548 1627 1 7 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.287 2.690 19548 1628 1 7 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.657 0.915 19548 1629 1 7 . 1 1 8 8 VAL H H 8 7.764 7.764 8.506 -0.742 19548 1630 1 7 . 1 1 9 9 GLY N N 9 116.023 116.023 115.311 0.712 19548 1631 1 7 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.755 -0.180 19548 1632 1 7 . 1 1 9 9 GLY H H 9 9.238 9.238 9.171 0.067 19548 1633 1 7 . 1 1 10 10 GLU N N 10 119.392 119.392 119.586 -0.194 19548 1634 1 7 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.795 0.097 19548 1635 1 7 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.216 1.542 19548 1636 1 7 . 1 1 10 10 GLU CB C 10 32.841 32.841 33.124 -0.283 19548 1637 1 7 . 1 1 10 10 GLU H H 10 8.401 8.401 7.980 0.421 19548 1638 1 7 . 1 1 11 11 SER N N 11 112.280 112.280 113.163 -0.883 19548 1639 1 7 . 1 1 11 11 SER HA H 11 5.870 5.870 5.399 0.471 19548 1640 1 7 . 1 1 11 11 SER CA C 11 57.964 57.964 57.092 0.872 19548 1641 1 7 . 1 1 11 11 SER CB C 11 66.971 66.971 66.039 0.932 19548 1642 1 7 . 1 1 11 11 SER H H 11 8.618 8.618 8.336 0.282 19548 1643 1 7 . 1 1 12 12 ILE N N 12 124.303 124.303 118.900 5.403 19548 1644 1 7 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.411 -0.057 19548 1645 1 7 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.479 -0.498 19548 1646 1 7 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.864 -0.109 19548 1647 1 7 . 1 1 12 12 ILE H H 12 9.328 9.328 8.769 0.559 19548 1648 1 7 . 1 1 13 13 ASN N N 13 126.189 126.189 119.829 6.360 19548 1649 1 7 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.203 -0.186 19548 1650 1 7 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.670 0.729 19548 1651 1 7 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.909 -0.467 19548 1652 1 7 . 1 1 13 13 ASN H H 13 9.395 9.395 8.470 0.925 19548 1653 1 7 . 1 1 14 14 ILE N N 14 123.998 123.998 121.173 2.825 19548 1654 1 7 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.479 -0.034 19548 1655 1 7 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.625 -0.086 19548 1656 1 7 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.464 -2.955 19548 1657 1 7 . 1 1 14 14 ILE H H 14 8.455 8.455 8.380 0.075 19548 1658 1 7 . 1 1 15 15 GLY N N 15 115.223 115.223 112.906 2.317 19548 1659 1 7 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.528 -0.579 19548 1660 1 7 . 1 1 15 15 GLY H H 15 9.039 9.039 8.599 0.440 19548 1661 1 7 . 1 1 16 16 ASP N N 16 120.438 120.438 121.897 -1.459 19548 1662 1 7 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.736 0.176 19548 1663 1 7 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.414 0.892 19548 1664 1 7 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.421 0.945 19548 1665 1 7 . 1 1 16 16 ASP H H 16 8.714 8.714 8.253 0.461 19548 1666 1 7 . 1 1 17 17 ASP N N 17 115.581 115.581 118.988 -3.407 19548 1667 1 7 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.778 -0.050 19548 1668 1 7 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.022 0.157 19548 1669 1 7 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.844 -1.311 19548 1670 1 7 . 1 1 17 17 ASP H H 17 8.158 8.158 7.841 0.317 19548 1671 1 7 . 1 1 18 18 ILE N N 18 118.645 118.645 120.085 -1.440 19548 1672 1 7 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.163 0.025 19548 1673 1 7 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.290 -0.205 19548 1674 1 7 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.179 -2.483 19548 1675 1 7 . 1 1 18 18 ILE H H 18 7.180 7.180 7.695 -0.515 19548 1676 1 7 . 1 1 19 19 THR N N 19 122.845 122.845 120.972 1.873 19548 1677 1 7 . 1 1 19 19 THR HA H 19 5.117 5.117 4.985 0.132 19548 1678 1 7 . 1 1 19 19 THR CA C 19 61.009 61.009 61.418 -0.409 19548 1679 1 7 . 1 1 19 19 THR CB C 19 71.661 71.661 72.191 -0.530 19548 1680 1 7 . 1 1 19 19 THR H H 19 8.970 8.970 8.838 0.132 19548 1681 1 7 . 1 1 20 20 ILE N N 20 123.857 123.857 121.877 1.980 19548 1682 1 7 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.932 -0.040 19548 1683 1 7 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.110 -0.159 19548 1684 1 7 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.165 -1.827 19548 1685 1 7 . 1 1 20 20 ILE H H 20 8.954 8.954 8.954 -0.000 19548 1686 1 7 . 1 1 21 21 THR N N 21 123.681 123.681 120.546 3.135 19548 1687 1 7 . 1 1 21 21 THR HA H 21 4.840 4.840 4.939 -0.099 19548 1688 1 7 . 1 1 21 21 THR CA C 21 61.503 61.503 61.584 -0.082 19548 1689 1 7 . 1 1 21 21 THR CB C 21 71.965 71.965 71.666 0.299 19548 1690 1 7 . 1 1 21 21 THR H H 21 9.428 9.428 8.560 0.868 19548 1691 1 7 . 1 1 22 22 ILE N N 22 125.758 125.758 128.739 -2.981 19548 1692 1 7 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.271 -0.147 19548 1693 1 7 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.239 0.019 19548 1694 1 7 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.810 -3.886 19548 1695 1 7 . 1 1 22 22 ILE H H 22 8.131 8.131 8.592 -0.461 19548 1696 1 7 . 1 1 23 23 LEU N N 23 129.382 129.382 129.756 -0.374 19548 1697 1 7 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.222 0.297 19548 1698 1 7 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.520 0.054 19548 1699 1 7 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.891 0.495 19548 1700 1 7 . 1 1 23 23 LEU H H 23 8.893 8.893 8.231 0.662 19548 1701 1 7 . 1 1 24 24 GLY N N 24 104.715 104.715 104.959 -0.244 19548 1702 1 7 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.979 1.005 19548 1703 1 7 . 1 1 24 24 GLY H H 24 7.559 7.559 7.596 -0.037 19548 1704 1 7 . 1 1 25 25 VAL N N 25 120.337 120.337 119.495 0.842 19548 1705 1 7 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.745 -0.098 19548 1706 1 7 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.863 1.614 19548 1707 1 7 . 1 1 25 25 VAL CB C 25 35.733 35.733 34.816 0.917 19548 1708 1 7 . 1 1 25 25 VAL H H 25 8.431 8.431 8.332 0.099 19548 1709 1 7 . 1 1 26 26 SER N N 26 121.660 121.660 123.600 -1.940 19548 1710 1 7 . 1 1 26 26 SER HA H 26 4.658 4.658 4.659 -0.001 19548 1711 1 7 . 1 1 26 26 SER CA C 26 56.395 56.395 57.848 -1.453 19548 1712 1 7 . 1 1 26 26 SER CB C 26 63.731 63.731 64.722 -0.991 19548 1713 1 7 . 1 1 26 26 SER H H 26 8.614 8.614 8.770 -0.156 19548 1714 1 7 . 1 1 27 27 GLY N N 27 118.321 118.321 115.199 3.122 19548 1715 1 7 . 1 1 27 27 GLY CA C 27 47.462 47.462 46.604 0.858 19548 1716 1 7 . 1 1 27 27 GLY H H 27 8.916 8.916 8.484 0.432 19548 1717 1 7 . 1 1 28 28 GLN N N 28 124.491 124.491 123.058 1.433 19548 1718 1 7 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.409 -0.091 19548 1719 1 7 . 1 1 28 28 GLN CA C 28 55.105 55.105 55.976 -0.871 19548 1720 1 7 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.936 0.802 19548 1721 1 7 . 1 1 28 28 GLN H H 28 8.814 8.814 8.547 0.267 19548 1722 1 7 . 1 1 29 29 GLN N N 29 117.410 117.410 119.997 -2.587 19548 1723 1 7 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.446 0.217 19548 1724 1 7 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.740 -0.356 19548 1725 1 7 . 1 1 29 29 GLN CB C 29 31.370 31.370 29.799 1.571 19548 1726 1 7 . 1 1 29 29 GLN H H 29 8.310 8.310 7.915 0.395 19548 1727 1 7 . 1 1 30 30 VAL N N 30 123.844 123.844 121.433 2.411 19548 1728 1 7 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.443 0.107 19548 1729 1 7 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.266 -0.636 19548 1730 1 7 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.108 0.438 19548 1731 1 7 . 1 1 30 30 VAL H H 30 9.146 9.146 8.424 0.722 19548 1732 1 7 . 1 1 31 31 ARG N N 31 128.326 128.326 128.886 -0.560 19548 1733 1 7 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.569 0.082 19548 1734 1 7 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.782 -0.027 19548 1735 1 7 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.416 0.431 19548 1736 1 7 . 1 1 31 31 ARG H H 31 8.742 8.742 8.136 0.606 19548 1737 1 7 . 1 1 32 32 ILE N N 32 127.673 127.673 123.121 4.552 19548 1738 1 7 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.833 -0.200 19548 1739 1 7 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.458 0.328 19548 1740 1 7 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.084 -1.380 19548 1741 1 7 . 1 1 32 32 ILE H H 32 9.018 9.018 8.389 0.629 19548 1742 1 7 . 1 1 33 33 GLY N N 33 112.593 112.593 111.759 0.834 19548 1743 1 7 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.613 1.099 19548 1744 1 7 . 1 1 33 33 GLY H H 33 9.193 9.193 8.958 0.235 19548 1745 1 7 . 1 1 34 34 ILE N N 34 125.160 125.160 120.151 5.009 19548 1746 1 7 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.737 0.066 19548 1747 1 7 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.216 0.682 19548 1748 1 7 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.298 -1.193 19548 1749 1 7 . 1 1 34 34 ILE H H 34 9.635 9.635 8.160 1.475 19548 1750 1 7 . 1 1 35 35 ASN N N 35 129.265 129.265 123.966 5.299 19548 1751 1 7 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.979 0.111 19548 1752 1 7 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.733 -0.622 19548 1753 1 7 . 1 1 35 35 ASN CB C 35 40.176 40.176 41.008 -0.832 19548 1754 1 7 . 1 1 35 35 ASN H H 35 9.012 9.012 8.763 0.249 19548 1755 1 7 . 1 1 36 36 ALA N N 36 125.567 125.567 127.783 -2.216 19548 1756 1 7 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.208 -0.148 19548 1757 1 7 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.653 -0.324 19548 1758 1 7 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.999 -1.016 19548 1759 1 7 . 1 1 36 36 ALA H H 36 8.239 8.239 8.163 0.076 19548 1760 1 7 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.573 -0.164 19548 1761 1 7 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.201 0.700 19548 1762 1 7 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.485 -0.086 19548 1763 1 7 . 1 1 38 38 LYS N N 38 121.055 121.055 121.232 -0.177 19548 1764 1 7 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.150 -0.379 19548 1765 1 7 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.668 1.169 19548 1766 1 7 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.855 -0.003 19548 1767 1 7 . 1 1 38 38 LYS H H 38 8.559 8.559 8.565 -0.006 19548 1768 1 7 . 1 1 39 39 ASP N N 39 113.847 113.847 119.053 -5.206 19548 1769 1 7 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.487 -0.146 19548 1770 1 7 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.161 -1.131 19548 1771 1 7 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.951 -1.147 19548 1772 1 7 . 1 1 39 39 ASP H H 39 8.139 8.139 8.399 -0.260 19548 1773 1 7 . 1 1 40 40 VAL N N 40 122.630 122.630 114.665 7.965 19548 1774 1 7 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.484 -0.533 19548 1775 1 7 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.772 2.146 19548 1776 1 7 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.164 -3.283 19548 1777 1 7 . 1 1 40 40 VAL H H 40 8.009 8.009 7.467 0.542 19548 1778 1 7 . 1 1 41 41 ALA N N 41 133.597 133.597 123.946 9.651 19548 1779 1 7 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.976 -0.529 19548 1780 1 7 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.112 1.137 19548 1781 1 7 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.513 -1.426 19548 1782 1 7 . 1 1 41 41 ALA H H 41 8.876 8.876 8.290 0.586 19548 1783 1 7 . 1 1 42 42 VAL N N 42 125.047 125.047 117.663 7.384 19548 1784 1 7 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.454 -0.050 19548 1785 1 7 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.036 -0.449 19548 1786 1 7 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.585 0.059 19548 1787 1 7 . 1 1 42 42 VAL H H 42 7.805 7.805 7.886 -0.081 19548 1788 1 7 . 1 1 43 43 HIS N N 43 118.998 118.998 122.309 -3.311 19548 1789 1 7 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.821 0.660 19548 1790 1 7 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.406 -1.436 19548 1791 1 7 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.382 5.075 19548 1792 1 7 . 1 1 43 43 HIS H H 43 8.657 8.657 8.368 0.289 19548 1793 1 7 . 1 1 44 44 ARG N N 44 122.532 122.532 122.077 0.455 19548 1794 1 7 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.308 -0.379 19548 1795 1 7 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.188 2.213 19548 1796 1 7 . 1 1 44 44 ARG H H 44 8.949 8.949 8.636 0.313 19548 1797 1 7 . 1 1 45 45 GLU N N 45 126.110 126.110 123.712 2.398 19548 1798 1 7 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.013 0.338 19548 1799 1 7 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.604 0.088 19548 1800 1 7 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.633 0.419 19548 1801 1 7 . 1 1 45 45 GLU H H 45 7.878 7.878 8.985 -1.107 19548 1802 1 7 . 1 1 46 46 GLU N N 46 118.207 118.207 118.520 -0.313 19548 1803 1 7 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.177 0.074 19548 1804 1 7 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.146 -0.441 19548 1805 1 7 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.462 -2.400 19548 1806 1 7 . 1 1 46 46 GLU H H 46 10.784 10.784 8.646 2.138 19548 1807 1 7 . 1 1 47 47 ILE N N 47 122.316 122.316 119.381 2.935 19548 1808 1 7 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.872 -0.045 19548 1809 1 7 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.405 -1.225 19548 1810 1 7 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.716 -1.999 19548 1811 1 7 . 1 1 47 47 ILE H H 47 7.229 7.229 7.614 -0.385 19548 1812 1 7 . 1 1 48 48 TYR N N 48 122.269 122.269 121.738 0.531 19548 1813 1 7 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.026 -0.381 19548 1814 1 7 . 1 1 48 48 TYR CA C 48 62.072 62.072 62.029 0.043 19548 1815 1 7 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.157 0.892 19548 1816 1 7 . 1 1 48 48 TYR H H 48 8.124 8.124 8.523 -0.399 19548 1817 1 7 . 1 1 49 49 GLN N N 49 115.409 115.409 117.554 -2.145 19548 1818 1 7 . 1 1 49 49 GLN HA H 49 3.836 3.836 4.016 -0.180 19548 1819 1 7 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.975 0.496 19548 1820 1 7 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.399 -0.216 19548 1821 1 7 . 1 1 49 49 GLN H H 49 8.604 8.604 8.058 0.546 19548 1822 1 7 . 1 1 50 50 ARG N N 50 120.065 120.065 117.388 2.677 19548 1823 1 7 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.236 -0.247 19548 1824 1 7 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.235 1.767 19548 1825 1 7 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.355 0.056 19548 1826 1 7 . 1 1 50 50 ARG H H 50 7.165 7.165 7.542 -0.377 19548 1827 1 7 . 1 1 51 51 ILE N N 51 120.716 120.716 118.898 1.818 19548 1828 1 7 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.007 -0.390 19548 1829 1 7 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.788 1.456 19548 1830 1 7 . 1 1 51 51 ILE CB C 51 38.001 38.001 38.905 -0.904 19548 1831 1 7 . 1 1 51 51 ILE H H 51 7.884 7.884 7.537 0.347 19548 1832 1 7 . 1 1 52 52 GLN N N 52 118.921 118.921 118.939 -0.018 19548 1833 1 7 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.954 -0.147 19548 1834 1 7 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.484 0.888 19548 1835 1 7 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.219 0.966 19548 1836 1 7 . 1 1 52 52 GLN H H 52 7.905 7.905 7.842 0.063 19548 1837 1 7 . 1 1 53 53 ALA N N 53 120.638 120.638 120.139 0.499 19548 1838 1 7 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.180 -0.011 19548 1839 1 7 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.878 0.215 19548 1840 1 7 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.792 -0.218 19548 1841 1 7 . 1 1 53 53 ALA H H 53 7.601 7.601 7.862 -0.261 19548 1842 1 7 . 1 1 54 54 GLY N N 54 105.799 105.799 104.260 1.539 19548 1843 1 7 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.983 0.534 19548 1844 1 7 . 1 1 54 54 GLY H H 54 7.720 7.720 7.760 -0.040 19548 1845 1 7 . 1 1 55 55 LEU N N 55 120.711 120.711 117.025 3.686 19548 1846 1 7 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.048 -0.726 19548 1847 1 7 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.591 1.665 19548 1848 1 7 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.891 -0.628 19548 1849 1 7 . 1 1 55 55 LEU H H 55 7.687 7.687 7.890 -0.203 19548 1850 1 7 . 1 1 56 56 THR N N 56 113.068 113.068 112.405 0.663 19548 1851 1 7 . 1 1 56 56 THR HA H 56 4.245 4.245 4.417 -0.172 19548 1852 1 7 . 1 1 56 56 THR CA C 56 61.383 61.383 61.949 -0.566 19548 1853 1 7 . 1 1 56 56 THR CB C 56 69.836 69.836 69.393 0.443 19548 1854 1 7 . 1 1 56 56 THR H H 56 7.746 7.746 8.221 -0.475 19548 1855 1 7 . 1 1 57 57 ALA N N 57 127.221 127.221 123.642 3.579 19548 1856 1 7 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.740 -0.249 19548 1857 1 7 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.231 0.309 19548 1858 1 7 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.696 -2.358 19548 1859 1 7 . 1 1 57 57 ALA H H 57 8.065 8.065 7.375 0.690 19548 1860 1 7 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.205 0.110 19548 1861 1 7 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.133 -0.784 19548 1862 1 7 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.203 -0.273 19548 1863 1 8 . 1 1 2 2 LEU N N 2 124.817 124.817 126.197 -1.380 19548 1864 1 8 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.812 -0.331 19548 1865 1 8 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.096 -0.594 19548 1866 1 8 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.522 -0.112 19548 1867 1 8 . 1 1 2 2 LEU H H 2 8.411 8.411 8.478 -0.067 19548 1868 1 8 . 1 1 3 3 ILE N N 3 130.687 130.687 124.798 5.889 19548 1869 1 8 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.418 0.561 19548 1870 1 8 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.223 -1.202 19548 1871 1 8 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.959 -0.975 19548 1872 1 8 . 1 1 3 3 ILE H H 3 10.326 10.326 8.400 1.926 19548 1873 1 8 . 1 1 4 4 LEU N N 4 123.391 123.391 123.748 -0.357 19548 1874 1 8 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.764 0.019 19548 1875 1 8 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.852 -1.261 19548 1876 1 8 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.475 3.016 19548 1877 1 8 . 1 1 4 4 LEU H H 4 8.793 8.793 8.015 0.778 19548 1878 1 8 . 1 1 5 5 THR HA H 5 5.491 5.491 4.705 0.786 19548 1879 1 8 . 1 1 5 5 THR CA C 5 61.148 61.148 61.669 -0.521 19548 1880 1 8 . 1 1 5 5 THR CB C 5 69.731 69.731 69.972 -0.241 19548 1881 1 8 . 1 1 6 6 ARG N N 6 125.087 125.087 121.355 3.732 19548 1882 1 8 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.435 0.530 19548 1883 1 8 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.522 -0.401 19548 1884 1 8 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.971 5.436 19548 1885 1 8 . 1 1 6 6 ARG H H 6 9.367 9.367 8.360 1.007 19548 1886 1 8 . 1 1 7 7 LYS N N 7 123.260 123.260 122.147 1.113 19548 1887 1 8 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.691 0.407 19548 1888 1 8 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.989 -0.740 19548 1889 1 8 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.307 -1.052 19548 1890 1 8 . 1 1 7 7 LYS H H 7 9.406 9.406 8.965 0.441 19548 1891 1 8 . 1 1 8 8 VAL N N 8 118.507 118.507 118.821 -0.314 19548 1892 1 8 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.956 -0.649 19548 1893 1 8 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.410 2.567 19548 1894 1 8 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.438 1.134 19548 1895 1 8 . 1 1 8 8 VAL H H 8 7.764 7.764 8.322 -0.558 19548 1896 1 8 . 1 1 9 9 GLY N N 9 116.023 116.023 115.842 0.181 19548 1897 1 8 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.883 -0.308 19548 1898 1 8 . 1 1 9 9 GLY H H 9 9.238 9.238 9.344 -0.106 19548 1899 1 8 . 1 1 10 10 GLU N N 10 119.392 119.392 118.827 0.565 19548 1900 1 8 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.776 0.116 19548 1901 1 8 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.587 1.171 19548 1902 1 8 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.797 0.044 19548 1903 1 8 . 1 1 10 10 GLU H H 10 8.401 8.401 7.911 0.490 19548 1904 1 8 . 1 1 11 11 SER N N 11 112.280 112.280 112.971 -0.691 19548 1905 1 8 . 1 1 11 11 SER HA H 11 5.870 5.870 5.338 0.532 19548 1906 1 8 . 1 1 11 11 SER CA C 11 57.964 57.964 57.373 0.591 19548 1907 1 8 . 1 1 11 11 SER CB C 11 66.971 66.971 66.329 0.642 19548 1908 1 8 . 1 1 11 11 SER H H 11 8.618 8.618 8.418 0.200 19548 1909 1 8 . 1 1 12 12 ILE N N 12 124.303 124.303 120.483 3.820 19548 1910 1 8 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.562 -0.208 19548 1911 1 8 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.645 0.336 19548 1912 1 8 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.482 0.273 19548 1913 1 8 . 1 1 12 12 ILE H H 12 9.328 9.328 8.887 0.441 19548 1914 1 8 . 1 1 13 13 ASN N N 13 126.189 126.189 120.300 5.889 19548 1915 1 8 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.041 -0.024 19548 1916 1 8 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.576 0.823 19548 1917 1 8 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.958 -0.515 19548 1918 1 8 . 1 1 13 13 ASN H H 13 9.395 9.395 8.470 0.924 19548 1919 1 8 . 1 1 14 14 ILE N N 14 123.998 123.998 120.926 3.072 19548 1920 1 8 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.481 -0.036 19548 1921 1 8 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.629 -0.090 19548 1922 1 8 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.587 -3.078 19548 1923 1 8 . 1 1 14 14 ILE H H 14 8.455 8.455 8.422 0.033 19548 1924 1 8 . 1 1 15 15 GLY N N 15 115.223 115.223 113.037 2.186 19548 1925 1 8 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.207 -0.259 19548 1926 1 8 . 1 1 15 15 GLY H H 15 9.039 9.039 8.594 0.445 19548 1927 1 8 . 1 1 16 16 ASP N N 16 120.438 120.438 120.958 -0.520 19548 1928 1 8 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.697 0.215 19548 1929 1 8 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.066 1.240 19548 1930 1 8 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.388 0.978 19548 1931 1 8 . 1 1 16 16 ASP H H 16 8.714 8.714 8.333 0.381 19548 1932 1 8 . 1 1 17 17 ASP N N 17 115.581 115.581 119.869 -4.288 19548 1933 1 8 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.856 -0.128 19548 1934 1 8 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.025 0.154 19548 1935 1 8 . 1 1 17 17 ASP CB C 17 42.533 42.533 44.011 -1.478 19548 1936 1 8 . 1 1 17 17 ASP H H 17 8.158 8.158 7.868 0.290 19548 1937 1 8 . 1 1 18 18 ILE N N 18 118.645 118.645 120.228 -1.583 19548 1938 1 8 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.166 0.022 19548 1939 1 8 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.031 0.054 19548 1940 1 8 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.102 -2.406 19548 1941 1 8 . 1 1 18 18 ILE H H 18 7.180 7.180 7.730 -0.550 19548 1942 1 8 . 1 1 19 19 THR N N 19 122.845 122.845 120.740 2.105 19548 1943 1 8 . 1 1 19 19 THR HA H 19 5.117 5.117 5.031 0.086 19548 1944 1 8 . 1 1 19 19 THR CA C 19 61.009 61.009 61.383 -0.374 19548 1945 1 8 . 1 1 19 19 THR CB C 19 71.661 71.661 72.534 -0.873 19548 1946 1 8 . 1 1 19 19 THR H H 19 8.970 8.970 8.918 0.052 19548 1947 1 8 . 1 1 20 20 ILE N N 20 123.857 123.857 121.836 2.021 19548 1948 1 8 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.845 0.047 19548 1949 1 8 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.400 -0.449 19548 1950 1 8 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.063 -1.725 19548 1951 1 8 . 1 1 20 20 ILE H H 20 8.954 8.954 9.130 -0.176 19548 1952 1 8 . 1 1 21 21 THR N N 21 123.681 123.681 119.929 3.752 19548 1953 1 8 . 1 1 21 21 THR HA H 21 4.840 4.840 4.979 -0.139 19548 1954 1 8 . 1 1 21 21 THR CA C 21 61.503 61.503 61.245 0.258 19548 1955 1 8 . 1 1 21 21 THR CB C 21 71.965 71.965 72.141 -0.176 19548 1956 1 8 . 1 1 21 21 THR H H 21 9.428 9.428 8.821 0.607 19548 1957 1 8 . 1 1 22 22 ILE N N 22 125.758 125.758 126.117 -0.359 19548 1958 1 8 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.527 -0.403 19548 1959 1 8 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.304 0.954 19548 1960 1 8 . 1 1 22 22 ILE CB C 22 33.924 33.924 38.085 -4.161 19548 1961 1 8 . 1 1 22 22 ILE H H 22 8.131 8.131 8.438 -0.307 19548 1962 1 8 . 1 1 23 23 LEU N N 23 129.382 129.382 128.568 0.814 19548 1963 1 8 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.362 0.157 19548 1964 1 8 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.034 -0.460 19548 1965 1 8 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.849 0.537 19548 1966 1 8 . 1 1 23 23 LEU H H 23 8.893 8.893 8.262 0.631 19548 1967 1 8 . 1 1 24 24 GLY N N 24 104.715 104.715 104.803 -0.088 19548 1968 1 8 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.737 1.247 19548 1969 1 8 . 1 1 24 24 GLY H H 24 7.559 7.559 7.541 0.018 19548 1970 1 8 . 1 1 25 25 VAL N N 25 120.337 120.337 115.463 4.874 19548 1971 1 8 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.782 -0.135 19548 1972 1 8 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.982 2.495 19548 1973 1 8 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.496 0.237 19548 1974 1 8 . 1 1 25 25 VAL H H 25 8.431 8.431 8.308 0.123 19548 1975 1 8 . 1 1 26 26 SER N N 26 121.660 121.660 116.919 4.741 19548 1976 1 8 . 1 1 26 26 SER HA H 26 4.658 4.658 4.588 0.070 19548 1977 1 8 . 1 1 26 26 SER CA C 26 56.395 56.395 58.166 -1.770 19548 1978 1 8 . 1 1 26 26 SER CB C 26 63.731 63.731 63.843 -0.112 19548 1979 1 8 . 1 1 26 26 SER H H 26 8.614 8.614 8.974 -0.360 19548 1980 1 8 . 1 1 27 27 GLY N N 27 118.321 118.321 112.357 5.964 19548 1981 1 8 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.724 1.738 19548 1982 1 8 . 1 1 27 27 GLY H H 27 8.916 8.916 8.229 0.687 19548 1983 1 8 . 1 1 28 28 GLN N N 28 124.491 124.491 123.105 1.386 19548 1984 1 8 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.228 0.090 19548 1985 1 8 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.607 -1.502 19548 1986 1 8 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.793 0.945 19548 1987 1 8 . 1 1 28 28 GLN H H 28 8.814 8.814 8.578 0.236 19548 1988 1 8 . 1 1 29 29 GLN N N 29 117.410 117.410 119.256 -1.846 19548 1989 1 8 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.422 0.241 19548 1990 1 8 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.577 -0.193 19548 1991 1 8 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.382 0.988 19548 1992 1 8 . 1 1 29 29 GLN H H 29 8.310 8.310 7.564 0.746 19548 1993 1 8 . 1 1 30 30 VAL N N 30 123.844 123.844 122.810 1.034 19548 1994 1 8 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.363 0.187 19548 1995 1 8 . 1 1 30 30 VAL CA C 30 60.630 60.630 60.882 -0.251 19548 1996 1 8 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.641 -0.095 19548 1997 1 8 . 1 1 30 30 VAL H H 30 9.146 9.146 8.375 0.771 19548 1998 1 8 . 1 1 31 31 ARG N N 31 128.326 128.326 128.099 0.227 19548 1999 1 8 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.607 0.044 19548 2000 1 8 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.514 0.241 19548 2001 1 8 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.620 0.227 19548 2002 1 8 . 1 1 31 31 ARG H H 31 8.742 8.742 8.367 0.375 19548 2003 1 8 . 1 1 32 32 ILE N N 32 127.673 127.673 122.848 4.825 19548 2004 1 8 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.811 -0.178 19548 2005 1 8 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.529 0.258 19548 2006 1 8 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.276 -1.572 19548 2007 1 8 . 1 1 32 32 ILE H H 32 9.018 9.018 8.414 0.604 19548 2008 1 8 . 1 1 33 33 GLY N N 33 112.593 112.593 111.067 1.526 19548 2009 1 8 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.843 0.869 19548 2010 1 8 . 1 1 33 33 GLY H H 33 9.193 9.193 8.876 0.317 19548 2011 1 8 . 1 1 34 34 ILE N N 34 125.160 125.160 120.018 5.142 19548 2012 1 8 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.732 0.071 19548 2013 1 8 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.269 0.629 19548 2014 1 8 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.509 -1.404 19548 2015 1 8 . 1 1 34 34 ILE H H 34 9.635 9.635 8.193 1.442 19548 2016 1 8 . 1 1 35 35 ASN N N 35 129.265 129.265 123.726 5.539 19548 2017 1 8 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.983 0.107 19548 2018 1 8 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.714 -0.603 19548 2019 1 8 . 1 1 35 35 ASN CB C 35 40.176 40.176 41.056 -0.880 19548 2020 1 8 . 1 1 35 35 ASN H H 35 9.012 9.012 8.852 0.160 19548 2021 1 8 . 1 1 36 36 ALA N N 36 125.567 125.567 127.778 -2.211 19548 2022 1 8 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.169 -0.109 19548 2023 1 8 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.672 -0.343 19548 2024 1 8 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.034 -1.051 19548 2025 1 8 . 1 1 36 36 ALA H H 36 8.239 8.239 8.159 0.080 19548 2026 1 8 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.576 -0.167 19548 2027 1 8 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.170 0.731 19548 2028 1 8 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.468 -0.069 19548 2029 1 8 . 1 1 38 38 LYS N N 38 121.055 121.055 121.596 -0.541 19548 2030 1 8 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.110 -0.339 19548 2031 1 8 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.774 1.063 19548 2032 1 8 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.781 0.071 19548 2033 1 8 . 1 1 38 38 LYS H H 38 8.559 8.559 8.579 -0.020 19548 2034 1 8 . 1 1 39 39 ASP N N 39 113.847 113.847 118.800 -4.953 19548 2035 1 8 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.470 -0.129 19548 2036 1 8 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.205 -1.174 19548 2037 1 8 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.932 -1.128 19548 2038 1 8 . 1 1 39 39 ASP H H 39 8.139 8.139 8.391 -0.252 19548 2039 1 8 . 1 1 40 40 VAL N N 40 122.630 122.630 114.502 8.128 19548 2040 1 8 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.481 -0.530 19548 2041 1 8 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.782 2.136 19548 2042 1 8 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.218 -3.337 19548 2043 1 8 . 1 1 40 40 VAL H H 40 8.009 8.009 7.494 0.515 19548 2044 1 8 . 1 1 41 41 ALA N N 41 133.597 133.597 124.445 9.152 19548 2045 1 8 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.914 -0.467 19548 2046 1 8 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.383 0.866 19548 2047 1 8 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.599 -1.512 19548 2048 1 8 . 1 1 41 41 ALA H H 41 8.876 8.876 8.203 0.673 19548 2049 1 8 . 1 1 42 42 VAL N N 42 125.047 125.047 117.299 7.748 19548 2050 1 8 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.348 0.056 19548 2051 1 8 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.636 -1.049 19548 2052 1 8 . 1 1 42 42 VAL CB C 42 33.644 33.644 32.828 0.816 19548 2053 1 8 . 1 1 42 42 VAL H H 42 7.805 7.805 7.762 0.043 19548 2054 1 8 . 1 1 43 43 HIS N N 43 118.998 118.998 123.783 -4.785 19548 2055 1 8 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.826 0.655 19548 2056 1 8 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.333 -1.363 19548 2057 1 8 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.619 4.838 19548 2058 1 8 . 1 1 43 43 HIS H H 43 8.657 8.657 8.254 0.403 19548 2059 1 8 . 1 1 44 44 ARG N N 44 122.532 122.532 120.972 1.560 19548 2060 1 8 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.382 -0.453 19548 2061 1 8 . 1 1 44 44 ARG CA C 44 58.401 58.401 55.967 2.434 19548 2062 1 8 . 1 1 44 44 ARG H H 44 8.949 8.949 8.620 0.329 19548 2063 1 8 . 1 1 45 45 GLU N N 45 126.110 126.110 121.932 4.178 19548 2064 1 8 . 1 1 45 45 GLU HA H 45 4.351 4.351 3.987 0.364 19548 2065 1 8 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.437 0.255 19548 2066 1 8 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.658 0.394 19548 2067 1 8 . 1 1 45 45 GLU H H 45 7.878 7.878 8.953 -1.075 19548 2068 1 8 . 1 1 46 46 GLU N N 46 118.207 118.207 118.766 -0.559 19548 2069 1 8 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.155 0.096 19548 2070 1 8 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.103 -0.398 19548 2071 1 8 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.372 -2.310 19548 2072 1 8 . 1 1 46 46 GLU H H 46 10.784 10.784 8.531 2.253 19548 2073 1 8 . 1 1 47 47 ILE N N 47 122.316 122.316 119.893 2.423 19548 2074 1 8 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.838 -0.011 19548 2075 1 8 . 1 1 47 47 ILE CA C 47 61.180 61.180 63.272 -2.092 19548 2076 1 8 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.800 -3.083 19548 2077 1 8 . 1 1 47 47 ILE H H 47 7.229 7.229 7.695 -0.466 19548 2078 1 8 . 1 1 48 48 TYR N N 48 122.269 122.269 122.244 0.025 19548 2079 1 8 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.000 -0.355 19548 2080 1 8 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.942 0.130 19548 2081 1 8 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.221 0.828 19548 2082 1 8 . 1 1 48 48 TYR H H 48 8.124 8.124 8.056 0.068 19548 2083 1 8 . 1 1 49 49 GLN N N 49 115.409 115.409 117.515 -2.106 19548 2084 1 8 . 1 1 49 49 GLN HA H 49 3.836 3.836 4.002 -0.166 19548 2085 1 8 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.060 0.411 19548 2086 1 8 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.445 -0.262 19548 2087 1 8 . 1 1 49 49 GLN H H 49 8.604 8.604 7.965 0.639 19548 2088 1 8 . 1 1 50 50 ARG N N 50 120.065 120.065 117.652 2.413 19548 2089 1 8 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.243 -0.254 19548 2090 1 8 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.544 1.458 19548 2091 1 8 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.561 -0.150 19548 2092 1 8 . 1 1 50 50 ARG H H 50 7.165 7.165 7.646 -0.481 19548 2093 1 8 . 1 1 51 51 ILE N N 51 120.716 120.716 119.476 1.240 19548 2094 1 8 . 1 1 51 51 ILE HA H 51 3.617 3.617 3.996 -0.379 19548 2095 1 8 . 1 1 51 51 ILE CA C 51 64.243 64.243 63.103 1.140 19548 2096 1 8 . 1 1 51 51 ILE CB C 51 38.001 38.001 38.862 -0.861 19548 2097 1 8 . 1 1 51 51 ILE H H 51 7.884 7.884 7.793 0.091 19548 2098 1 8 . 1 1 52 52 GLN N N 52 118.921 118.921 119.133 -0.212 19548 2099 1 8 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.097 -0.290 19548 2100 1 8 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.076 1.296 19548 2101 1 8 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.302 0.883 19548 2102 1 8 . 1 1 52 52 GLN H H 52 7.905 7.905 7.730 0.175 19548 2103 1 8 . 1 1 53 53 ALA N N 53 120.638 120.638 120.377 0.261 19548 2104 1 8 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.184 -0.015 19548 2105 1 8 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.874 0.219 19548 2106 1 8 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.793 -0.219 19548 2107 1 8 . 1 1 53 53 ALA H H 53 7.601 7.601 7.897 -0.296 19548 2108 1 8 . 1 1 54 54 GLY N N 54 105.799 105.799 104.993 0.806 19548 2109 1 8 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.115 0.402 19548 2110 1 8 . 1 1 54 54 GLY H H 54 7.720 7.720 7.553 0.167 19548 2111 1 8 . 1 1 55 55 LEU N N 55 120.711 120.711 115.061 5.650 19548 2112 1 8 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.866 -0.544 19548 2113 1 8 . 1 1 55 55 LEU CA C 55 55.256 55.256 54.915 0.341 19548 2114 1 8 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.051 0.212 19548 2115 1 8 . 1 1 55 55 LEU H H 55 7.687 7.687 7.559 0.128 19548 2116 1 8 . 1 1 56 56 THR N N 56 113.068 113.068 116.773 -3.705 19548 2117 1 8 . 1 1 56 56 THR HA H 56 4.245 4.245 4.203 0.042 19548 2118 1 8 . 1 1 56 56 THR CA C 56 61.383 61.383 63.834 -2.451 19548 2119 1 8 . 1 1 56 56 THR CB C 56 69.836 69.836 68.872 0.964 19548 2120 1 8 . 1 1 56 56 THR H H 56 7.746 7.746 8.007 -0.261 19548 2121 1 8 . 1 1 57 57 ALA N N 57 127.221 127.221 123.131 4.090 19548 2122 1 8 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.773 -0.282 19548 2123 1 8 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.218 0.322 19548 2124 1 8 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.078 -0.740 19548 2125 1 8 . 1 1 57 57 ALA H H 57 8.065 8.065 7.617 0.448 19548 2126 1 8 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.236 0.079 19548 2127 1 8 . 1 1 58 58 PRO CA C 58 63.349 63.349 63.949 -0.600 19548 2128 1 8 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.136 -0.206 19548 2129 1 9 . 1 1 2 2 LEU N N 2 124.817 124.817 126.094 -1.277 19548 2130 1 9 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.815 -0.334 19548 2131 1 9 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.140 -0.638 19548 2132 1 9 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.631 -0.221 19548 2133 1 9 . 1 1 2 2 LEU H H 2 8.411 8.411 8.470 -0.059 19548 2134 1 9 . 1 1 3 3 ILE N N 3 130.687 130.687 124.772 5.915 19548 2135 1 9 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.424 0.555 19548 2136 1 9 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.214 -1.193 19548 2137 1 9 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.028 -1.044 19548 2138 1 9 . 1 1 3 3 ILE H H 3 10.326 10.326 8.401 1.925 19548 2139 1 9 . 1 1 4 4 LEU N N 4 123.391 123.391 123.729 -0.338 19548 2140 1 9 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.781 0.002 19548 2141 1 9 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.836 -1.245 19548 2142 1 9 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.364 3.127 19548 2143 1 9 . 1 1 4 4 LEU H H 4 8.793 8.793 8.036 0.757 19548 2144 1 9 . 1 1 5 5 THR HA H 5 5.491 5.491 4.741 0.750 19548 2145 1 9 . 1 1 5 5 THR CA C 5 61.148 61.148 61.658 -0.510 19548 2146 1 9 . 1 1 5 5 THR CB C 5 69.731 69.731 70.165 -0.434 19548 2147 1 9 . 1 1 6 6 ARG N N 6 125.087 125.087 121.949 3.138 19548 2148 1 9 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.502 0.463 19548 2149 1 9 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.360 -0.239 19548 2150 1 9 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.290 5.117 19548 2151 1 9 . 1 1 6 6 ARG H H 6 9.367 9.367 8.376 0.991 19548 2152 1 9 . 1 1 7 7 LYS N N 7 123.260 123.260 121.231 2.029 19548 2153 1 9 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.752 0.346 19548 2154 1 9 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.863 -0.614 19548 2155 1 9 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.553 -1.298 19548 2156 1 9 . 1 1 7 7 LYS H H 7 9.406 9.406 9.304 0.102 19548 2157 1 9 . 1 1 8 8 VAL N N 8 118.507 118.507 118.106 0.401 19548 2158 1 9 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.830 -0.523 19548 2159 1 9 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.692 2.285 19548 2160 1 9 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.971 0.601 19548 2161 1 9 . 1 1 8 8 VAL H H 8 7.764 7.764 8.406 -0.642 19548 2162 1 9 . 1 1 9 9 GLY N N 9 116.023 116.023 114.338 1.685 19548 2163 1 9 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.849 -0.274 19548 2164 1 9 . 1 1 9 9 GLY H H 9 9.238 9.238 9.165 0.073 19548 2165 1 9 . 1 1 10 10 GLU N N 10 119.392 119.392 120.063 -0.671 19548 2166 1 9 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.737 0.155 19548 2167 1 9 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.622 1.136 19548 2168 1 9 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.200 0.641 19548 2169 1 9 . 1 1 10 10 GLU H H 10 8.401 8.401 7.866 0.535 19548 2170 1 9 . 1 1 11 11 SER N N 11 112.280 112.280 113.088 -0.808 19548 2171 1 9 . 1 1 11 11 SER HA H 11 5.870 5.870 5.297 0.573 19548 2172 1 9 . 1 1 11 11 SER CA C 11 57.964 57.964 57.170 0.794 19548 2173 1 9 . 1 1 11 11 SER CB C 11 66.971 66.971 66.095 0.876 19548 2174 1 9 . 1 1 11 11 SER H H 11 8.618 8.618 8.345 0.273 19548 2175 1 9 . 1 1 12 12 ILE N N 12 124.303 124.303 119.893 4.410 19548 2176 1 9 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.500 -0.146 19548 2177 1 9 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.148 -0.167 19548 2178 1 9 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.977 -0.222 19548 2179 1 9 . 1 1 12 12 ILE H H 12 9.328 9.328 8.947 0.381 19548 2180 1 9 . 1 1 13 13 ASN N N 13 126.189 126.189 121.021 5.168 19548 2181 1 9 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.253 -0.236 19548 2182 1 9 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.253 1.146 19548 2183 1 9 . 1 1 13 13 ASN CB C 13 41.442 41.442 42.089 -0.647 19548 2184 1 9 . 1 1 13 13 ASN H H 13 9.395 9.395 8.409 0.986 19548 2185 1 9 . 1 1 14 14 ILE N N 14 123.998 123.998 120.405 3.593 19548 2186 1 9 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.423 0.022 19548 2187 1 9 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.735 -0.196 19548 2188 1 9 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.583 -3.074 19548 2189 1 9 . 1 1 14 14 ILE H H 14 8.455 8.455 8.476 -0.021 19548 2190 1 9 . 1 1 15 15 GLY N N 15 115.223 115.223 113.602 1.621 19548 2191 1 9 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.243 -0.295 19548 2192 1 9 . 1 1 15 15 GLY H H 15 9.039 9.039 8.603 0.436 19548 2193 1 9 . 1 1 16 16 ASP N N 16 120.438 120.438 120.989 -0.551 19548 2194 1 9 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.692 0.220 19548 2195 1 9 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.071 1.235 19548 2196 1 9 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.427 0.939 19548 2197 1 9 . 1 1 16 16 ASP H H 16 8.714 8.714 8.342 0.372 19548 2198 1 9 . 1 1 17 17 ASP N N 17 115.581 115.581 119.914 -4.333 19548 2199 1 9 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.857 -0.129 19548 2200 1 9 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.052 0.127 19548 2201 1 9 . 1 1 17 17 ASP CB C 17 42.533 42.533 44.047 -1.514 19548 2202 1 9 . 1 1 17 17 ASP H H 17 8.158 8.158 7.857 0.301 19548 2203 1 9 . 1 1 18 18 ILE N N 18 118.645 118.645 120.112 -1.467 19548 2204 1 9 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.049 0.139 19548 2205 1 9 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.391 -0.306 19548 2206 1 9 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.102 -2.406 19548 2207 1 9 . 1 1 18 18 ILE H H 18 7.180 7.180 7.660 -0.480 19548 2208 1 9 . 1 1 19 19 THR N N 19 122.845 122.845 121.062 1.783 19548 2209 1 9 . 1 1 19 19 THR HA H 19 5.117 5.117 5.005 0.112 19548 2210 1 9 . 1 1 19 19 THR CA C 19 61.009 61.009 61.589 -0.580 19548 2211 1 9 . 1 1 19 19 THR CB C 19 71.661 71.661 72.332 -0.671 19548 2212 1 9 . 1 1 19 19 THR H H 19 8.970 8.970 8.824 0.146 19548 2213 1 9 . 1 1 20 20 ILE N N 20 123.857 123.857 121.829 2.028 19548 2214 1 9 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.906 -0.014 19548 2215 1 9 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.396 -0.445 19548 2216 1 9 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.235 -1.897 19548 2217 1 9 . 1 1 20 20 ILE H H 20 8.954 8.954 9.108 -0.154 19548 2218 1 9 . 1 1 21 21 THR N N 21 123.681 123.681 119.132 4.549 19548 2219 1 9 . 1 1 21 21 THR HA H 21 4.840 4.840 4.931 -0.091 19548 2220 1 9 . 1 1 21 21 THR CA C 21 61.503 61.503 61.341 0.162 19548 2221 1 9 . 1 1 21 21 THR CB C 21 71.965 71.965 72.225 -0.260 19548 2222 1 9 . 1 1 21 21 THR H H 21 9.428 9.428 8.801 0.627 19548 2223 1 9 . 1 1 22 22 ILE N N 22 125.758 125.758 126.287 -0.529 19548 2224 1 9 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.544 -0.420 19548 2225 1 9 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.241 1.017 19548 2226 1 9 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.858 -3.934 19548 2227 1 9 . 1 1 22 22 ILE H H 22 8.131 8.131 8.443 -0.312 19548 2228 1 9 . 1 1 23 23 LEU N N 23 129.382 129.382 127.987 1.395 19548 2229 1 9 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.289 0.230 19548 2230 1 9 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.223 -0.649 19548 2231 1 9 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.658 0.728 19548 2232 1 9 . 1 1 23 23 LEU H H 23 8.893 8.893 8.234 0.659 19548 2233 1 9 . 1 1 24 24 GLY N N 24 104.715 104.715 104.250 0.465 19548 2234 1 9 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.949 1.035 19548 2235 1 9 . 1 1 24 24 GLY H H 24 7.559 7.559 7.548 0.011 19548 2236 1 9 . 1 1 25 25 VAL N N 25 120.337 120.337 119.289 1.048 19548 2237 1 9 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.741 -0.094 19548 2238 1 9 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.272 1.205 19548 2239 1 9 . 1 1 25 25 VAL CB C 25 35.733 35.733 34.878 0.855 19548 2240 1 9 . 1 1 25 25 VAL H H 25 8.431 8.431 8.313 0.118 19548 2241 1 9 . 1 1 26 26 SER N N 26 121.660 121.660 124.379 -2.719 19548 2242 1 9 . 1 1 26 26 SER HA H 26 4.658 4.658 4.730 -0.072 19548 2243 1 9 . 1 1 26 26 SER CA C 26 56.395 56.395 57.931 -1.536 19548 2244 1 9 . 1 1 26 26 SER CB C 26 63.731 63.731 63.689 0.042 19548 2245 1 9 . 1 1 26 26 SER H H 26 8.614 8.614 9.152 -0.538 19548 2246 1 9 . 1 1 27 27 GLY N N 27 118.321 118.321 112.737 5.584 19548 2247 1 9 . 1 1 27 27 GLY CA C 27 47.462 47.462 46.052 1.410 19548 2248 1 9 . 1 1 27 27 GLY H H 27 8.916 8.916 8.504 0.412 19548 2249 1 9 . 1 1 28 28 GLN N N 28 124.491 124.491 122.978 1.513 19548 2250 1 9 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.249 0.069 19548 2251 1 9 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.520 -1.415 19548 2252 1 9 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.743 0.995 19548 2253 1 9 . 1 1 28 28 GLN H H 28 8.814 8.814 8.576 0.238 19548 2254 1 9 . 1 1 29 29 GLN N N 29 117.410 117.410 119.677 -2.267 19548 2255 1 9 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.412 0.251 19548 2256 1 9 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.841 -0.457 19548 2257 1 9 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.219 1.151 19548 2258 1 9 . 1 1 29 29 GLN H H 29 8.310 8.310 7.541 0.769 19548 2259 1 9 . 1 1 30 30 VAL N N 30 123.844 123.844 122.418 1.426 19548 2260 1 9 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.428 0.122 19548 2261 1 9 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.552 -0.922 19548 2262 1 9 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.347 0.199 19548 2263 1 9 . 1 1 30 30 VAL H H 30 9.146 9.146 8.380 0.766 19548 2264 1 9 . 1 1 31 31 ARG N N 31 128.326 128.326 127.987 0.339 19548 2265 1 9 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.698 -0.047 19548 2266 1 9 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.109 0.646 19548 2267 1 9 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.924 -0.077 19548 2268 1 9 . 1 1 31 31 ARG H H 31 8.742 8.742 8.343 0.399 19548 2269 1 9 . 1 1 32 32 ILE N N 32 127.673 127.673 123.948 3.725 19548 2270 1 9 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.717 -0.084 19548 2271 1 9 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.497 0.289 19548 2272 1 9 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.005 -1.300 19548 2273 1 9 . 1 1 32 32 ILE H H 32 9.018 9.018 8.444 0.574 19548 2274 1 9 . 1 1 33 33 GLY N N 33 112.593 112.593 111.960 0.633 19548 2275 1 9 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.369 1.343 19548 2276 1 9 . 1 1 33 33 GLY H H 33 9.193 9.193 8.819 0.374 19548 2277 1 9 . 1 1 34 34 ILE N N 34 125.160 125.160 121.132 4.028 19548 2278 1 9 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.655 0.148 19548 2279 1 9 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.315 0.583 19548 2280 1 9 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.251 -1.146 19548 2281 1 9 . 1 1 34 34 ILE H H 34 9.635 9.635 8.374 1.261 19548 2282 1 9 . 1 1 35 35 ASN N N 35 129.265 129.265 124.197 5.068 19548 2283 1 9 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.965 0.125 19548 2284 1 9 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.991 -0.880 19548 2285 1 9 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.964 -0.788 19548 2286 1 9 . 1 1 35 35 ASN H H 35 9.012 9.012 8.740 0.272 19548 2287 1 9 . 1 1 36 36 ALA N N 36 125.567 125.567 127.685 -2.118 19548 2288 1 9 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.175 -0.115 19548 2289 1 9 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.611 -0.282 19548 2290 1 9 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.025 -1.042 19548 2291 1 9 . 1 1 36 36 ALA H H 36 8.239 8.239 8.142 0.097 19548 2292 1 9 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.611 -0.202 19548 2293 1 9 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.258 0.643 19548 2294 1 9 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.280 0.119 19548 2295 1 9 . 1 1 38 38 LYS N N 38 121.055 121.055 121.271 -0.216 19548 2296 1 9 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.143 -0.372 19548 2297 1 9 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.748 1.089 19548 2298 1 9 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.868 -0.016 19548 2299 1 9 . 1 1 38 38 LYS H H 38 8.559 8.559 8.570 -0.011 19548 2300 1 9 . 1 1 39 39 ASP N N 39 113.847 113.847 119.036 -5.189 19548 2301 1 9 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.492 -0.151 19548 2302 1 9 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.164 -1.133 19548 2303 1 9 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.954 -1.150 19548 2304 1 9 . 1 1 39 39 ASP H H 39 8.139 8.139 8.399 -0.260 19548 2305 1 9 . 1 1 40 40 VAL N N 40 122.630 122.630 114.753 7.877 19548 2306 1 9 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.472 -0.521 19548 2307 1 9 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.713 2.205 19548 2308 1 9 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.103 -3.223 19548 2309 1 9 . 1 1 40 40 VAL H H 40 8.009 8.009 7.472 0.537 19548 2310 1 9 . 1 1 41 41 ALA N N 41 133.597 133.597 125.061 8.536 19548 2311 1 9 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.948 -0.501 19548 2312 1 9 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.237 1.012 19548 2313 1 9 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.255 -1.168 19548 2314 1 9 . 1 1 41 41 ALA H H 41 8.876 8.876 8.258 0.618 19548 2315 1 9 . 1 1 42 42 VAL N N 42 125.047 125.047 118.795 6.252 19548 2316 1 9 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.425 -0.021 19548 2317 1 9 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.347 -0.760 19548 2318 1 9 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.267 0.377 19548 2319 1 9 . 1 1 42 42 VAL H H 42 7.805 7.805 7.914 -0.109 19548 2320 1 9 . 1 1 43 43 HIS N N 43 118.998 118.998 124.285 -5.287 19548 2321 1 9 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.938 0.543 19548 2322 1 9 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.459 -1.488 19548 2323 1 9 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.165 5.292 19548 2324 1 9 . 1 1 43 43 HIS H H 43 8.657 8.657 8.328 0.329 19548 2325 1 9 . 1 1 44 44 ARG N N 44 122.532 122.532 121.200 1.332 19548 2326 1 9 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.501 -0.572 19548 2327 1 9 . 1 1 44 44 ARG CA C 44 58.401 58.401 55.514 2.887 19548 2328 1 9 . 1 1 44 44 ARG H H 44 8.949 8.949 8.590 0.359 19548 2329 1 9 . 1 1 45 45 GLU N N 45 126.110 126.110 121.887 4.223 19548 2330 1 9 . 1 1 45 45 GLU HA H 45 4.351 4.351 3.999 0.352 19548 2331 1 9 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.718 -0.026 19548 2332 1 9 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.577 0.475 19548 2333 1 9 . 1 1 45 45 GLU H H 45 7.878 7.878 8.940 -1.062 19548 2334 1 9 . 1 1 46 46 GLU N N 46 118.207 118.207 117.409 0.798 19548 2335 1 9 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.177 0.074 19548 2336 1 9 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.699 0.006 19548 2337 1 9 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.280 -2.218 19548 2338 1 9 . 1 1 46 46 GLU H H 46 10.784 10.784 8.534 2.250 19548 2339 1 9 . 1 1 47 47 ILE N N 47 122.316 122.316 118.436 3.880 19548 2340 1 9 . 1 1 47 47 ILE HA H 47 3.827 3.827 4.013 -0.186 19548 2341 1 9 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.986 -0.806 19548 2342 1 9 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.425 -3.708 19548 2343 1 9 . 1 1 47 47 ILE H H 47 7.229 7.229 7.789 -0.560 19548 2344 1 9 . 1 1 48 48 TYR N N 48 122.269 122.269 122.980 -0.711 19548 2345 1 9 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.060 -0.415 19548 2346 1 9 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.601 0.471 19548 2347 1 9 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.394 0.655 19548 2348 1 9 . 1 1 48 48 TYR H H 48 8.124 8.124 8.136 -0.012 19548 2349 1 9 . 1 1 49 49 GLN N N 49 115.409 115.409 115.765 -0.356 19548 2350 1 9 . 1 1 49 49 GLN HA H 49 3.836 3.836 4.028 -0.192 19548 2351 1 9 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.941 0.530 19548 2352 1 9 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.561 -0.378 19548 2353 1 9 . 1 1 49 49 GLN H H 49 8.604 8.604 7.835 0.769 19548 2354 1 9 . 1 1 50 50 ARG N N 50 120.065 120.065 116.809 3.256 19548 2355 1 9 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.254 -0.265 19548 2356 1 9 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.967 2.035 19548 2357 1 9 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.363 0.048 19548 2358 1 9 . 1 1 50 50 ARG H H 50 7.165 7.165 7.579 -0.414 19548 2359 1 9 . 1 1 51 51 ILE N N 51 120.716 120.716 118.787 1.929 19548 2360 1 9 . 1 1 51 51 ILE HA H 51 3.617 3.617 3.988 -0.371 19548 2361 1 9 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.885 1.358 19548 2362 1 9 . 1 1 51 51 ILE CB C 51 38.001 38.001 38.745 -0.744 19548 2363 1 9 . 1 1 51 51 ILE H H 51 7.884 7.884 7.329 0.555 19548 2364 1 9 . 1 1 52 52 GLN N N 52 118.921 118.921 119.336 -0.415 19548 2365 1 9 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.004 -0.197 19548 2366 1 9 . 1 1 52 52 GLN CA C 52 57.372 57.372 57.045 0.327 19548 2367 1 9 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.595 0.590 19548 2368 1 9 . 1 1 52 52 GLN H H 52 7.905 7.905 7.447 0.458 19548 2369 1 9 . 1 1 53 53 ALA N N 53 120.638 120.638 120.198 0.440 19548 2370 1 9 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.121 0.048 19548 2371 1 9 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.921 0.172 19548 2372 1 9 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.577 -0.003 19548 2373 1 9 . 1 1 53 53 ALA H H 53 7.601 7.601 7.739 -0.138 19548 2374 1 9 . 1 1 54 54 GLY N N 54 105.799 105.799 103.784 2.015 19548 2375 1 9 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.016 0.501 19548 2376 1 9 . 1 1 54 54 GLY H H 54 7.720 7.720 7.787 -0.067 19548 2377 1 9 . 1 1 55 55 LEU N N 55 120.711 120.711 117.054 3.657 19548 2378 1 9 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.053 -0.731 19548 2379 1 9 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.592 1.664 19548 2380 1 9 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.913 -0.650 19548 2381 1 9 . 1 1 55 55 LEU H H 55 7.687 7.687 7.953 -0.266 19548 2382 1 9 . 1 1 56 56 THR N N 56 113.068 113.068 112.660 0.408 19548 2383 1 9 . 1 1 56 56 THR HA H 56 4.245 4.245 4.409 -0.164 19548 2384 1 9 . 1 1 56 56 THR CA C 56 61.383 61.383 61.863 -0.480 19548 2385 1 9 . 1 1 56 56 THR CB C 56 69.836 69.836 69.397 0.438 19548 2386 1 9 . 1 1 56 56 THR H H 56 7.746 7.746 8.237 -0.491 19548 2387 1 9 . 1 1 57 57 ALA N N 57 127.221 127.221 123.639 3.582 19548 2388 1 9 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.778 -0.287 19548 2389 1 9 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.192 0.348 19548 2390 1 9 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.703 -2.365 19548 2391 1 9 . 1 1 57 57 ALA H H 57 8.065 8.065 7.421 0.644 19548 2392 1 9 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.214 0.101 19548 2393 1 9 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.123 -0.774 19548 2394 1 9 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.216 -0.286 19548 2395 1 10 . 1 1 2 2 LEU N N 2 124.817 124.817 124.848 -0.031 19548 2396 1 10 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.851 -0.370 19548 2397 1 10 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.886 -0.384 19548 2398 1 10 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.812 -0.402 19548 2399 1 10 . 1 1 2 2 LEU H H 2 8.411 8.411 8.373 0.038 19548 2400 1 10 . 1 1 3 3 ILE N N 3 130.687 130.687 123.847 6.840 19548 2401 1 10 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.462 0.517 19548 2402 1 10 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.274 -1.253 19548 2403 1 10 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.943 -1.959 19548 2404 1 10 . 1 1 3 3 ILE H H 3 10.326 10.326 8.397 1.929 19548 2405 1 10 . 1 1 4 4 LEU N N 4 123.391 123.391 123.695 -0.304 19548 2406 1 10 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.781 0.002 19548 2407 1 10 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.840 -1.249 19548 2408 1 10 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.544 2.947 19548 2409 1 10 . 1 1 4 4 LEU H H 4 8.793 8.793 8.033 0.760 19548 2410 1 10 . 1 1 5 5 THR HA H 5 5.491 5.491 4.692 0.799 19548 2411 1 10 . 1 1 5 5 THR CA C 5 61.148 61.148 61.736 -0.588 19548 2412 1 10 . 1 1 5 5 THR CB C 5 69.731 69.731 70.177 -0.446 19548 2413 1 10 . 1 1 6 6 ARG N N 6 125.087 125.087 121.374 3.713 19548 2414 1 10 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.673 0.292 19548 2415 1 10 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.050 0.071 19548 2416 1 10 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.351 5.056 19548 2417 1 10 . 1 1 6 6 ARG H H 6 9.367 9.367 8.410 0.957 19548 2418 1 10 . 1 1 7 7 LYS N N 7 123.260 123.260 121.326 1.934 19548 2419 1 10 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.643 0.455 19548 2420 1 10 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.049 -0.800 19548 2421 1 10 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.150 -0.895 19548 2422 1 10 . 1 1 7 7 LYS H H 7 9.406 9.406 9.134 0.272 19548 2423 1 10 . 1 1 8 8 VAL N N 8 118.507 118.507 119.306 -0.799 19548 2424 1 10 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.919 -0.612 19548 2425 1 10 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.715 2.261 19548 2426 1 10 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.077 1.495 19548 2427 1 10 . 1 1 8 8 VAL H H 8 7.764 7.764 8.420 -0.656 19548 2428 1 10 . 1 1 9 9 GLY N N 9 116.023 116.023 116.795 -0.772 19548 2429 1 10 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.782 -0.207 19548 2430 1 10 . 1 1 9 9 GLY H H 9 9.238 9.238 9.191 0.047 19548 2431 1 10 . 1 1 10 10 GLU N N 10 119.392 119.392 121.264 -1.872 19548 2432 1 10 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.563 0.329 19548 2433 1 10 . 1 1 10 10 GLU CA C 10 55.758 55.758 56.012 -0.254 19548 2434 1 10 . 1 1 10 10 GLU CB C 10 32.841 32.841 31.271 1.570 19548 2435 1 10 . 1 1 10 10 GLU H H 10 8.401 8.401 8.217 0.184 19548 2436 1 10 . 1 1 11 11 SER N N 11 112.280 112.280 113.070 -0.790 19548 2437 1 10 . 1 1 11 11 SER HA H 11 5.870 5.870 5.324 0.546 19548 2438 1 10 . 1 1 11 11 SER CA C 11 57.964 57.964 56.886 1.078 19548 2439 1 10 . 1 1 11 11 SER CB C 11 66.971 66.971 66.184 0.787 19548 2440 1 10 . 1 1 11 11 SER H H 11 8.618 8.618 8.299 0.319 19548 2441 1 10 . 1 1 12 12 ILE N N 12 124.303 124.303 118.524 5.779 19548 2442 1 10 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.546 -0.192 19548 2443 1 10 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.987 -0.006 19548 2444 1 10 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.526 0.229 19548 2445 1 10 . 1 1 12 12 ILE H H 12 9.328 9.328 8.813 0.515 19548 2446 1 10 . 1 1 13 13 ASN N N 13 126.189 126.189 119.678 6.511 19548 2447 1 10 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.309 -0.292 19548 2448 1 10 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.208 1.191 19548 2449 1 10 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.936 -0.494 19548 2450 1 10 . 1 1 13 13 ASN H H 13 9.395 9.395 8.386 1.009 19548 2451 1 10 . 1 1 14 14 ILE N N 14 123.998 123.998 120.357 3.641 19548 2452 1 10 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.396 0.049 19548 2453 1 10 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.807 -0.268 19548 2454 1 10 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.330 -2.821 19548 2455 1 10 . 1 1 14 14 ILE H H 14 8.455 8.455 8.926 -0.471 19548 2456 1 10 . 1 1 15 15 GLY N N 15 115.223 115.223 114.407 0.816 19548 2457 1 10 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.483 -0.534 19548 2458 1 10 . 1 1 15 15 GLY H H 15 9.039 9.039 8.860 0.179 19548 2459 1 10 . 1 1 16 16 ASP N N 16 120.438 120.438 116.496 3.942 19548 2460 1 10 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.276 0.636 19548 2461 1 10 . 1 1 16 16 ASP CA C 16 55.306 55.306 55.633 -0.327 19548 2462 1 10 . 1 1 16 16 ASP CB C 16 42.366 42.366 40.334 2.032 19548 2463 1 10 . 1 1 16 16 ASP H H 16 8.714 8.714 8.182 0.532 19548 2464 1 10 . 1 1 17 17 ASP N N 17 115.581 115.581 114.952 0.629 19548 2465 1 10 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.757 -0.029 19548 2466 1 10 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.233 -0.054 19548 2467 1 10 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.520 -0.987 19548 2468 1 10 . 1 1 17 17 ASP H H 17 8.158 8.158 7.734 0.424 19548 2469 1 10 . 1 1 18 18 ILE N N 18 118.645 118.645 119.803 -1.158 19548 2470 1 10 . 1 1 18 18 ILE HA H 18 5.188 5.188 4.991 0.197 19548 2471 1 10 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.266 -0.180 19548 2472 1 10 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.403 -2.707 19548 2473 1 10 . 1 1 18 18 ILE H H 18 7.180 7.180 8.091 -0.911 19548 2474 1 10 . 1 1 19 19 THR N N 19 122.845 122.845 121.264 1.581 19548 2475 1 10 . 1 1 19 19 THR HA H 19 5.117 5.117 5.003 0.114 19548 2476 1 10 . 1 1 19 19 THR CA C 19 61.009 61.009 61.552 -0.543 19548 2477 1 10 . 1 1 19 19 THR CB C 19 71.661 71.661 72.057 -0.396 19548 2478 1 10 . 1 1 19 19 THR H H 19 8.970 8.970 8.667 0.303 19548 2479 1 10 . 1 1 20 20 ILE N N 20 123.857 123.857 122.399 1.458 19548 2480 1 10 . 1 1 20 20 ILE HA H 20 4.892 4.892 5.039 -0.147 19548 2481 1 10 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.237 -0.286 19548 2482 1 10 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.091 -1.753 19548 2483 1 10 . 1 1 20 20 ILE H H 20 8.954 8.954 8.988 -0.034 19548 2484 1 10 . 1 1 21 21 THR N N 21 123.681 123.681 120.460 3.221 19548 2485 1 10 . 1 1 21 21 THR HA H 21 4.840 4.840 4.878 -0.038 19548 2486 1 10 . 1 1 21 21 THR CA C 21 61.503 61.503 61.582 -0.079 19548 2487 1 10 . 1 1 21 21 THR CB C 21 71.965 71.965 71.569 0.396 19548 2488 1 10 . 1 1 21 21 THR H H 21 9.428 9.428 8.891 0.537 19548 2489 1 10 . 1 1 22 22 ILE N N 22 125.758 125.758 129.019 -3.261 19548 2490 1 10 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.192 -0.068 19548 2491 1 10 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.492 -0.234 19548 2492 1 10 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.537 -3.613 19548 2493 1 10 . 1 1 22 22 ILE H H 22 8.131 8.131 8.397 -0.266 19548 2494 1 10 . 1 1 23 23 LEU N N 23 129.382 129.382 129.909 -0.527 19548 2495 1 10 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.187 0.332 19548 2496 1 10 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.757 -0.183 19548 2497 1 10 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.922 0.464 19548 2498 1 10 . 1 1 23 23 LEU H H 23 8.893 8.893 8.195 0.698 19548 2499 1 10 . 1 1 24 24 GLY N N 24 104.715 104.715 104.445 0.270 19548 2500 1 10 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.888 1.097 19548 2501 1 10 . 1 1 24 24 GLY H H 24 7.559 7.559 7.586 -0.027 19548 2502 1 10 . 1 1 25 25 VAL N N 25 120.337 120.337 115.734 4.603 19548 2503 1 10 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.964 -0.317 19548 2504 1 10 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.581 1.896 19548 2505 1 10 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.353 0.380 19548 2506 1 10 . 1 1 25 25 VAL H H 25 8.431 8.431 8.289 0.142 19548 2507 1 10 . 1 1 26 26 SER N N 26 121.660 121.660 118.213 3.447 19548 2508 1 10 . 1 1 26 26 SER HA H 26 4.658 4.658 4.720 -0.062 19548 2509 1 10 . 1 1 26 26 SER CA C 26 56.395 56.395 58.300 -1.905 19548 2510 1 10 . 1 1 26 26 SER CB C 26 63.731 63.731 64.365 -0.634 19548 2511 1 10 . 1 1 26 26 SER H H 26 8.614 8.614 8.834 -0.220 19548 2512 1 10 . 1 1 27 27 GLY N N 27 118.321 118.321 113.193 5.128 19548 2513 1 10 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.462 2.000 19548 2514 1 10 . 1 1 27 27 GLY H H 27 8.916 8.916 8.196 0.720 19548 2515 1 10 . 1 1 28 28 GLN N N 28 124.491 124.491 122.306 2.185 19548 2516 1 10 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.228 0.090 19548 2517 1 10 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.291 -1.186 19548 2518 1 10 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.753 0.985 19548 2519 1 10 . 1 1 28 28 GLN H H 28 8.814 8.814 8.596 0.218 19548 2520 1 10 . 1 1 29 29 GLN N N 29 117.410 117.410 119.805 -2.395 19548 2521 1 10 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.359 0.304 19548 2522 1 10 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.983 -0.599 19548 2523 1 10 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.144 1.226 19548 2524 1 10 . 1 1 29 29 GLN H H 29 8.310 8.310 7.542 0.768 19548 2525 1 10 . 1 1 30 30 VAL N N 30 123.844 123.844 123.281 0.563 19548 2526 1 10 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.444 0.106 19548 2527 1 10 . 1 1 30 30 VAL CA C 30 60.630 60.630 60.942 -0.312 19548 2528 1 10 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.212 0.334 19548 2529 1 10 . 1 1 30 30 VAL H H 30 9.146 9.146 8.336 0.810 19548 2530 1 10 . 1 1 31 31 ARG N N 31 128.326 128.326 128.664 -0.338 19548 2531 1 10 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.602 0.049 19548 2532 1 10 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.403 0.352 19548 2533 1 10 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.851 -0.004 19548 2534 1 10 . 1 1 31 31 ARG H H 31 8.742 8.742 8.359 0.383 19548 2535 1 10 . 1 1 32 32 ILE N N 32 127.673 127.673 123.187 4.486 19548 2536 1 10 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.848 -0.215 19548 2537 1 10 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.396 0.390 19548 2538 1 10 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.126 -1.422 19548 2539 1 10 . 1 1 32 32 ILE H H 32 9.018 9.018 8.393 0.625 19548 2540 1 10 . 1 1 33 33 GLY N N 33 112.593 112.593 111.728 0.865 19548 2541 1 10 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.382 1.330 19548 2542 1 10 . 1 1 33 33 GLY H H 33 9.193 9.193 8.873 0.320 19548 2543 1 10 . 1 1 34 34 ILE N N 34 125.160 125.160 121.221 3.939 19548 2544 1 10 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.841 -0.038 19548 2545 1 10 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.186 0.712 19548 2546 1 10 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.563 -1.458 19548 2547 1 10 . 1 1 34 34 ILE H H 34 9.635 9.635 8.348 1.287 19548 2548 1 10 . 1 1 35 35 ASN N N 35 129.265 129.265 124.120 5.145 19548 2549 1 10 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.939 0.151 19548 2550 1 10 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.894 -0.783 19548 2551 1 10 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.751 -0.575 19548 2552 1 10 . 1 1 35 35 ASN H H 35 9.012 9.012 8.847 0.165 19548 2553 1 10 . 1 1 36 36 ALA N N 36 125.567 125.567 127.766 -2.199 19548 2554 1 10 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.161 -0.101 19548 2555 1 10 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.539 -0.210 19548 2556 1 10 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.940 -0.957 19548 2557 1 10 . 1 1 36 36 ALA H H 36 8.239 8.239 8.134 0.105 19548 2558 1 10 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.608 -0.199 19548 2559 1 10 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.256 0.645 19548 2560 1 10 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.283 0.116 19548 2561 1 10 . 1 1 38 38 LYS N N 38 121.055 121.055 121.510 -0.455 19548 2562 1 10 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.238 -0.467 19548 2563 1 10 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.743 1.094 19548 2564 1 10 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.877 -0.025 19548 2565 1 10 . 1 1 38 38 LYS H H 38 8.559 8.559 8.575 -0.016 19548 2566 1 10 . 1 1 39 39 ASP N N 39 113.847 113.847 119.023 -5.176 19548 2567 1 10 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.484 -0.143 19548 2568 1 10 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.257 -1.226 19548 2569 1 10 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.993 -1.189 19548 2570 1 10 . 1 1 39 39 ASP H H 39 8.139 8.139 8.392 -0.253 19548 2571 1 10 . 1 1 40 40 VAL N N 40 122.630 122.630 114.783 7.847 19548 2572 1 10 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.493 -0.542 19548 2573 1 10 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.762 2.156 19548 2574 1 10 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.162 -3.281 19548 2575 1 10 . 1 1 40 40 VAL H H 40 8.009 8.009 7.501 0.508 19548 2576 1 10 . 1 1 41 41 ALA N N 41 133.597 133.597 124.214 9.383 19548 2577 1 10 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.885 -0.438 19548 2578 1 10 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.366 0.883 19548 2579 1 10 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.748 -1.661 19548 2580 1 10 . 1 1 41 41 ALA H H 41 8.876 8.876 8.186 0.690 19548 2581 1 10 . 1 1 42 42 VAL N N 42 125.047 125.047 117.287 7.760 19548 2582 1 10 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.285 0.119 19548 2583 1 10 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.564 -0.977 19548 2584 1 10 . 1 1 42 42 VAL CB C 42 33.644 33.644 32.660 0.984 19548 2585 1 10 . 1 1 42 42 VAL H H 42 7.805 7.805 7.687 0.118 19548 2586 1 10 . 1 1 43 43 HIS N N 43 118.998 118.998 122.968 -3.970 19548 2587 1 10 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.759 0.722 19548 2588 1 10 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.096 -1.126 19548 2589 1 10 . 1 1 43 43 HIS CB C 43 37.457 37.457 31.785 5.672 19548 2590 1 10 . 1 1 43 43 HIS H H 43 8.657 8.657 8.134 0.523 19548 2591 1 10 . 1 1 44 44 ARG N N 44 122.532 122.532 121.418 1.114 19548 2592 1 10 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.253 -0.324 19548 2593 1 10 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.183 2.218 19548 2594 1 10 . 1 1 44 44 ARG H H 44 8.949 8.949 8.721 0.228 19548 2595 1 10 . 1 1 45 45 GLU N N 45 126.110 126.110 122.862 3.248 19548 2596 1 10 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.008 0.343 19548 2597 1 10 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.821 -0.129 19548 2598 1 10 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.797 0.255 19548 2599 1 10 . 1 1 45 45 GLU H H 45 7.878 7.878 8.900 -1.022 19548 2600 1 10 . 1 1 46 46 GLU N N 46 118.207 118.207 115.790 2.417 19548 2601 1 10 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.217 0.034 19548 2602 1 10 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.453 0.253 19548 2603 1 10 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.118 -2.056 19548 2604 1 10 . 1 1 46 46 GLU H H 46 10.784 10.784 8.721 2.063 19548 2605 1 10 . 1 1 47 47 ILE N N 47 122.316 122.316 118.882 3.434 19548 2606 1 10 . 1 1 47 47 ILE HA H 47 3.827 3.827 4.034 -0.207 19548 2607 1 10 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.030 0.150 19548 2608 1 10 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.541 -2.824 19548 2609 1 10 . 1 1 47 47 ILE H H 47 7.229 7.229 7.542 -0.313 19548 2610 1 10 . 1 1 48 48 TYR N N 48 122.269 122.269 122.929 -0.660 19548 2611 1 10 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.023 -0.378 19548 2612 1 10 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.730 0.342 19548 2613 1 10 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.166 0.883 19548 2614 1 10 . 1 1 48 48 TYR H H 48 8.124 8.124 8.528 -0.404 19548 2615 1 10 . 1 1 49 49 GLN N N 49 115.409 115.409 116.605 -1.196 19548 2616 1 10 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.932 -0.096 19548 2617 1 10 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.937 0.534 19548 2618 1 10 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.364 -0.181 19548 2619 1 10 . 1 1 49 49 GLN H H 49 8.604 8.604 7.975 0.629 19548 2620 1 10 . 1 1 50 50 ARG N N 50 120.065 120.065 117.256 2.809 19548 2621 1 10 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.209 -0.220 19548 2622 1 10 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.380 1.622 19548 2623 1 10 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.223 0.188 19548 2624 1 10 . 1 1 50 50 ARG H H 50 7.165 7.165 7.551 -0.386 19548 2625 1 10 . 1 1 51 51 ILE N N 51 120.716 120.716 119.657 1.059 19548 2626 1 10 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.042 -0.425 19548 2627 1 10 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.733 1.510 19548 2628 1 10 . 1 1 51 51 ILE CB C 51 38.001 38.001 38.819 -0.818 19548 2629 1 10 . 1 1 51 51 ILE H H 51 7.884 7.884 7.727 0.157 19548 2630 1 10 . 1 1 52 52 GLN N N 52 118.921 118.921 118.747 0.174 19548 2631 1 10 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.976 -0.169 19548 2632 1 10 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.407 0.965 19548 2633 1 10 . 1 1 52 52 GLN CB C 52 28.185 28.185 26.969 1.216 19548 2634 1 10 . 1 1 52 52 GLN H H 52 7.905 7.905 7.903 0.002 19548 2635 1 10 . 1 1 53 53 ALA N N 53 120.638 120.638 120.070 0.568 19548 2636 1 10 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.178 -0.009 19548 2637 1 10 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.681 0.412 19548 2638 1 10 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.709 -0.135 19548 2639 1 10 . 1 1 53 53 ALA H H 53 7.601 7.601 7.698 -0.097 19548 2640 1 10 . 1 1 54 54 GLY N N 54 105.799 105.799 103.756 2.043 19548 2641 1 10 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.910 0.607 19548 2642 1 10 . 1 1 54 54 GLY H H 54 7.720 7.720 7.619 0.101 19548 2643 1 10 . 1 1 55 55 LEU N N 55 120.711 120.711 120.948 -0.237 19548 2644 1 10 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.197 0.125 19548 2645 1 10 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.931 -0.675 19548 2646 1 10 . 1 1 55 55 LEU CB C 55 42.263 42.263 41.510 0.754 19548 2647 1 10 . 1 1 55 55 LEU H H 55 7.687 7.687 8.094 -0.407 19548 2648 1 10 . 1 1 56 56 THR N N 56 113.068 113.068 109.776 3.292 19548 2649 1 10 . 1 1 56 56 THR HA H 56 4.245 4.245 4.156 0.089 19548 2650 1 10 . 1 1 56 56 THR CA C 56 61.383 61.383 63.455 -2.072 19548 2651 1 10 . 1 1 56 56 THR CB C 56 69.836 69.836 69.111 0.725 19548 2652 1 10 . 1 1 56 56 THR H H 56 7.746 7.746 7.882 -0.136 19548 2653 1 10 . 1 1 57 57 ALA N N 57 127.221 127.221 123.744 3.477 19548 2654 1 10 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.650 -0.159 19548 2655 1 10 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.788 -0.249 19548 2656 1 10 . 1 1 57 57 ALA CB C 57 18.338 18.338 18.987 -0.649 19548 2657 1 10 . 1 1 57 57 ALA H H 57 8.065 8.065 7.380 0.685 19548 2658 1 10 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.229 0.086 19548 2659 1 10 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.267 -0.918 19548 2660 1 10 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.297 -0.367 19548 2661 1 11 . 1 1 2 2 LEU N N 2 124.817 124.817 126.678 -1.861 19548 2662 1 11 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.836 -0.355 19548 2663 1 11 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.155 -0.653 19548 2664 1 11 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.638 -0.228 19548 2665 1 11 . 1 1 2 2 LEU H H 2 8.411 8.411 8.547 -0.136 19548 2666 1 11 . 1 1 3 3 ILE N N 3 130.687 130.687 124.480 6.207 19548 2667 1 11 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.327 0.652 19548 2668 1 11 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.107 -1.086 19548 2669 1 11 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.857 -0.873 19548 2670 1 11 . 1 1 3 3 ILE H H 3 10.326 10.326 8.408 1.918 19548 2671 1 11 . 1 1 4 4 LEU N N 4 123.391 123.391 124.876 -1.485 19548 2672 1 11 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.781 0.002 19548 2673 1 11 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.880 -1.289 19548 2674 1 11 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.626 2.865 19548 2675 1 11 . 1 1 4 4 LEU H H 4 8.793 8.793 8.188 0.605 19548 2676 1 11 . 1 1 5 5 THR HA H 5 5.491 5.491 4.714 0.777 19548 2677 1 11 . 1 1 5 5 THR CA C 5 61.148 61.148 61.881 -0.733 19548 2678 1 11 . 1 1 5 5 THR CB C 5 69.731 69.731 70.146 -0.415 19548 2679 1 11 . 1 1 6 6 ARG N N 6 125.087 125.087 121.136 3.951 19548 2680 1 11 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.612 0.353 19548 2681 1 11 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.116 0.005 19548 2682 1 11 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.552 4.855 19548 2683 1 11 . 1 1 6 6 ARG H H 6 9.367 9.367 8.355 1.012 19548 2684 1 11 . 1 1 7 7 LYS N N 7 123.260 123.260 120.766 2.494 19548 2685 1 11 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.656 0.442 19548 2686 1 11 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.073 -0.824 19548 2687 1 11 . 1 1 7 7 LYS CB C 7 34.255 34.255 35.383 -1.128 19548 2688 1 11 . 1 1 7 7 LYS H H 7 9.406 9.406 9.067 0.339 19548 2689 1 11 . 1 1 8 8 VAL N N 8 118.507 118.507 118.413 0.094 19548 2690 1 11 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.870 -0.563 19548 2691 1 11 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.235 2.742 19548 2692 1 11 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.249 0.323 19548 2693 1 11 . 1 1 8 8 VAL H H 8 7.764 7.764 8.285 -0.521 19548 2694 1 11 . 1 1 9 9 GLY N N 9 116.023 116.023 114.463 1.560 19548 2695 1 11 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.891 -0.316 19548 2696 1 11 . 1 1 9 9 GLY H H 9 9.238 9.238 9.161 0.078 19548 2697 1 11 . 1 1 10 10 GLU N N 10 119.392 119.392 119.647 -0.255 19548 2698 1 11 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.790 0.102 19548 2699 1 11 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.301 1.457 19548 2700 1 11 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.429 0.411 19548 2701 1 11 . 1 1 10 10 GLU H H 10 8.401 8.401 7.893 0.508 19548 2702 1 11 . 1 1 11 11 SER N N 11 112.280 112.280 113.566 -1.286 19548 2703 1 11 . 1 1 11 11 SER HA H 11 5.870 5.870 5.352 0.518 19548 2704 1 11 . 1 1 11 11 SER CA C 11 57.964 57.964 57.215 0.749 19548 2705 1 11 . 1 1 11 11 SER CB C 11 66.971 66.971 66.239 0.732 19548 2706 1 11 . 1 1 11 11 SER H H 11 8.618 8.618 8.385 0.233 19548 2707 1 11 . 1 1 12 12 ILE N N 12 124.303 124.303 119.830 4.473 19548 2708 1 11 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.529 -0.175 19548 2709 1 11 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.173 -0.192 19548 2710 1 11 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.737 0.018 19548 2711 1 11 . 1 1 12 12 ILE H H 12 9.328 9.328 8.971 0.357 19548 2712 1 11 . 1 1 13 13 ASN N N 13 126.189 126.189 119.985 6.204 19548 2713 1 11 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.260 -0.243 19548 2714 1 11 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.619 0.780 19548 2715 1 11 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.944 -0.502 19548 2716 1 11 . 1 1 13 13 ASN H H 13 9.395 9.395 8.478 0.917 19548 2717 1 11 . 1 1 14 14 ILE N N 14 123.998 123.998 121.271 2.727 19548 2718 1 11 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.469 -0.024 19548 2719 1 11 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.667 -0.128 19548 2720 1 11 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.304 -2.795 19548 2721 1 11 . 1 1 14 14 ILE H H 14 8.455 8.455 8.533 -0.078 19548 2722 1 11 . 1 1 15 15 GLY N N 15 115.223 115.223 113.493 1.730 19548 2723 1 11 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.573 -0.625 19548 2724 1 11 . 1 1 15 15 GLY H H 15 9.039 9.039 8.606 0.433 19548 2725 1 11 . 1 1 16 16 ASP N N 16 120.438 120.438 121.967 -1.529 19548 2726 1 11 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.730 0.182 19548 2727 1 11 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.455 0.851 19548 2728 1 11 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.415 0.951 19548 2729 1 11 . 1 1 16 16 ASP H H 16 8.714 8.714 8.237 0.477 19548 2730 1 11 . 1 1 17 17 ASP N N 17 115.581 115.581 119.124 -3.543 19548 2731 1 11 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.834 -0.106 19548 2732 1 11 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.471 -0.292 19548 2733 1 11 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.535 -1.002 19548 2734 1 11 . 1 1 17 17 ASP H H 17 8.158 8.158 7.839 0.319 19548 2735 1 11 . 1 1 18 18 ILE N N 18 118.645 118.645 120.086 -1.441 19548 2736 1 11 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.049 0.139 19548 2737 1 11 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.161 -0.076 19548 2738 1 11 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.236 -2.540 19548 2739 1 11 . 1 1 18 18 ILE H H 18 7.180 7.180 7.726 -0.546 19548 2740 1 11 . 1 1 19 19 THR N N 19 122.845 122.845 121.105 1.740 19548 2741 1 11 . 1 1 19 19 THR HA H 19 5.117 5.117 5.012 0.105 19548 2742 1 11 . 1 1 19 19 THR CA C 19 61.009 61.009 61.425 -0.416 19548 2743 1 11 . 1 1 19 19 THR CB C 19 71.661 71.661 72.340 -0.679 19548 2744 1 11 . 1 1 19 19 THR H H 19 8.970 8.970 8.594 0.376 19548 2745 1 11 . 1 1 20 20 ILE N N 20 123.857 123.857 122.407 1.450 19548 2746 1 11 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.950 -0.058 19548 2747 1 11 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.182 -0.231 19548 2748 1 11 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.263 -1.925 19548 2749 1 11 . 1 1 20 20 ILE H H 20 8.954 8.954 8.989 -0.035 19548 2750 1 11 . 1 1 21 21 THR N N 21 123.681 123.681 120.287 3.394 19548 2751 1 11 . 1 1 21 21 THR HA H 21 4.840 4.840 4.917 -0.077 19548 2752 1 11 . 1 1 21 21 THR CA C 21 61.503 61.503 61.652 -0.149 19548 2753 1 11 . 1 1 21 21 THR CB C 21 71.965 71.965 71.698 0.267 19548 2754 1 11 . 1 1 21 21 THR H H 21 9.428 9.428 8.877 0.551 19548 2755 1 11 . 1 1 22 22 ILE N N 22 125.758 125.758 129.085 -3.327 19548 2756 1 11 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.267 -0.143 19548 2757 1 11 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.154 0.104 19548 2758 1 11 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.597 -3.673 19548 2759 1 11 . 1 1 22 22 ILE H H 22 8.131 8.131 8.422 -0.291 19548 2760 1 11 . 1 1 23 23 LEU N N 23 129.382 129.382 129.922 -0.540 19548 2761 1 11 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.192 0.327 19548 2762 1 11 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.787 -0.213 19548 2763 1 11 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.892 0.494 19548 2764 1 11 . 1 1 23 23 LEU H H 23 8.893 8.893 8.216 0.677 19548 2765 1 11 . 1 1 24 24 GLY N N 24 104.715 104.715 104.792 -0.077 19548 2766 1 11 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.939 1.045 19548 2767 1 11 . 1 1 24 24 GLY H H 24 7.559 7.559 7.541 0.018 19548 2768 1 11 . 1 1 25 25 VAL N N 25 120.337 120.337 115.347 4.990 19548 2769 1 11 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.985 -0.338 19548 2770 1 11 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.959 2.518 19548 2771 1 11 . 1 1 25 25 VAL CB C 25 35.733 35.733 36.099 -0.366 19548 2772 1 11 . 1 1 25 25 VAL H H 25 8.431 8.431 8.275 0.156 19548 2773 1 11 . 1 1 26 26 SER N N 26 121.660 121.660 117.729 3.931 19548 2774 1 11 . 1 1 26 26 SER HA H 26 4.658 4.658 4.602 0.056 19548 2775 1 11 . 1 1 26 26 SER CA C 26 56.395 56.395 58.257 -1.862 19548 2776 1 11 . 1 1 26 26 SER CB C 26 63.731 63.731 64.099 -0.368 19548 2777 1 11 . 1 1 26 26 SER H H 26 8.614 8.614 8.562 0.052 19548 2778 1 11 . 1 1 27 27 GLY N N 27 118.321 118.321 114.944 3.377 19548 2779 1 11 . 1 1 27 27 GLY CA C 27 47.462 47.462 46.129 1.333 19548 2780 1 11 . 1 1 27 27 GLY H H 27 8.916 8.916 8.534 0.382 19548 2781 1 11 . 1 1 28 28 GLN N N 28 124.491 124.491 123.492 0.999 19548 2782 1 11 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.516 -0.198 19548 2783 1 11 . 1 1 28 28 GLN CA C 28 55.105 55.105 55.380 -0.275 19548 2784 1 11 . 1 1 28 28 GLN CB C 28 29.738 29.738 29.210 0.528 19548 2785 1 11 . 1 1 28 28 GLN H H 28 8.814 8.814 8.537 0.277 19548 2786 1 11 . 1 1 29 29 GLN N N 29 117.410 117.410 120.160 -2.750 19548 2787 1 11 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.411 0.252 19548 2788 1 11 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.774 -0.390 19548 2789 1 11 . 1 1 29 29 GLN CB C 29 31.370 31.370 29.881 1.489 19548 2790 1 11 . 1 1 29 29 GLN H H 29 8.310 8.310 7.575 0.735 19548 2791 1 11 . 1 1 30 30 VAL N N 30 123.844 123.844 121.692 2.152 19548 2792 1 11 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.575 -0.025 19548 2793 1 11 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.319 -0.689 19548 2794 1 11 . 1 1 30 30 VAL CB C 30 34.546 34.546 33.116 1.430 19548 2795 1 11 . 1 1 30 30 VAL H H 30 9.146 9.146 8.394 0.752 19548 2796 1 11 . 1 1 31 31 ARG N N 31 128.326 128.326 128.332 -0.006 19548 2797 1 11 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.473 0.178 19548 2798 1 11 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.892 -0.137 19548 2799 1 11 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.470 0.377 19548 2800 1 11 . 1 1 31 31 ARG H H 31 8.742 8.742 8.239 0.503 19548 2801 1 11 . 1 1 32 32 ILE N N 32 127.673 127.673 122.619 5.054 19548 2802 1 11 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.907 -0.274 19548 2803 1 11 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.426 0.360 19548 2804 1 11 . 1 1 32 32 ILE CB C 32 40.704 40.704 41.939 -1.235 19548 2805 1 11 . 1 1 32 32 ILE H H 32 9.018 9.018 8.328 0.690 19548 2806 1 11 . 1 1 33 33 GLY N N 33 112.593 112.593 112.328 0.265 19548 2807 1 11 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.658 1.054 19548 2808 1 11 . 1 1 33 33 GLY H H 33 9.193 9.193 9.019 0.174 19548 2809 1 11 . 1 1 34 34 ILE N N 34 125.160 125.160 120.935 4.225 19548 2810 1 11 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.774 0.029 19548 2811 1 11 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.243 0.655 19548 2812 1 11 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.498 -1.393 19548 2813 1 11 . 1 1 34 34 ILE H H 34 9.635 9.635 8.180 1.455 19548 2814 1 11 . 1 1 35 35 ASN N N 35 129.265 129.265 124.089 5.176 19548 2815 1 11 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.956 0.134 19548 2816 1 11 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.988 -0.877 19548 2817 1 11 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.816 -0.640 19548 2818 1 11 . 1 1 35 35 ASN H H 35 9.012 9.012 8.734 0.278 19548 2819 1 11 . 1 1 36 36 ALA N N 36 125.567 125.567 127.522 -1.955 19548 2820 1 11 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.138 -0.078 19548 2821 1 11 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.711 -0.382 19548 2822 1 11 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.973 -0.990 19548 2823 1 11 . 1 1 36 36 ALA H H 36 8.239 8.239 8.110 0.129 19548 2824 1 11 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.616 -0.207 19548 2825 1 11 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.219 0.682 19548 2826 1 11 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.246 0.153 19548 2827 1 11 . 1 1 38 38 LYS N N 38 121.055 121.055 121.496 -0.441 19548 2828 1 11 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.115 -0.344 19548 2829 1 11 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.806 1.031 19548 2830 1 11 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.803 0.049 19548 2831 1 11 . 1 1 38 38 LYS H H 38 8.559 8.559 8.579 -0.020 19548 2832 1 11 . 1 1 39 39 ASP N N 39 113.847 113.847 118.802 -4.955 19548 2833 1 11 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.474 -0.133 19548 2834 1 11 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.182 -1.151 19548 2835 1 11 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.935 -1.131 19548 2836 1 11 . 1 1 39 39 ASP H H 39 8.139 8.139 8.395 -0.256 19548 2837 1 11 . 1 1 40 40 VAL N N 40 122.630 122.630 114.549 8.081 19548 2838 1 11 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.475 -0.524 19548 2839 1 11 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.724 2.194 19548 2840 1 11 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.236 -3.355 19548 2841 1 11 . 1 1 40 40 VAL H H 40 8.009 8.009 7.489 0.520 19548 2842 1 11 . 1 1 41 41 ALA N N 41 133.597 133.597 124.608 8.989 19548 2843 1 11 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.896 -0.449 19548 2844 1 11 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.363 0.886 19548 2845 1 11 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.627 -1.540 19548 2846 1 11 . 1 1 41 41 ALA H H 41 8.876 8.876 8.186 0.690 19548 2847 1 11 . 1 1 42 42 VAL N N 42 125.047 125.047 117.781 7.266 19548 2848 1 11 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.272 0.132 19548 2849 1 11 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.631 -1.044 19548 2850 1 11 . 1 1 42 42 VAL CB C 42 33.644 33.644 32.494 1.150 19548 2851 1 11 . 1 1 42 42 VAL H H 42 7.805 7.805 7.686 0.119 19548 2852 1 11 . 1 1 43 43 HIS N N 43 118.998 118.998 123.767 -4.769 19548 2853 1 11 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.744 0.737 19548 2854 1 11 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.384 -1.414 19548 2855 1 11 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.021 5.436 19548 2856 1 11 . 1 1 43 43 HIS H H 43 8.657 8.657 8.196 0.461 19548 2857 1 11 . 1 1 44 44 ARG N N 44 122.532 122.532 122.010 0.522 19548 2858 1 11 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.266 -0.337 19548 2859 1 11 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.249 2.151 19548 2860 1 11 . 1 1 44 44 ARG H H 44 8.949 8.949 8.649 0.300 19548 2861 1 11 . 1 1 45 45 GLU N N 45 126.110 126.110 124.021 2.089 19548 2862 1 11 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.003 0.348 19548 2863 1 11 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.704 -0.012 19548 2864 1 11 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.629 0.423 19548 2865 1 11 . 1 1 45 45 GLU H H 45 7.878 7.878 8.978 -1.100 19548 2866 1 11 . 1 1 46 46 GLU N N 46 118.207 118.207 118.352 -0.145 19548 2867 1 11 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.171 0.080 19548 2868 1 11 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.161 -0.456 19548 2869 1 11 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.397 -2.335 19548 2870 1 11 . 1 1 46 46 GLU H H 46 10.784 10.784 8.669 2.115 19548 2871 1 11 . 1 1 47 47 ILE N N 47 122.316 122.316 119.095 3.221 19548 2872 1 11 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.884 -0.057 19548 2873 1 11 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.158 -0.978 19548 2874 1 11 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.694 -1.977 19548 2875 1 11 . 1 1 47 47 ILE H H 47 7.229 7.229 7.644 -0.415 19548 2876 1 11 . 1 1 48 48 TYR N N 48 122.269 122.269 121.992 0.277 19548 2877 1 11 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.047 -0.402 19548 2878 1 11 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.841 0.231 19548 2879 1 11 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.156 0.893 19548 2880 1 11 . 1 1 48 48 TYR H H 48 8.124 8.124 8.359 -0.235 19548 2881 1 11 . 1 1 49 49 GLN N N 49 115.409 115.409 115.725 -0.316 19548 2882 1 11 . 1 1 49 49 GLN HA H 49 3.836 3.836 4.030 -0.194 19548 2883 1 11 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.026 0.445 19548 2884 1 11 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.488 -0.305 19548 2885 1 11 . 1 1 49 49 GLN H H 49 8.604 8.604 7.792 0.812 19548 2886 1 11 . 1 1 50 50 ARG N N 50 120.065 120.065 116.657 3.408 19548 2887 1 11 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.248 -0.259 19548 2888 1 11 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.882 2.120 19548 2889 1 11 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.324 0.087 19548 2890 1 11 . 1 1 50 50 ARG H H 50 7.165 7.165 7.510 -0.345 19548 2891 1 11 . 1 1 51 51 ILE N N 51 120.716 120.716 118.118 2.598 19548 2892 1 11 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.063 -0.446 19548 2893 1 11 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.373 1.870 19548 2894 1 11 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.072 -1.071 19548 2895 1 11 . 1 1 51 51 ILE H H 51 7.884 7.884 7.511 0.373 19548 2896 1 11 . 1 1 52 52 GLN N N 52 118.921 118.921 118.907 0.014 19548 2897 1 11 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.946 -0.139 19548 2898 1 11 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.417 0.955 19548 2899 1 11 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.322 0.863 19548 2900 1 11 . 1 1 52 52 GLN H H 52 7.905 7.905 7.895 0.010 19548 2901 1 11 . 1 1 53 53 ALA N N 53 120.638 120.638 120.242 0.396 19548 2902 1 11 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.181 -0.012 19548 2903 1 11 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.745 0.348 19548 2904 1 11 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.801 -0.227 19548 2905 1 11 . 1 1 53 53 ALA H H 53 7.601 7.601 7.695 -0.094 19548 2906 1 11 . 1 1 54 54 GLY N N 54 105.799 105.799 104.422 1.377 19548 2907 1 11 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.971 0.546 19548 2908 1 11 . 1 1 54 54 GLY H H 54 7.720 7.720 7.813 -0.093 19548 2909 1 11 . 1 1 55 55 LEU N N 55 120.711 120.711 117.286 3.425 19548 2910 1 11 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.054 -0.732 19548 2911 1 11 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.700 1.556 19548 2912 1 11 . 1 1 55 55 LEU CB C 55 42.263 42.263 43.218 -0.955 19548 2913 1 11 . 1 1 55 55 LEU H H 55 7.687 7.687 8.012 -0.325 19548 2914 1 11 . 1 1 56 56 THR N N 56 113.068 113.068 107.266 5.802 19548 2915 1 11 . 1 1 56 56 THR HA H 56 4.245 4.245 4.449 -0.204 19548 2916 1 11 . 1 1 56 56 THR CA C 56 61.383 61.383 61.615 -0.232 19548 2917 1 11 . 1 1 56 56 THR CB C 56 69.836 69.836 69.662 0.174 19548 2918 1 11 . 1 1 56 56 THR H H 56 7.746 7.746 8.244 -0.498 19548 2919 1 11 . 1 1 57 57 ALA N N 57 127.221 127.221 123.964 3.257 19548 2920 1 11 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.822 -0.331 19548 2921 1 11 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.536 0.004 19548 2922 1 11 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.827 -2.489 19548 2923 1 11 . 1 1 57 57 ALA H H 57 8.065 8.065 7.569 0.496 19548 2924 1 11 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.211 0.104 19548 2925 1 11 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.080 -0.731 19548 2926 1 11 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.171 -0.241 19548 2927 1 12 . 1 1 2 2 LEU N N 2 124.817 124.817 126.219 -1.402 19548 2928 1 12 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.808 -0.327 19548 2929 1 12 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.161 -0.659 19548 2930 1 12 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.519 -0.109 19548 2931 1 12 . 1 1 2 2 LEU H H 2 8.411 8.411 8.480 -0.069 19548 2932 1 12 . 1 1 3 3 ILE N N 3 130.687 130.687 124.804 5.883 19548 2933 1 12 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.414 0.565 19548 2934 1 12 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.247 -1.226 19548 2935 1 12 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.956 -0.972 19548 2936 1 12 . 1 1 3 3 ILE H H 3 10.326 10.326 8.397 1.929 19548 2937 1 12 . 1 1 4 4 LEU N N 4 123.391 123.391 123.957 -0.566 19548 2938 1 12 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.784 -0.001 19548 2939 1 12 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.798 -1.207 19548 2940 1 12 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.512 2.979 19548 2941 1 12 . 1 1 4 4 LEU H H 4 8.793 8.793 8.090 0.703 19548 2942 1 12 . 1 1 5 5 THR HA H 5 5.491 5.491 4.699 0.792 19548 2943 1 12 . 1 1 5 5 THR CA C 5 61.148 61.148 61.561 -0.413 19548 2944 1 12 . 1 1 5 5 THR CB C 5 69.731 69.731 70.088 -0.357 19548 2945 1 12 . 1 1 6 6 ARG N N 6 125.087 125.087 121.322 3.765 19548 2946 1 12 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.560 0.405 19548 2947 1 12 . 1 1 6 6 ARG CA C 6 55.121 55.121 54.924 0.197 19548 2948 1 12 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.328 5.079 19548 2949 1 12 . 1 1 6 6 ARG H H 6 9.367 9.367 8.387 0.980 19548 2950 1 12 . 1 1 7 7 LYS N N 7 123.260 123.260 121.260 2.000 19548 2951 1 12 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.684 0.414 19548 2952 1 12 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.824 -0.575 19548 2953 1 12 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.451 -0.196 19548 2954 1 12 . 1 1 7 7 LYS H H 7 9.406 9.406 9.116 0.290 19548 2955 1 12 . 1 1 8 8 VAL N N 8 118.507 118.507 117.233 1.274 19548 2956 1 12 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.837 -0.530 19548 2957 1 12 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.522 2.455 19548 2958 1 12 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.133 0.439 19548 2959 1 12 . 1 1 8 8 VAL H H 8 7.764 7.764 8.199 -0.435 19548 2960 1 12 . 1 1 9 9 GLY N N 9 116.023 116.023 114.669 1.354 19548 2961 1 12 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.789 -0.214 19548 2962 1 12 . 1 1 9 9 GLY H H 9 9.238 9.238 9.250 -0.012 19548 2963 1 12 . 1 1 10 10 GLU N N 10 119.392 119.392 119.495 -0.103 19548 2964 1 12 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.770 0.122 19548 2965 1 12 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.297 1.461 19548 2966 1 12 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.952 -0.111 19548 2967 1 12 . 1 1 10 10 GLU H H 10 8.401 8.401 7.927 0.474 19548 2968 1 12 . 1 1 11 11 SER N N 11 112.280 112.280 113.365 -1.085 19548 2969 1 12 . 1 1 11 11 SER HA H 11 5.870 5.870 5.498 0.372 19548 2970 1 12 . 1 1 11 11 SER CA C 11 57.964 57.964 56.955 1.009 19548 2971 1 12 . 1 1 11 11 SER CB C 11 66.971 66.971 66.146 0.825 19548 2972 1 12 . 1 1 11 11 SER H H 11 8.618 8.618 8.323 0.295 19548 2973 1 12 . 1 1 12 12 ILE N N 12 124.303 124.303 118.962 5.341 19548 2974 1 12 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.392 -0.038 19548 2975 1 12 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.529 -0.548 19548 2976 1 12 . 1 1 12 12 ILE CB C 12 42.755 42.755 43.060 -0.305 19548 2977 1 12 . 1 1 12 12 ILE H H 12 9.328 9.328 8.784 0.544 19548 2978 1 12 . 1 1 13 13 ASN N N 13 126.189 126.189 120.323 5.866 19548 2979 1 12 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.326 -0.309 19548 2980 1 12 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.597 0.802 19548 2981 1 12 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.902 -0.460 19548 2982 1 12 . 1 1 13 13 ASN H H 13 9.395 9.395 8.488 0.907 19548 2983 1 12 . 1 1 14 14 ILE N N 14 123.998 123.998 119.900 4.098 19548 2984 1 12 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.464 -0.019 19548 2985 1 12 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.540 -0.001 19548 2986 1 12 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.821 -3.312 19548 2987 1 12 . 1 1 14 14 ILE H H 14 8.455 8.455 8.362 0.093 19548 2988 1 12 . 1 1 15 15 GLY N N 15 115.223 115.223 113.041 2.182 19548 2989 1 12 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.519 -0.571 19548 2990 1 12 . 1 1 15 15 GLY H H 15 9.039 9.039 8.706 0.333 19548 2991 1 12 . 1 1 16 16 ASP N N 16 120.438 120.438 115.352 5.086 19548 2992 1 12 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.286 0.626 19548 2993 1 12 . 1 1 16 16 ASP CA C 16 55.306 55.306 55.633 -0.327 19548 2994 1 12 . 1 1 16 16 ASP CB C 16 42.366 42.366 39.737 2.629 19548 2995 1 12 . 1 1 16 16 ASP H H 16 8.714 8.714 8.534 0.180 19548 2996 1 12 . 1 1 17 17 ASP N N 17 115.581 115.581 116.040 -0.459 19548 2997 1 12 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.798 -0.070 19548 2998 1 12 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.087 0.092 19548 2999 1 12 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.531 -0.998 19548 3000 1 12 . 1 1 17 17 ASP H H 17 8.158 8.158 7.781 0.377 19548 3001 1 12 . 1 1 18 18 ILE N N 18 118.645 118.645 119.817 -1.172 19548 3002 1 12 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.028 0.160 19548 3003 1 12 . 1 1 18 18 ILE CA C 18 60.085 60.085 59.884 0.201 19548 3004 1 12 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.462 -2.766 19548 3005 1 12 . 1 1 18 18 ILE H H 18 7.180 7.180 8.078 -0.898 19548 3006 1 12 . 1 1 19 19 THR N N 19 122.845 122.845 120.637 2.208 19548 3007 1 12 . 1 1 19 19 THR HA H 19 5.117 5.117 5.075 0.042 19548 3008 1 12 . 1 1 19 19 THR CA C 19 61.009 61.009 61.401 -0.392 19548 3009 1 12 . 1 1 19 19 THR CB C 19 71.661 71.661 72.189 -0.528 19548 3010 1 12 . 1 1 19 19 THR H H 19 8.970 8.970 8.740 0.230 19548 3011 1 12 . 1 1 20 20 ILE N N 20 123.857 123.857 123.204 0.653 19548 3012 1 12 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.960 -0.068 19548 3013 1 12 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.087 -0.135 19548 3014 1 12 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.995 -1.657 19548 3015 1 12 . 1 1 20 20 ILE H H 20 8.954 8.954 9.081 -0.127 19548 3016 1 12 . 1 1 21 21 THR N N 21 123.681 123.681 120.192 3.489 19548 3017 1 12 . 1 1 21 21 THR HA H 21 4.840 4.840 4.926 -0.086 19548 3018 1 12 . 1 1 21 21 THR CA C 21 61.503 61.503 61.598 -0.095 19548 3019 1 12 . 1 1 21 21 THR CB C 21 71.965 71.965 71.756 0.209 19548 3020 1 12 . 1 1 21 21 THR H H 21 9.428 9.428 8.841 0.587 19548 3021 1 12 . 1 1 22 22 ILE N N 22 125.758 125.758 128.880 -3.122 19548 3022 1 12 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.250 -0.126 19548 3023 1 12 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.211 0.047 19548 3024 1 12 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.660 -3.736 19548 3025 1 12 . 1 1 22 22 ILE H H 22 8.131 8.131 8.392 -0.261 19548 3026 1 12 . 1 1 23 23 LEU N N 23 129.382 129.382 130.093 -0.711 19548 3027 1 12 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.198 0.321 19548 3028 1 12 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.772 -0.197 19548 3029 1 12 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.932 0.454 19548 3030 1 12 . 1 1 23 23 LEU H H 23 8.893 8.893 8.202 0.691 19548 3031 1 12 . 1 1 24 24 GLY N N 24 104.715 104.715 104.520 0.195 19548 3032 1 12 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.773 1.210 19548 3033 1 12 . 1 1 24 24 GLY H H 24 7.559 7.559 7.547 0.012 19548 3034 1 12 . 1 1 25 25 VAL N N 25 120.337 120.337 115.500 4.837 19548 3035 1 12 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.818 -0.171 19548 3036 1 12 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.643 2.834 19548 3037 1 12 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.478 0.255 19548 3038 1 12 . 1 1 25 25 VAL H H 25 8.431 8.431 8.301 0.130 19548 3039 1 12 . 1 1 26 26 SER N N 26 121.660 121.660 117.516 4.144 19548 3040 1 12 . 1 1 26 26 SER HA H 26 4.658 4.658 4.680 -0.022 19548 3041 1 12 . 1 1 26 26 SER CA C 26 56.395 56.395 58.076 -1.681 19548 3042 1 12 . 1 1 26 26 SER CB C 26 63.731 63.731 63.522 0.209 19548 3043 1 12 . 1 1 26 26 SER H H 26 8.614 8.614 8.803 -0.189 19548 3044 1 12 . 1 1 27 27 GLY N N 27 118.321 118.321 113.043 5.278 19548 3045 1 12 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.686 1.776 19548 3046 1 12 . 1 1 27 27 GLY H H 27 8.916 8.916 8.183 0.733 19548 3047 1 12 . 1 1 28 28 GLN N N 28 124.491 124.491 122.893 1.598 19548 3048 1 12 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.249 0.069 19548 3049 1 12 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.489 -1.383 19548 3050 1 12 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.728 1.010 19548 3051 1 12 . 1 1 28 28 GLN H H 28 8.814 8.814 8.592 0.222 19548 3052 1 12 . 1 1 29 29 GLN N N 29 117.410 117.410 119.686 -2.276 19548 3053 1 12 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.411 0.252 19548 3054 1 12 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.855 -0.471 19548 3055 1 12 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.261 1.109 19548 3056 1 12 . 1 1 29 29 GLN H H 29 8.310 8.310 7.535 0.775 19548 3057 1 12 . 1 1 30 30 VAL N N 30 123.844 123.844 122.106 1.738 19548 3058 1 12 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.394 0.156 19548 3059 1 12 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.605 -0.975 19548 3060 1 12 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.395 0.151 19548 3061 1 12 . 1 1 30 30 VAL H H 30 9.146 9.146 8.379 0.767 19548 3062 1 12 . 1 1 31 31 ARG N N 31 128.326 128.326 127.944 0.382 19548 3063 1 12 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.721 -0.070 19548 3064 1 12 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.162 0.593 19548 3065 1 12 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.916 -0.069 19548 3066 1 12 . 1 1 31 31 ARG H H 31 8.742 8.742 8.449 0.293 19548 3067 1 12 . 1 1 32 32 ILE N N 32 127.673 127.673 122.777 4.896 19548 3068 1 12 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.924 -0.291 19548 3069 1 12 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.339 0.447 19548 3070 1 12 . 1 1 32 32 ILE CB C 32 40.704 40.704 41.949 -1.245 19548 3071 1 12 . 1 1 32 32 ILE H H 32 9.018 9.018 8.450 0.568 19548 3072 1 12 . 1 1 33 33 GLY N N 33 112.593 112.593 111.801 0.792 19548 3073 1 12 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.718 0.994 19548 3074 1 12 . 1 1 33 33 GLY H H 33 9.193 9.193 8.965 0.228 19548 3075 1 12 . 1 1 34 34 ILE N N 34 125.160 125.160 120.831 4.329 19548 3076 1 12 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.822 -0.019 19548 3077 1 12 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.223 0.675 19548 3078 1 12 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.529 -1.423 19548 3079 1 12 . 1 1 34 34 ILE H H 34 9.635 9.635 8.192 1.443 19548 3080 1 12 . 1 1 35 35 ASN N N 35 129.265 129.265 124.121 5.144 19548 3081 1 12 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.960 0.130 19548 3082 1 12 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.954 -0.843 19548 3083 1 12 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.874 -0.698 19548 3084 1 12 . 1 1 35 35 ASN H H 35 9.012 9.012 8.841 0.171 19548 3085 1 12 . 1 1 36 36 ALA N N 36 125.567 125.567 127.582 -2.015 19548 3086 1 12 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.113 -0.053 19548 3087 1 12 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.494 -0.165 19548 3088 1 12 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.014 -1.031 19548 3089 1 12 . 1 1 36 36 ALA H H 36 8.239 8.239 8.118 0.121 19548 3090 1 12 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.564 -0.155 19548 3091 1 12 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.284 0.617 19548 3092 1 12 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.803 -0.404 19548 3093 1 12 . 1 1 38 38 LYS N N 38 121.055 121.055 121.421 -0.366 19548 3094 1 12 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.035 -0.264 19548 3095 1 12 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.833 1.004 19548 3096 1 12 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.934 -0.082 19548 3097 1 12 . 1 1 38 38 LYS H H 38 8.559 8.559 8.696 -0.137 19548 3098 1 12 . 1 1 39 39 ASP N N 39 113.847 113.847 118.135 -4.288 19548 3099 1 12 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.495 -0.154 19548 3100 1 12 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.692 -1.661 19548 3101 1 12 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.951 -1.147 19548 3102 1 12 . 1 1 39 39 ASP H H 39 8.139 8.139 8.279 -0.140 19548 3103 1 12 . 1 1 40 40 VAL N N 40 122.630 122.630 115.194 7.436 19548 3104 1 12 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.451 -0.500 19548 3105 1 12 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.643 2.275 19548 3106 1 12 . 1 1 40 40 VAL CB C 40 31.881 31.881 34.848 -2.967 19548 3107 1 12 . 1 1 40 40 VAL H H 40 8.009 8.009 7.577 0.432 19548 3108 1 12 . 1 1 41 41 ALA N N 41 133.597 133.597 123.372 10.225 19548 3109 1 12 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.741 -0.294 19548 3110 1 12 . 1 1 41 41 ALA CA C 41 52.249 52.249 50.970 1.279 19548 3111 1 12 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.027 -0.941 19548 3112 1 12 . 1 1 41 41 ALA H H 41 8.876 8.876 8.228 0.648 19548 3113 1 12 . 1 1 42 42 VAL N N 42 125.047 125.047 118.213 6.834 19548 3114 1 12 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.443 -0.039 19548 3115 1 12 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.144 -0.557 19548 3116 1 12 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.545 0.099 19548 3117 1 12 . 1 1 42 42 VAL H H 42 7.805 7.805 7.901 -0.096 19548 3118 1 12 . 1 1 43 43 HIS N N 43 118.998 118.998 122.671 -3.673 19548 3119 1 12 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.816 0.665 19548 3120 1 12 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.358 -1.388 19548 3121 1 12 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.110 5.347 19548 3122 1 12 . 1 1 43 43 HIS H H 43 8.657 8.657 8.380 0.277 19548 3123 1 12 . 1 1 44 44 ARG N N 44 122.532 122.532 121.445 1.087 19548 3124 1 12 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.309 -0.380 19548 3125 1 12 . 1 1 44 44 ARG CA C 44 58.401 58.401 55.999 2.402 19548 3126 1 12 . 1 1 44 44 ARG H H 44 8.949 8.949 8.723 0.226 19548 3127 1 12 . 1 1 45 45 GLU N N 45 126.110 126.110 122.887 3.223 19548 3128 1 12 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.021 0.330 19548 3129 1 12 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.769 -0.077 19548 3130 1 12 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.693 0.359 19548 3131 1 12 . 1 1 45 45 GLU H H 45 7.878 7.878 8.923 -1.045 19548 3132 1 12 . 1 1 46 46 GLU N N 46 118.207 118.207 117.839 0.368 19548 3133 1 12 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.144 0.107 19548 3134 1 12 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.696 0.009 19548 3135 1 12 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.486 -2.424 19548 3136 1 12 . 1 1 46 46 GLU H H 46 10.784 10.784 8.686 2.098 19548 3137 1 12 . 1 1 47 47 ILE N N 47 122.316 122.316 119.205 3.111 19548 3138 1 12 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.954 -0.127 19548 3139 1 12 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.218 -0.038 19548 3140 1 12 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.902 -2.185 19548 3141 1 12 . 1 1 47 47 ILE H H 47 7.229 7.229 7.626 -0.397 19548 3142 1 12 . 1 1 48 48 TYR N N 48 122.269 122.269 121.736 0.533 19548 3143 1 12 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.002 -0.357 19548 3144 1 12 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.345 0.727 19548 3145 1 12 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.336 0.714 19548 3146 1 12 . 1 1 48 48 TYR H H 48 8.124 8.124 8.495 -0.371 19548 3147 1 12 . 1 1 49 49 GLN N N 49 115.409 115.409 115.899 -0.490 19548 3148 1 12 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.964 -0.128 19548 3149 1 12 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.062 0.409 19548 3150 1 12 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.320 -0.136 19548 3151 1 12 . 1 1 49 49 GLN H H 49 8.604 8.604 7.953 0.651 19548 3152 1 12 . 1 1 50 50 ARG N N 50 120.065 120.065 118.887 1.178 19548 3153 1 12 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.133 -0.144 19548 3154 1 12 . 1 1 50 50 ARG CA C 50 59.002 59.002 58.499 0.502 19548 3155 1 12 . 1 1 50 50 ARG CB C 50 30.411 30.411 29.992 0.419 19548 3156 1 12 . 1 1 50 50 ARG H H 50 7.165 7.165 7.750 -0.585 19548 3157 1 12 . 1 1 51 51 ILE N N 51 120.716 120.716 116.953 3.763 19548 3158 1 12 . 1 1 51 51 ILE HA H 51 3.617 3.617 3.819 -0.202 19548 3159 1 12 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.828 1.415 19548 3160 1 12 . 1 1 51 51 ILE CB C 51 38.001 38.001 37.136 0.865 19548 3161 1 12 . 1 1 51 51 ILE H H 51 7.884 7.884 7.277 0.607 19548 3162 1 12 . 1 1 52 52 GLN N N 52 118.921 118.921 116.927 1.994 19548 3163 1 12 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.307 -0.500 19548 3164 1 12 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.701 1.671 19548 3165 1 12 . 1 1 52 52 GLN CB C 52 28.185 28.185 30.070 -1.885 19548 3166 1 12 . 1 1 52 52 GLN H H 52 7.905 7.905 7.539 0.366 19548 3167 1 12 . 1 1 53 53 ALA N N 53 120.638 120.638 119.371 1.267 19548 3168 1 12 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.644 -0.475 19548 3169 1 12 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.418 0.675 19548 3170 1 12 . 1 1 53 53 ALA CB C 53 18.574 18.574 20.646 -2.072 19548 3171 1 12 . 1 1 53 53 ALA H H 53 7.601 7.601 7.467 0.134 19548 3172 1 12 . 1 1 54 54 GLY N N 54 105.799 105.799 106.787 -0.988 19548 3173 1 12 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.139 0.378 19548 3174 1 12 . 1 1 54 54 GLY H H 54 7.720 7.720 8.073 -0.353 19548 3175 1 12 . 1 1 55 55 LEU N N 55 120.711 120.711 118.044 2.667 19548 3176 1 12 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.001 0.321 19548 3177 1 12 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.915 -0.659 19548 3178 1 12 . 1 1 55 55 LEU CB C 55 42.263 42.263 40.851 1.412 19548 3179 1 12 . 1 1 55 55 LEU H H 55 7.687 7.687 8.384 -0.697 19548 3180 1 12 . 1 1 56 56 THR N N 56 113.068 113.068 111.108 1.960 19548 3181 1 12 . 1 1 56 56 THR HA H 56 4.245 4.245 4.332 -0.087 19548 3182 1 12 . 1 1 56 56 THR CA C 56 61.383 61.383 62.282 -0.899 19548 3183 1 12 . 1 1 56 56 THR CB C 56 69.836 69.836 69.716 0.120 19548 3184 1 12 . 1 1 56 56 THR H H 56 7.746 7.746 8.004 -0.258 19548 3185 1 12 . 1 1 57 57 ALA N N 57 127.221 127.221 123.298 3.923 19548 3186 1 12 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.585 -0.094 19548 3187 1 12 . 1 1 57 57 ALA CA C 57 50.540 50.540 51.247 -0.707 19548 3188 1 12 . 1 1 57 57 ALA CB C 57 18.338 18.338 18.698 -0.360 19548 3189 1 12 . 1 1 57 57 ALA H H 57 8.065 8.065 7.668 0.397 19548 3190 1 12 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.395 -0.080 19548 3191 1 12 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.706 0.643 19548 3192 1 12 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.247 -0.317 19548 3193 1 13 . 1 1 2 2 LEU N N 2 124.817 124.817 124.746 0.071 19548 3194 1 13 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.849 -0.368 19548 3195 1 13 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.925 -0.423 19548 3196 1 13 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.856 -0.446 19548 3197 1 13 . 1 1 2 2 LEU H H 2 8.411 8.411 8.373 0.038 19548 3198 1 13 . 1 1 3 3 ILE N N 3 130.687 130.687 123.829 6.858 19548 3199 1 13 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.463 0.516 19548 3200 1 13 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.270 -1.249 19548 3201 1 13 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.902 -1.918 19548 3202 1 13 . 1 1 3 3 ILE H H 3 10.326 10.326 8.391 1.935 19548 3203 1 13 . 1 1 4 4 LEU N N 4 123.391 123.391 124.260 -0.869 19548 3204 1 13 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.761 0.022 19548 3205 1 13 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.896 -1.305 19548 3206 1 13 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.733 2.758 19548 3207 1 13 . 1 1 4 4 LEU H H 4 8.793 8.793 8.105 0.688 19548 3208 1 13 . 1 1 5 5 THR HA H 5 5.491 5.491 4.591 0.900 19548 3209 1 13 . 1 1 5 5 THR CA C 5 61.148 61.148 61.991 -0.843 19548 3210 1 13 . 1 1 5 5 THR CB C 5 69.731 69.731 69.624 0.107 19548 3211 1 13 . 1 1 6 6 ARG N N 6 125.087 125.087 122.211 2.876 19548 3212 1 13 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.458 0.507 19548 3213 1 13 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.646 -0.525 19548 3214 1 13 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.180 5.227 19548 3215 1 13 . 1 1 6 6 ARG H H 6 9.367 9.367 8.333 1.034 19548 3216 1 13 . 1 1 7 7 LYS N N 7 123.260 123.260 124.528 -1.268 19548 3217 1 13 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.623 0.475 19548 3218 1 13 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.156 -0.907 19548 3219 1 13 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.580 -0.325 19548 3220 1 13 . 1 1 7 7 LYS H H 7 9.406 9.406 9.035 0.371 19548 3221 1 13 . 1 1 8 8 VAL N N 8 118.507 118.507 118.681 -0.174 19548 3222 1 13 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.853 -0.546 19548 3223 1 13 . 1 1 8 8 VAL CA C 8 65.977 65.977 62.987 2.990 19548 3224 1 13 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.765 0.808 19548 3225 1 13 . 1 1 8 8 VAL H H 8 7.764 7.764 8.303 -0.539 19548 3226 1 13 . 1 1 9 9 GLY N N 9 116.023 116.023 115.781 0.242 19548 3227 1 13 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.987 -0.412 19548 3228 1 13 . 1 1 9 9 GLY H H 9 9.238 9.238 9.144 0.094 19548 3229 1 13 . 1 1 10 10 GLU N N 10 119.392 119.392 120.995 -1.603 19548 3230 1 13 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.545 0.347 19548 3231 1 13 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.964 -0.206 19548 3232 1 13 . 1 1 10 10 GLU CB C 10 32.841 32.841 31.163 1.678 19548 3233 1 13 . 1 1 10 10 GLU H H 10 8.401 8.401 7.857 0.544 19548 3234 1 13 . 1 1 11 11 SER N N 11 112.280 112.280 113.099 -0.819 19548 3235 1 13 . 1 1 11 11 SER HA H 11 5.870 5.870 5.402 0.468 19548 3236 1 13 . 1 1 11 11 SER CA C 11 57.964 57.964 56.847 1.117 19548 3237 1 13 . 1 1 11 11 SER CB C 11 66.971 66.971 66.258 0.713 19548 3238 1 13 . 1 1 11 11 SER H H 11 8.618 8.618 8.297 0.321 19548 3239 1 13 . 1 1 12 12 ILE N N 12 124.303 124.303 119.271 5.032 19548 3240 1 13 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.454 -0.100 19548 3241 1 13 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.612 -0.631 19548 3242 1 13 . 1 1 12 12 ILE CB C 12 42.755 42.755 43.153 -0.398 19548 3243 1 13 . 1 1 12 12 ILE H H 12 9.328 9.328 8.741 0.587 19548 3244 1 13 . 1 1 13 13 ASN N N 13 126.189 126.189 121.741 4.448 19548 3245 1 13 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.457 -0.440 19548 3246 1 13 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.194 1.205 19548 3247 1 13 . 1 1 13 13 ASN CB C 13 41.442 41.442 42.151 -0.709 19548 3248 1 13 . 1 1 13 13 ASN H H 13 9.395 9.395 8.412 0.983 19548 3249 1 13 . 1 1 14 14 ILE N N 14 123.998 123.998 119.831 4.167 19548 3250 1 13 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.407 0.038 19548 3251 1 13 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.600 -0.061 19548 3252 1 13 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.737 -3.228 19548 3253 1 13 . 1 1 14 14 ILE H H 14 8.455 8.455 8.611 -0.156 19548 3254 1 13 . 1 1 15 15 GLY N N 15 115.223 115.223 113.717 1.506 19548 3255 1 13 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.535 -0.586 19548 3256 1 13 . 1 1 15 15 GLY H H 15 9.039 9.039 8.733 0.306 19548 3257 1 13 . 1 1 16 16 ASP N N 16 120.438 120.438 115.289 5.149 19548 3258 1 13 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.279 0.633 19548 3259 1 13 . 1 1 16 16 ASP CA C 16 55.306 55.306 55.661 -0.355 19548 3260 1 13 . 1 1 16 16 ASP CB C 16 42.366 42.366 39.771 2.595 19548 3261 1 13 . 1 1 16 16 ASP H H 16 8.714 8.714 8.550 0.164 19548 3262 1 13 . 1 1 17 17 ASP N N 17 115.581 115.581 116.025 -0.444 19548 3263 1 13 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.801 -0.073 19548 3264 1 13 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.110 0.069 19548 3265 1 13 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.531 -0.997 19548 3266 1 13 . 1 1 17 17 ASP H H 17 8.158 8.158 7.795 0.363 19548 3267 1 13 . 1 1 18 18 ILE N N 18 118.645 118.645 120.027 -1.382 19548 3268 1 13 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.080 0.108 19548 3269 1 13 . 1 1 18 18 ILE CA C 18 60.085 60.085 59.999 0.085 19548 3270 1 13 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.426 -2.730 19548 3271 1 13 . 1 1 18 18 ILE H H 18 7.180 7.180 8.175 -0.995 19548 3272 1 13 . 1 1 19 19 THR N N 19 122.845 122.845 121.031 1.814 19548 3273 1 13 . 1 1 19 19 THR HA H 19 5.117 5.117 5.092 0.025 19548 3274 1 13 . 1 1 19 19 THR CA C 19 61.009 61.009 61.323 -0.314 19548 3275 1 13 . 1 1 19 19 THR CB C 19 71.661 71.661 72.167 -0.506 19548 3276 1 13 . 1 1 19 19 THR H H 19 8.970 8.970 8.891 0.079 19548 3277 1 13 . 1 1 20 20 ILE N N 20 123.857 123.857 122.672 1.185 19548 3278 1 13 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.973 -0.081 19548 3279 1 13 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.242 -0.291 19548 3280 1 13 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.017 -1.679 19548 3281 1 13 . 1 1 20 20 ILE H H 20 8.954 8.954 9.133 -0.179 19548 3282 1 13 . 1 1 21 21 THR N N 21 123.681 123.681 120.544 3.137 19548 3283 1 13 . 1 1 21 21 THR HA H 21 4.840 4.840 4.860 -0.020 19548 3284 1 13 . 1 1 21 21 THR CA C 21 61.503 61.503 61.419 0.084 19548 3285 1 13 . 1 1 21 21 THR CB C 21 71.965 71.965 71.562 0.403 19548 3286 1 13 . 1 1 21 21 THR H H 21 9.428 9.428 8.707 0.721 19548 3287 1 13 . 1 1 22 22 ILE N N 22 125.758 125.758 128.779 -3.021 19548 3288 1 13 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.295 -0.171 19548 3289 1 13 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.776 0.482 19548 3290 1 13 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.401 -3.477 19548 3291 1 13 . 1 1 22 22 ILE H H 22 8.131 8.131 8.389 -0.258 19548 3292 1 13 . 1 1 23 23 LEU N N 23 129.382 129.382 129.007 0.375 19548 3293 1 13 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.176 0.343 19548 3294 1 13 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.959 -0.385 19548 3295 1 13 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.768 0.618 19548 3296 1 13 . 1 1 23 23 LEU H H 23 8.893 8.893 8.171 0.722 19548 3297 1 13 . 1 1 24 24 GLY N N 24 104.715 104.715 104.594 0.121 19548 3298 1 13 . 1 1 24 24 GLY CA C 24 45.984 45.984 45.033 0.951 19548 3299 1 13 . 1 1 24 24 GLY H H 24 7.559 7.559 7.489 0.070 19548 3300 1 13 . 1 1 25 25 VAL N N 25 120.337 120.337 118.930 1.407 19548 3301 1 13 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.680 -0.033 19548 3302 1 13 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.087 1.390 19548 3303 1 13 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.547 0.187 19548 3304 1 13 . 1 1 25 25 VAL H H 25 8.431 8.431 8.318 0.113 19548 3305 1 13 . 1 1 26 26 SER N N 26 121.660 121.660 122.869 -1.209 19548 3306 1 13 . 1 1 26 26 SER HA H 26 4.658 4.658 4.667 -0.009 19548 3307 1 13 . 1 1 26 26 SER CA C 26 56.395 56.395 58.078 -1.683 19548 3308 1 13 . 1 1 26 26 SER CB C 26 63.731 63.731 64.131 -0.400 19548 3309 1 13 . 1 1 26 26 SER H H 26 8.614 8.614 9.011 -0.397 19548 3310 1 13 . 1 1 27 27 GLY N N 27 118.321 118.321 112.775 5.546 19548 3311 1 13 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.655 1.807 19548 3312 1 13 . 1 1 27 27 GLY H H 27 8.916 8.916 8.234 0.682 19548 3313 1 13 . 1 1 28 28 GLN N N 28 124.491 124.491 123.031 1.460 19548 3314 1 13 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.230 0.088 19548 3315 1 13 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.638 -1.532 19548 3316 1 13 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.776 0.962 19548 3317 1 13 . 1 1 28 28 GLN H H 28 8.814 8.814 8.578 0.236 19548 3318 1 13 . 1 1 29 29 GLN N N 29 117.410 117.410 119.234 -1.824 19548 3319 1 13 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.415 0.248 19548 3320 1 13 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.632 -0.248 19548 3321 1 13 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.405 0.965 19548 3322 1 13 . 1 1 29 29 GLN H H 29 8.310 8.310 7.569 0.741 19548 3323 1 13 . 1 1 30 30 VAL N N 30 123.844 123.844 122.519 1.325 19548 3324 1 13 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.432 0.118 19548 3325 1 13 . 1 1 30 30 VAL CA C 30 60.630 60.630 60.999 -0.369 19548 3326 1 13 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.887 -0.341 19548 3327 1 13 . 1 1 30 30 VAL H H 30 9.146 9.146 8.346 0.800 19548 3328 1 13 . 1 1 31 31 ARG N N 31 128.326 128.326 127.647 0.679 19548 3329 1 13 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.745 -0.094 19548 3330 1 13 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.862 0.893 19548 3331 1 13 . 1 1 31 31 ARG CB C 31 31.847 31.847 32.522 -0.675 19548 3332 1 13 . 1 1 31 31 ARG H H 31 8.742 8.742 8.424 0.318 19548 3333 1 13 . 1 1 32 32 ILE N N 32 127.673 127.673 121.726 5.947 19548 3334 1 13 . 1 1 32 32 ILE HA H 32 4.633 4.633 5.051 -0.418 19548 3335 1 13 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.245 0.541 19548 3336 1 13 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.250 -1.546 19548 3337 1 13 . 1 1 32 32 ILE H H 32 9.018 9.018 8.448 0.570 19548 3338 1 13 . 1 1 33 33 GLY N N 33 112.593 112.593 110.736 1.857 19548 3339 1 13 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.803 0.909 19548 3340 1 13 . 1 1 33 33 GLY H H 33 9.193 9.193 8.885 0.308 19548 3341 1 13 . 1 1 34 34 ILE N N 34 125.160 125.160 120.341 4.819 19548 3342 1 13 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.864 -0.061 19548 3343 1 13 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.131 0.767 19548 3344 1 13 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.459 -1.353 19548 3345 1 13 . 1 1 34 34 ILE H H 34 9.635 9.635 8.192 1.443 19548 3346 1 13 . 1 1 35 35 ASN N N 35 129.265 129.265 123.851 5.414 19548 3347 1 13 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.969 0.121 19548 3348 1 13 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.758 -0.647 19548 3349 1 13 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.952 -0.776 19548 3350 1 13 . 1 1 35 35 ASN H H 35 9.012 9.012 8.820 0.192 19548 3351 1 13 . 1 1 36 36 ALA N N 36 125.567 125.567 127.794 -2.227 19548 3352 1 13 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.137 -0.077 19548 3353 1 13 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.573 -0.244 19548 3354 1 13 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.003 -1.020 19548 3355 1 13 . 1 1 36 36 ALA H H 36 8.239 8.239 8.151 0.088 19548 3356 1 13 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.554 -0.145 19548 3357 1 13 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.256 0.645 19548 3358 1 13 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.479 -0.080 19548 3359 1 13 . 1 1 38 38 LYS N N 38 121.055 121.055 121.573 -0.518 19548 3360 1 13 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.137 -0.366 19548 3361 1 13 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.732 1.105 19548 3362 1 13 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.863 -0.012 19548 3363 1 13 . 1 1 38 38 LYS H H 38 8.559 8.559 8.576 -0.017 19548 3364 1 13 . 1 1 39 39 ASP N N 39 113.847 113.847 119.050 -5.203 19548 3365 1 13 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.485 -0.144 19548 3366 1 13 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.207 -1.176 19548 3367 1 13 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.960 -1.156 19548 3368 1 13 . 1 1 39 39 ASP H H 39 8.139 8.139 8.387 -0.248 19548 3369 1 13 . 1 1 40 40 VAL N N 40 122.630 122.630 114.794 7.836 19548 3370 1 13 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.488 -0.537 19548 3371 1 13 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.744 2.174 19548 3372 1 13 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.114 -3.233 19548 3373 1 13 . 1 1 40 40 VAL H H 40 8.009 8.009 7.494 0.515 19548 3374 1 13 . 1 1 41 41 ALA N N 41 133.597 133.597 124.315 9.282 19548 3375 1 13 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.938 -0.491 19548 3376 1 13 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.251 0.998 19548 3377 1 13 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.453 -1.366 19548 3378 1 13 . 1 1 41 41 ALA H H 41 8.876 8.876 8.282 0.594 19548 3379 1 13 . 1 1 42 42 VAL N N 42 125.047 125.047 118.007 7.040 19548 3380 1 13 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.382 0.022 19548 3381 1 13 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.185 -0.598 19548 3382 1 13 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.535 0.109 19548 3383 1 13 . 1 1 42 42 VAL H H 42 7.805 7.805 7.800 0.005 19548 3384 1 13 . 1 1 43 43 HIS N N 43 118.998 118.998 122.318 -3.320 19548 3385 1 13 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.859 0.622 19548 3386 1 13 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.315 -1.345 19548 3387 1 13 . 1 1 43 43 HIS CB C 43 37.457 37.457 31.948 5.509 19548 3388 1 13 . 1 1 43 43 HIS H H 43 8.657 8.657 8.252 0.405 19548 3389 1 13 . 1 1 44 44 ARG N N 44 122.532 122.532 121.393 1.139 19548 3390 1 13 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.268 -0.339 19548 3391 1 13 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.158 2.243 19548 3392 1 13 . 1 1 44 44 ARG H H 44 8.949 8.949 8.716 0.233 19548 3393 1 13 . 1 1 45 45 GLU N N 45 126.110 126.110 122.621 3.489 19548 3394 1 13 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.000 0.351 19548 3395 1 13 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.937 -0.245 19548 3396 1 13 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.642 0.409 19548 3397 1 13 . 1 1 45 45 GLU H H 45 7.878 7.878 8.887 -1.009 19548 3398 1 13 . 1 1 46 46 GLU N N 46 118.207 118.207 116.255 1.952 19548 3399 1 13 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.189 0.062 19548 3400 1 13 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.614 0.091 19548 3401 1 13 . 1 1 46 46 GLU CB C 46 27.062 27.062 28.856 -1.794 19548 3402 1 13 . 1 1 46 46 GLU H H 46 10.784 10.784 8.772 2.012 19548 3403 1 13 . 1 1 47 47 ILE N N 47 122.316 122.316 118.288 4.028 19548 3404 1 13 . 1 1 47 47 ILE HA H 47 3.827 3.827 4.043 -0.216 19548 3405 1 13 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.033 0.147 19548 3406 1 13 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.704 -2.987 19548 3407 1 13 . 1 1 47 47 ILE H H 47 7.229 7.229 7.456 -0.227 19548 3408 1 13 . 1 1 48 48 TYR N N 48 122.269 122.269 122.864 -0.595 19548 3409 1 13 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.032 -0.387 19548 3410 1 13 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.863 0.209 19548 3411 1 13 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.122 0.927 19548 3412 1 13 . 1 1 48 48 TYR H H 48 8.124 8.124 8.597 -0.473 19548 3413 1 13 . 1 1 49 49 GLN N N 49 115.409 115.409 115.955 -0.546 19548 3414 1 13 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.992 -0.156 19548 3415 1 13 . 1 1 49 49 GLN CA C 49 58.471 58.471 58.161 0.310 19548 3416 1 13 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.532 -0.349 19548 3417 1 13 . 1 1 49 49 GLN H H 49 8.604 8.604 7.822 0.782 19548 3418 1 13 . 1 1 50 50 ARG N N 50 120.065 120.065 116.696 3.369 19548 3419 1 13 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.204 -0.215 19548 3420 1 13 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.099 1.903 19548 3421 1 13 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.189 0.222 19548 3422 1 13 . 1 1 50 50 ARG H H 50 7.165 7.165 7.527 -0.362 19548 3423 1 13 . 1 1 51 51 ILE N N 51 120.716 120.716 118.177 2.539 19548 3424 1 13 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.018 -0.401 19548 3425 1 13 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.556 1.687 19548 3426 1 13 . 1 1 51 51 ILE CB C 51 38.001 38.001 38.926 -0.925 19548 3427 1 13 . 1 1 51 51 ILE H H 51 7.884 7.884 7.565 0.319 19548 3428 1 13 . 1 1 52 52 GLN N N 52 118.921 118.921 118.907 0.014 19548 3429 1 13 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.974 -0.167 19548 3430 1 13 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.335 1.037 19548 3431 1 13 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.346 0.839 19548 3432 1 13 . 1 1 52 52 GLN H H 52 7.905 7.905 7.762 0.143 19548 3433 1 13 . 1 1 53 53 ALA N N 53 120.638 120.638 120.361 0.277 19548 3434 1 13 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.172 -0.003 19548 3435 1 13 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.812 0.281 19548 3436 1 13 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.789 -0.215 19548 3437 1 13 . 1 1 53 53 ALA H H 53 7.601 7.601 7.738 -0.137 19548 3438 1 13 . 1 1 54 54 GLY N N 54 105.799 105.799 104.286 1.513 19548 3439 1 13 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.943 0.574 19548 3440 1 13 . 1 1 54 54 GLY H H 54 7.720 7.720 7.751 -0.031 19548 3441 1 13 . 1 1 55 55 LEU N N 55 120.711 120.711 116.923 3.788 19548 3442 1 13 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.057 -0.735 19548 3443 1 13 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.452 1.804 19548 3444 1 13 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.642 -0.380 19548 3445 1 13 . 1 1 55 55 LEU H H 55 7.687 7.687 7.835 -0.148 19548 3446 1 13 . 1 1 56 56 THR N N 56 113.068 113.068 112.867 0.201 19548 3447 1 13 . 1 1 56 56 THR HA H 56 4.245 4.245 4.447 -0.202 19548 3448 1 13 . 1 1 56 56 THR CA C 56 61.383 61.383 62.213 -0.830 19548 3449 1 13 . 1 1 56 56 THR CB C 56 69.836 69.836 69.684 0.151 19548 3450 1 13 . 1 1 56 56 THR H H 56 7.746 7.746 8.297 -0.551 19548 3451 1 13 . 1 1 57 57 ALA N N 57 127.221 127.221 123.557 3.664 19548 3452 1 13 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.715 -0.224 19548 3453 1 13 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.798 -0.258 19548 3454 1 13 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.862 -1.524 19548 3455 1 13 . 1 1 57 57 ALA H H 57 8.065 8.065 7.586 0.479 19548 3456 1 13 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.430 -0.115 19548 3457 1 13 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.693 0.656 19548 3458 1 13 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.445 -0.515 19548 3459 1 14 . 1 1 2 2 LEU N N 2 124.817 124.817 126.288 -1.471 19548 3460 1 14 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.806 -0.325 19548 3461 1 14 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.141 -0.639 19548 3462 1 14 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.507 -0.097 19548 3463 1 14 . 1 1 2 2 LEU H H 2 8.411 8.411 8.485 -0.074 19548 3464 1 14 . 1 1 3 3 ILE N N 3 130.687 130.687 124.833 5.854 19548 3465 1 14 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.404 0.575 19548 3466 1 14 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.272 -1.251 19548 3467 1 14 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.872 -0.888 19548 3468 1 14 . 1 1 3 3 ILE H H 3 10.326 10.326 8.394 1.932 19548 3469 1 14 . 1 1 4 4 LEU N N 4 123.391 123.391 124.557 -1.166 19548 3470 1 14 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.749 0.034 19548 3471 1 14 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.826 -1.235 19548 3472 1 14 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.671 2.820 19548 3473 1 14 . 1 1 4 4 LEU H H 4 8.793 8.793 8.102 0.691 19548 3474 1 14 . 1 1 5 5 THR HA H 5 5.491 5.491 4.642 0.849 19548 3475 1 14 . 1 1 5 5 THR CA C 5 61.148 61.148 61.927 -0.779 19548 3476 1 14 . 1 1 5 5 THR CB C 5 69.731 69.731 69.671 0.060 19548 3477 1 14 . 1 1 6 6 ARG N N 6 125.087 125.087 121.080 4.007 19548 3478 1 14 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.409 0.556 19548 3479 1 14 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.434 -0.313 19548 3480 1 14 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.012 5.395 19548 3481 1 14 . 1 1 6 6 ARG H H 6 9.367 9.367 8.320 1.047 19548 3482 1 14 . 1 1 7 7 LYS N N 7 123.260 123.260 122.241 1.019 19548 3483 1 14 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.698 0.400 19548 3484 1 14 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.293 -0.044 19548 3485 1 14 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.377 -0.122 19548 3486 1 14 . 1 1 7 7 LYS H H 7 9.406 9.406 8.474 0.932 19548 3487 1 14 . 1 1 8 8 VAL N N 8 118.507 118.507 118.451 0.056 19548 3488 1 14 . 1 1 8 8 VAL HA H 8 3.307 3.307 4.054 -0.747 19548 3489 1 14 . 1 1 8 8 VAL CA C 8 65.977 65.977 62.609 3.368 19548 3490 1 14 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.362 0.210 19548 3491 1 14 . 1 1 8 8 VAL H H 8 7.764 7.764 8.244 -0.480 19548 3492 1 14 . 1 1 9 9 GLY N N 9 116.023 116.023 114.695 1.328 19548 3493 1 14 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.913 -0.338 19548 3494 1 14 . 1 1 9 9 GLY H H 9 9.238 9.238 9.172 0.066 19548 3495 1 14 . 1 1 10 10 GLU N N 10 119.392 119.392 119.588 -0.196 19548 3496 1 14 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.775 0.117 19548 3497 1 14 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.368 1.390 19548 3498 1 14 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.821 0.020 19548 3499 1 14 . 1 1 10 10 GLU H H 10 8.401 8.401 7.850 0.551 19548 3500 1 14 . 1 1 11 11 SER N N 11 112.280 112.280 113.857 -1.577 19548 3501 1 14 . 1 1 11 11 SER HA H 11 5.870 5.870 5.466 0.404 19548 3502 1 14 . 1 1 11 11 SER CA C 11 57.964 57.964 56.764 1.200 19548 3503 1 14 . 1 1 11 11 SER CB C 11 66.971 66.971 66.098 0.873 19548 3504 1 14 . 1 1 11 11 SER H H 11 8.618 8.618 8.378 0.240 19548 3505 1 14 . 1 1 12 12 ILE N N 12 124.303 124.303 119.276 5.027 19548 3506 1 14 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.463 -0.109 19548 3507 1 14 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.543 -0.562 19548 3508 1 14 . 1 1 12 12 ILE CB C 12 42.755 42.755 43.141 -0.386 19548 3509 1 14 . 1 1 12 12 ILE H H 12 9.328 9.328 8.758 0.570 19548 3510 1 14 . 1 1 13 13 ASN N N 13 126.189 126.189 121.342 4.847 19548 3511 1 14 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.205 -0.188 19548 3512 1 14 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.280 1.119 19548 3513 1 14 . 1 1 13 13 ASN CB C 13 41.442 41.442 42.093 -0.651 19548 3514 1 14 . 1 1 13 13 ASN H H 13 9.395 9.395 8.404 0.991 19548 3515 1 14 . 1 1 14 14 ILE N N 14 123.998 123.998 120.562 3.436 19548 3516 1 14 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.432 0.013 19548 3517 1 14 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.677 -0.138 19548 3518 1 14 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.606 -3.097 19548 3519 1 14 . 1 1 14 14 ILE H H 14 8.455 8.455 8.494 -0.039 19548 3520 1 14 . 1 1 15 15 GLY N N 15 115.223 115.223 113.354 1.869 19548 3521 1 14 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.173 -0.225 19548 3522 1 14 . 1 1 15 15 GLY H H 15 9.039 9.039 8.590 0.449 19548 3523 1 14 . 1 1 16 16 ASP N N 16 120.438 120.438 121.011 -0.573 19548 3524 1 14 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.692 0.220 19548 3525 1 14 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.098 1.208 19548 3526 1 14 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.416 0.950 19548 3527 1 14 . 1 1 16 16 ASP H H 16 8.714 8.714 8.350 0.364 19548 3528 1 14 . 1 1 17 17 ASP N N 17 115.581 115.581 119.845 -4.264 19548 3529 1 14 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.854 -0.126 19548 3530 1 14 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.019 0.160 19548 3531 1 14 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.933 -1.400 19548 3532 1 14 . 1 1 17 17 ASP H H 17 8.158 8.158 7.918 0.240 19548 3533 1 14 . 1 1 18 18 ILE N N 18 118.645 118.645 120.053 -1.408 19548 3534 1 14 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.157 0.031 19548 3535 1 14 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.335 -0.250 19548 3536 1 14 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.107 -2.411 19548 3537 1 14 . 1 1 18 18 ILE H H 18 7.180 7.180 7.645 -0.465 19548 3538 1 14 . 1 1 19 19 THR N N 19 122.845 122.845 120.949 1.896 19548 3539 1 14 . 1 1 19 19 THR HA H 19 5.117 5.117 5.021 0.096 19548 3540 1 14 . 1 1 19 19 THR CA C 19 61.009 61.009 61.519 -0.510 19548 3541 1 14 . 1 1 19 19 THR CB C 19 71.661 71.661 72.381 -0.720 19548 3542 1 14 . 1 1 19 19 THR H H 19 8.970 8.970 8.820 0.150 19548 3543 1 14 . 1 1 20 20 ILE N N 20 123.857 123.857 121.933 1.924 19548 3544 1 14 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.885 0.007 19548 3545 1 14 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.467 -0.516 19548 3546 1 14 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.102 -1.764 19548 3547 1 14 . 1 1 20 20 ILE H H 20 8.954 8.954 9.112 -0.158 19548 3548 1 14 . 1 1 21 21 THR N N 21 123.681 123.681 119.543 4.138 19548 3549 1 14 . 1 1 21 21 THR HA H 21 4.840 4.840 4.960 -0.120 19548 3550 1 14 . 1 1 21 21 THR CA C 21 61.503 61.503 61.373 0.129 19548 3551 1 14 . 1 1 21 21 THR CB C 21 71.965 71.965 72.179 -0.214 19548 3552 1 14 . 1 1 21 21 THR H H 21 9.428 9.428 8.855 0.573 19548 3553 1 14 . 1 1 22 22 ILE N N 22 125.758 125.758 126.598 -0.840 19548 3554 1 14 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.513 -0.389 19548 3555 1 14 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.291 0.967 19548 3556 1 14 . 1 1 22 22 ILE CB C 22 33.924 33.924 38.001 -4.077 19548 3557 1 14 . 1 1 22 22 ILE H H 22 8.131 8.131 8.473 -0.342 19548 3558 1 14 . 1 1 23 23 LEU N N 23 129.382 129.382 128.530 0.852 19548 3559 1 14 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.311 0.208 19548 3560 1 14 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.161 -0.587 19548 3561 1 14 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.729 0.657 19548 3562 1 14 . 1 1 23 23 LEU H H 23 8.893 8.893 8.269 0.624 19548 3563 1 14 . 1 1 24 24 GLY N N 24 104.715 104.715 104.285 0.430 19548 3564 1 14 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.861 1.123 19548 3565 1 14 . 1 1 24 24 GLY H H 24 7.559 7.559 7.580 -0.021 19548 3566 1 14 . 1 1 25 25 VAL N N 25 120.337 120.337 116.204 4.133 19548 3567 1 14 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.799 -0.152 19548 3568 1 14 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.671 2.806 19548 3569 1 14 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.202 0.531 19548 3570 1 14 . 1 1 25 25 VAL H H 25 8.431 8.431 8.319 0.112 19548 3571 1 14 . 1 1 26 26 SER N N 26 121.660 121.660 117.376 4.284 19548 3572 1 14 . 1 1 26 26 SER HA H 26 4.658 4.658 4.597 0.061 19548 3573 1 14 . 1 1 26 26 SER CA C 26 56.395 56.395 57.997 -1.602 19548 3574 1 14 . 1 1 26 26 SER CB C 26 63.731 63.731 63.649 0.082 19548 3575 1 14 . 1 1 26 26 SER H H 26 8.614 8.614 8.890 -0.276 19548 3576 1 14 . 1 1 27 27 GLY N N 27 118.321 118.321 112.263 6.058 19548 3577 1 14 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.690 1.772 19548 3578 1 14 . 1 1 27 27 GLY H H 27 8.916 8.916 8.207 0.709 19548 3579 1 14 . 1 1 28 28 GLN N N 28 124.491 124.491 123.052 1.439 19548 3580 1 14 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.235 0.083 19548 3581 1 14 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.603 -1.498 19548 3582 1 14 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.767 0.972 19548 3583 1 14 . 1 1 28 28 GLN H H 28 8.814 8.814 8.588 0.226 19548 3584 1 14 . 1 1 29 29 GLN N N 29 117.410 117.410 119.445 -2.035 19548 3585 1 14 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.411 0.252 19548 3586 1 14 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.840 -0.456 19548 3587 1 14 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.267 1.103 19548 3588 1 14 . 1 1 29 29 GLN H H 29 8.310 8.310 7.538 0.772 19548 3589 1 14 . 1 1 30 30 VAL N N 30 123.844 123.844 121.465 2.379 19548 3590 1 14 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.385 0.165 19548 3591 1 14 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.572 -0.942 19548 3592 1 14 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.773 -0.227 19548 3593 1 14 . 1 1 30 30 VAL H H 30 9.146 9.146 8.355 0.791 19548 3594 1 14 . 1 1 31 31 ARG N N 31 128.326 128.326 127.176 1.150 19548 3595 1 14 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.759 -0.108 19548 3596 1 14 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.041 0.714 19548 3597 1 14 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.865 -0.018 19548 3598 1 14 . 1 1 31 31 ARG H H 31 8.742 8.742 8.473 0.269 19548 3599 1 14 . 1 1 32 32 ILE N N 32 127.673 127.673 122.716 4.957 19548 3600 1 14 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.842 -0.209 19548 3601 1 14 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.448 0.338 19548 3602 1 14 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.108 -1.404 19548 3603 1 14 . 1 1 32 32 ILE H H 32 9.018 9.018 8.483 0.535 19548 3604 1 14 . 1 1 33 33 GLY N N 33 112.593 112.593 111.135 1.458 19548 3605 1 14 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.945 0.767 19548 3606 1 14 . 1 1 33 33 GLY H H 33 9.193 9.193 8.996 0.197 19548 3607 1 14 . 1 1 34 34 ILE N N 34 125.160 125.160 120.133 5.027 19548 3608 1 14 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.757 0.046 19548 3609 1 14 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.293 0.605 19548 3610 1 14 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.497 -1.392 19548 3611 1 14 . 1 1 34 34 ILE H H 34 9.635 9.635 8.181 1.454 19548 3612 1 14 . 1 1 35 35 ASN N N 35 129.265 129.265 123.766 5.499 19548 3613 1 14 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.988 0.102 19548 3614 1 14 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.687 -0.576 19548 3615 1 14 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.935 -0.759 19548 3616 1 14 . 1 1 35 35 ASN H H 35 9.012 9.012 8.903 0.109 19548 3617 1 14 . 1 1 36 36 ALA N N 36 125.567 125.567 127.440 -1.873 19548 3618 1 14 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.203 -0.143 19548 3619 1 14 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.578 -0.249 19548 3620 1 14 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.018 -1.035 19548 3621 1 14 . 1 1 36 36 ALA H H 36 8.239 8.239 8.154 0.085 19548 3622 1 14 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.551 -0.142 19548 3623 1 14 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.304 0.597 19548 3624 1 14 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.791 -0.392 19548 3625 1 14 . 1 1 38 38 LYS N N 38 121.055 121.055 121.117 -0.062 19548 3626 1 14 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.009 -0.238 19548 3627 1 14 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.879 0.958 19548 3628 1 14 . 1 1 38 38 LYS CB C 38 31.852 31.852 32.082 -0.230 19548 3629 1 14 . 1 1 38 38 LYS H H 38 8.559 8.559 8.634 -0.075 19548 3630 1 14 . 1 1 39 39 ASP N N 39 113.847 113.847 117.609 -3.762 19548 3631 1 14 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.504 -0.163 19548 3632 1 14 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.432 -1.401 19548 3633 1 14 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.996 -1.192 19548 3634 1 14 . 1 1 39 39 ASP H H 39 8.139 8.139 8.175 -0.036 19548 3635 1 14 . 1 1 40 40 VAL N N 40 122.630 122.630 114.428 8.202 19548 3636 1 14 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.482 -0.531 19548 3637 1 14 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.600 2.318 19548 3638 1 14 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.379 -3.498 19548 3639 1 14 . 1 1 40 40 VAL H H 40 8.009 8.009 7.524 0.485 19548 3640 1 14 . 1 1 41 41 ALA N N 41 133.597 133.597 123.096 10.501 19548 3641 1 14 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.739 -0.292 19548 3642 1 14 . 1 1 41 41 ALA CA C 41 52.249 52.249 50.947 1.302 19548 3643 1 14 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.024 -0.937 19548 3644 1 14 . 1 1 41 41 ALA H H 41 8.876 8.876 8.224 0.652 19548 3645 1 14 . 1 1 42 42 VAL N N 42 125.047 125.047 118.156 6.891 19548 3646 1 14 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.385 0.019 19548 3647 1 14 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.120 -0.533 19548 3648 1 14 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.492 0.152 19548 3649 1 14 . 1 1 42 42 VAL H H 42 7.805 7.805 7.854 -0.049 19548 3650 1 14 . 1 1 43 43 HIS N N 43 118.998 118.998 122.725 -3.727 19548 3651 1 14 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.809 0.672 19548 3652 1 14 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.325 -1.355 19548 3653 1 14 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.094 5.363 19548 3654 1 14 . 1 1 43 43 HIS H H 43 8.657 8.657 8.326 0.331 19548 3655 1 14 . 1 1 44 44 ARG N N 44 122.532 122.532 121.588 0.944 19548 3656 1 14 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.300 -0.371 19548 3657 1 14 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.032 2.369 19548 3658 1 14 . 1 1 44 44 ARG H H 44 8.949 8.949 8.719 0.230 19548 3659 1 14 . 1 1 45 45 GLU N N 45 126.110 126.110 122.731 3.379 19548 3660 1 14 . 1 1 45 45 GLU HA H 45 4.351 4.351 3.993 0.358 19548 3661 1 14 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.810 -0.118 19548 3662 1 14 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.780 0.272 19548 3663 1 14 . 1 1 45 45 GLU H H 45 7.878 7.878 8.870 -0.992 19548 3664 1 14 . 1 1 46 46 GLU N N 46 118.207 118.207 118.648 -0.441 19548 3665 1 14 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.173 0.078 19548 3666 1 14 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.953 -0.248 19548 3667 1 14 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.006 -1.944 19548 3668 1 14 . 1 1 46 46 GLU H H 46 10.784 10.784 8.683 2.101 19548 3669 1 14 . 1 1 47 47 ILE N N 47 122.316 122.316 120.130 2.186 19548 3670 1 14 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.867 -0.040 19548 3671 1 14 . 1 1 47 47 ILE CA C 47 61.180 61.180 63.153 -1.973 19548 3672 1 14 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.908 -3.191 19548 3673 1 14 . 1 1 47 47 ILE H H 47 7.229 7.229 7.456 -0.227 19548 3674 1 14 . 1 1 48 48 TYR N N 48 122.269 122.269 121.747 0.522 19548 3675 1 14 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.958 -0.313 19548 3676 1 14 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.982 0.090 19548 3677 1 14 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.158 0.891 19548 3678 1 14 . 1 1 48 48 TYR H H 48 8.124 8.124 8.452 -0.328 19548 3679 1 14 . 1 1 49 49 GLN N N 49 115.409 115.409 115.226 0.183 19548 3680 1 14 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.980 -0.144 19548 3681 1 14 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.995 0.477 19548 3682 1 14 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.508 -0.324 19548 3683 1 14 . 1 1 49 49 GLN H H 49 8.604 8.604 7.982 0.622 19548 3684 1 14 . 1 1 50 50 ARG N N 50 120.065 120.065 116.037 4.028 19548 3685 1 14 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.240 -0.251 19548 3686 1 14 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.658 2.344 19548 3687 1 14 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.321 0.090 19548 3688 1 14 . 1 1 50 50 ARG H H 50 7.165 7.165 7.618 -0.453 19548 3689 1 14 . 1 1 51 51 ILE N N 51 120.716 120.716 118.046 2.670 19548 3690 1 14 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.039 -0.422 19548 3691 1 14 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.168 2.075 19548 3692 1 14 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.061 -1.060 19548 3693 1 14 . 1 1 51 51 ILE H H 51 7.884 7.884 7.485 0.399 19548 3694 1 14 . 1 1 52 52 GLN N N 52 118.921 118.921 119.026 -0.105 19548 3695 1 14 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.052 -0.245 19548 3696 1 14 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.879 1.494 19548 3697 1 14 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.232 0.953 19548 3698 1 14 . 1 1 52 52 GLN H H 52 7.905 7.905 7.838 0.067 19548 3699 1 14 . 1 1 53 53 ALA N N 53 120.638 120.638 121.155 -0.517 19548 3700 1 14 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.130 0.039 19548 3701 1 14 . 1 1 53 53 ALA CA C 53 53.093 53.093 53.239 -0.146 19548 3702 1 14 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.969 -0.395 19548 3703 1 14 . 1 1 53 53 ALA H H 53 7.601 7.601 8.012 -0.411 19548 3704 1 14 . 1 1 54 54 GLY N N 54 105.799 105.799 104.052 1.747 19548 3705 1 14 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.002 0.515 19548 3706 1 14 . 1 1 54 54 GLY H H 54 7.720 7.720 7.786 -0.066 19548 3707 1 14 . 1 1 55 55 LEU N N 55 120.711 120.711 116.041 4.670 19548 3708 1 14 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.853 -0.531 19548 3709 1 14 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.383 -0.127 19548 3710 1 14 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.824 -0.561 19548 3711 1 14 . 1 1 55 55 LEU H H 55 7.687 7.687 7.539 0.148 19548 3712 1 14 . 1 1 56 56 THR N N 56 113.068 113.068 115.059 -1.991 19548 3713 1 14 . 1 1 56 56 THR HA H 56 4.245 4.245 3.890 0.355 19548 3714 1 14 . 1 1 56 56 THR CA C 56 61.383 61.383 64.053 -2.671 19548 3715 1 14 . 1 1 56 56 THR CB C 56 69.836 69.836 67.296 2.540 19548 3716 1 14 . 1 1 56 56 THR H H 56 7.746 7.746 8.270 -0.524 19548 3717 1 14 . 1 1 57 57 ALA N N 57 127.221 127.221 121.827 5.394 19548 3718 1 14 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.651 -0.160 19548 3719 1 14 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.705 -0.165 19548 3720 1 14 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.517 -1.179 19548 3721 1 14 . 1 1 57 57 ALA H H 57 8.065 8.065 7.869 0.196 19548 3722 1 14 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.425 -0.110 19548 3723 1 14 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.429 0.920 19548 3724 1 14 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.398 -0.468 19548 3725 1 15 . 1 1 2 2 LEU N N 2 124.817 124.817 126.255 -1.438 19548 3726 1 15 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.807 -0.326 19548 3727 1 15 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.993 -0.491 19548 3728 1 15 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.371 0.039 19548 3729 1 15 . 1 1 2 2 LEU H H 2 8.411 8.411 8.466 -0.055 19548 3730 1 15 . 1 1 3 3 ILE N N 3 130.687 130.687 124.807 5.880 19548 3731 1 15 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.350 0.629 19548 3732 1 15 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.119 -1.098 19548 3733 1 15 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.970 -0.986 19548 3734 1 15 . 1 1 3 3 ILE H H 3 10.326 10.326 8.333 1.993 19548 3735 1 15 . 1 1 4 4 LEU N N 4 123.391 123.391 123.812 -0.421 19548 3736 1 15 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.706 0.077 19548 3737 1 15 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.895 -1.304 19548 3738 1 15 . 1 1 4 4 LEU CB C 4 46.491 46.491 44.693 1.798 19548 3739 1 15 . 1 1 4 4 LEU H H 4 8.793 8.793 8.133 0.660 19548 3740 1 15 . 1 1 5 5 THR HA H 5 5.491 5.491 4.620 0.871 19548 3741 1 15 . 1 1 5 5 THR CA C 5 61.148 61.148 61.405 -0.257 19548 3742 1 15 . 1 1 5 5 THR CB C 5 69.731 69.731 69.657 0.074 19548 3743 1 15 . 1 1 6 6 ARG N N 6 125.087 125.087 125.695 -0.608 19548 3744 1 15 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.464 0.501 19548 3745 1 15 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.435 -0.314 19548 3746 1 15 . 1 1 6 6 ARG CB C 6 38.407 38.407 31.964 6.443 19548 3747 1 15 . 1 1 6 6 ARG H H 6 9.367 9.367 8.436 0.931 19548 3748 1 15 . 1 1 7 7 LYS N N 7 123.260 123.260 124.862 -1.602 19548 3749 1 15 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.522 0.576 19548 3750 1 15 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.164 -0.915 19548 3751 1 15 . 1 1 7 7 LYS CB C 7 34.255 34.255 33.814 0.441 19548 3752 1 15 . 1 1 7 7 LYS H H 7 9.406 9.406 8.895 0.511 19548 3753 1 15 . 1 1 8 8 VAL N N 8 118.507 118.507 117.773 0.734 19548 3754 1 15 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.987 -0.680 19548 3755 1 15 . 1 1 8 8 VAL CA C 8 65.977 65.977 62.867 3.110 19548 3756 1 15 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.316 0.256 19548 3757 1 15 . 1 1 8 8 VAL H H 8 7.764 7.764 8.131 -0.367 19548 3758 1 15 . 1 1 9 9 GLY N N 9 116.023 116.023 114.504 1.519 19548 3759 1 15 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.923 -0.348 19548 3760 1 15 . 1 1 9 9 GLY H H 9 9.238 9.238 9.150 0.088 19548 3761 1 15 . 1 1 10 10 GLU N N 10 119.392 119.392 119.834 -0.442 19548 3762 1 15 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.784 0.108 19548 3763 1 15 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.532 1.226 19548 3764 1 15 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.100 0.741 19548 3765 1 15 . 1 1 10 10 GLU H H 10 8.401 8.401 7.894 0.507 19548 3766 1 15 . 1 1 11 11 SER N N 11 112.280 112.280 113.381 -1.101 19548 3767 1 15 . 1 1 11 11 SER HA H 11 5.870 5.870 5.450 0.420 19548 3768 1 15 . 1 1 11 11 SER CA C 11 57.964 57.964 57.168 0.796 19548 3769 1 15 . 1 1 11 11 SER CB C 11 66.971 66.971 66.312 0.659 19548 3770 1 15 . 1 1 11 11 SER H H 11 8.618 8.618 8.385 0.233 19548 3771 1 15 . 1 1 12 12 ILE N N 12 124.303 124.303 119.632 4.671 19548 3772 1 15 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.436 -0.082 19548 3773 1 15 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.598 -0.617 19548 3774 1 15 . 1 1 12 12 ILE CB C 12 42.755 42.755 43.124 -0.369 19548 3775 1 15 . 1 1 12 12 ILE H H 12 9.328 9.328 8.840 0.488 19548 3776 1 15 . 1 1 13 13 ASN N N 13 126.189 126.189 120.361 5.828 19548 3777 1 15 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.081 -0.064 19548 3778 1 15 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.612 0.787 19548 3779 1 15 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.822 -0.379 19548 3780 1 15 . 1 1 13 13 ASN H H 13 9.395 9.395 8.476 0.919 19548 3781 1 15 . 1 1 14 14 ILE N N 14 123.998 123.998 121.219 2.779 19548 3782 1 15 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.465 -0.020 19548 3783 1 15 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.674 -0.135 19548 3784 1 15 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.389 -2.880 19548 3785 1 15 . 1 1 14 14 ILE H H 14 8.455 8.455 8.415 0.040 19548 3786 1 15 . 1 1 15 15 GLY N N 15 115.223 115.223 113.333 1.890 19548 3787 1 15 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.448 -0.500 19548 3788 1 15 . 1 1 15 15 GLY H H 15 9.039 9.039 8.590 0.449 19548 3789 1 15 . 1 1 16 16 ASP N N 16 120.438 120.438 121.920 -1.482 19548 3790 1 15 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.737 0.175 19548 3791 1 15 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.431 0.875 19548 3792 1 15 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.377 0.989 19548 3793 1 15 . 1 1 16 16 ASP H H 16 8.714 8.714 8.258 0.456 19548 3794 1 15 . 1 1 17 17 ASP N N 17 115.581 115.581 118.972 -3.391 19548 3795 1 15 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.774 -0.046 19548 3796 1 15 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.030 0.149 19548 3797 1 15 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.904 -1.371 19548 3798 1 15 . 1 1 17 17 ASP H H 17 8.158 8.158 7.854 0.304 19548 3799 1 15 . 1 1 18 18 ILE N N 18 118.645 118.645 119.990 -1.345 19548 3800 1 15 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.039 0.149 19548 3801 1 15 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.357 -0.272 19548 3802 1 15 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.208 -2.512 19548 3803 1 15 . 1 1 18 18 ILE H H 18 7.180 7.180 7.676 -0.496 19548 3804 1 15 . 1 1 19 19 THR N N 19 122.845 122.845 121.091 1.754 19548 3805 1 15 . 1 1 19 19 THR HA H 19 5.117 5.117 4.964 0.153 19548 3806 1 15 . 1 1 19 19 THR CA C 19 61.009 61.009 61.459 -0.450 19548 3807 1 15 . 1 1 19 19 THR CB C 19 71.661 71.661 72.018 -0.357 19548 3808 1 15 . 1 1 19 19 THR H H 19 8.970 8.970 8.712 0.258 19548 3809 1 15 . 1 1 20 20 ILE N N 20 123.857 123.857 122.302 1.555 19548 3810 1 15 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.979 -0.087 19548 3811 1 15 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.050 -0.099 19548 3812 1 15 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.957 -1.619 19548 3813 1 15 . 1 1 20 20 ILE H H 20 8.954 8.954 8.977 -0.023 19548 3814 1 15 . 1 1 21 21 THR N N 21 123.681 123.681 119.265 4.416 19548 3815 1 15 . 1 1 21 21 THR HA H 21 4.840 4.840 4.946 -0.106 19548 3816 1 15 . 1 1 21 21 THR CA C 21 61.503 61.503 61.789 -0.286 19548 3817 1 15 . 1 1 21 21 THR CB C 21 71.965 71.965 72.352 -0.387 19548 3818 1 15 . 1 1 21 21 THR H H 21 9.428 9.428 8.963 0.465 19548 3819 1 15 . 1 1 22 22 ILE N N 22 125.758 125.758 125.996 -0.238 19548 3820 1 15 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.601 -0.477 19548 3821 1 15 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.231 1.027 19548 3822 1 15 . 1 1 22 22 ILE CB C 22 33.924 33.924 38.185 -4.261 19548 3823 1 15 . 1 1 22 22 ILE H H 22 8.131 8.131 8.353 -0.222 19548 3824 1 15 . 1 1 23 23 LEU N N 23 129.382 129.382 129.251 0.131 19548 3825 1 15 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.168 0.350 19548 3826 1 15 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.153 -0.579 19548 3827 1 15 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.807 0.579 19548 3828 1 15 . 1 1 23 23 LEU H H 23 8.893 8.893 8.230 0.663 19548 3829 1 15 . 1 1 24 24 GLY N N 24 104.715 104.715 104.668 0.047 19548 3830 1 15 . 1 1 24 24 GLY CA C 24 45.984 45.984 45.101 0.883 19548 3831 1 15 . 1 1 24 24 GLY H H 24 7.559 7.559 7.489 0.070 19548 3832 1 15 . 1 1 25 25 VAL N N 25 120.337 120.337 118.785 1.552 19548 3833 1 15 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.502 0.145 19548 3834 1 15 . 1 1 25 25 VAL CA C 25 61.477 61.477 61.251 0.226 19548 3835 1 15 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.243 0.490 19548 3836 1 15 . 1 1 25 25 VAL H H 25 8.431 8.431 8.303 0.128 19548 3837 1 15 . 1 1 26 26 SER N N 26 121.660 121.660 124.898 -3.238 19548 3838 1 15 . 1 1 26 26 SER HA H 26 4.658 4.658 4.761 -0.103 19548 3839 1 15 . 1 1 26 26 SER CA C 26 56.395 56.395 58.016 -1.621 19548 3840 1 15 . 1 1 26 26 SER CB C 26 63.731 63.731 63.531 0.200 19548 3841 1 15 . 1 1 26 26 SER H H 26 8.614 8.614 9.122 -0.508 19548 3842 1 15 . 1 1 27 27 GLY N N 27 118.321 118.321 112.379 5.942 19548 3843 1 15 . 1 1 27 27 GLY CA C 27 47.462 47.462 46.063 1.399 19548 3844 1 15 . 1 1 27 27 GLY H H 27 8.916 8.916 8.463 0.453 19548 3845 1 15 . 1 1 28 28 GLN N N 28 124.491 124.491 122.895 1.596 19548 3846 1 15 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.229 0.089 19548 3847 1 15 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.655 -1.550 19548 3848 1 15 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.777 0.961 19548 3849 1 15 . 1 1 28 28 GLN H H 28 8.814 8.814 8.586 0.228 19548 3850 1 15 . 1 1 29 29 GLN N N 29 117.410 117.410 119.582 -2.172 19548 3851 1 15 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.410 0.253 19548 3852 1 15 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.917 -0.533 19548 3853 1 15 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.236 1.133 19548 3854 1 15 . 1 1 29 29 GLN H H 29 8.310 8.310 7.555 0.755 19548 3855 1 15 . 1 1 30 30 VAL N N 30 123.844 123.844 121.601 2.243 19548 3856 1 15 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.269 0.281 19548 3857 1 15 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.588 -0.958 19548 3858 1 15 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.770 -0.224 19548 3859 1 15 . 1 1 30 30 VAL H H 30 9.146 9.146 8.346 0.800 19548 3860 1 15 . 1 1 31 31 ARG N N 31 128.326 128.326 127.289 1.037 19548 3861 1 15 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.756 -0.105 19548 3862 1 15 . 1 1 31 31 ARG CA C 31 55.755 55.755 54.953 0.802 19548 3863 1 15 . 1 1 31 31 ARG CB C 31 31.847 31.847 32.116 -0.269 19548 3864 1 15 . 1 1 31 31 ARG H H 31 8.742 8.742 8.222 0.520 19548 3865 1 15 . 1 1 32 32 ILE N N 32 127.673 127.673 123.825 3.848 19548 3866 1 15 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.682 -0.049 19548 3867 1 15 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.532 0.253 19548 3868 1 15 . 1 1 32 32 ILE CB C 32 40.704 40.704 41.918 -1.214 19548 3869 1 15 . 1 1 32 32 ILE H H 32 9.018 9.018 8.487 0.531 19548 3870 1 15 . 1 1 33 33 GLY N N 33 112.593 112.593 112.121 0.472 19548 3871 1 15 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.469 1.243 19548 3872 1 15 . 1 1 33 33 GLY H H 33 9.193 9.193 8.888 0.305 19548 3873 1 15 . 1 1 34 34 ILE N N 34 125.160 125.160 121.494 3.666 19548 3874 1 15 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.723 0.080 19548 3875 1 15 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.290 0.608 19548 3876 1 15 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.460 -1.355 19548 3877 1 15 . 1 1 34 34 ILE H H 34 9.635 9.635 8.375 1.260 19548 3878 1 15 . 1 1 35 35 ASN N N 35 129.265 129.265 124.245 5.020 19548 3879 1 15 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.950 0.140 19548 3880 1 15 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.904 -0.793 19548 3881 1 15 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.778 -0.602 19548 3882 1 15 . 1 1 35 35 ASN H H 35 9.012 9.012 8.785 0.227 19548 3883 1 15 . 1 1 36 36 ALA N N 36 125.567 125.567 127.615 -2.048 19548 3884 1 15 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.143 -0.083 19548 3885 1 15 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.696 -0.367 19548 3886 1 15 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.973 -0.990 19548 3887 1 15 . 1 1 36 36 ALA H H 36 8.239 8.239 8.132 0.107 19548 3888 1 15 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.614 -0.205 19548 3889 1 15 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.218 0.683 19548 3890 1 15 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.237 0.162 19548 3891 1 15 . 1 1 38 38 LYS N N 38 121.055 121.055 121.246 -0.191 19548 3892 1 15 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.194 -0.423 19548 3893 1 15 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.690 1.147 19548 3894 1 15 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.774 0.078 19548 3895 1 15 . 1 1 38 38 LYS H H 38 8.559 8.559 8.493 0.066 19548 3896 1 15 . 1 1 39 39 ASP N N 39 113.847 113.847 118.434 -4.587 19548 3897 1 15 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.490 -0.149 19548 3898 1 15 . 1 1 39 39 ASP CA C 39 54.031 54.031 54.823 -0.792 19548 3899 1 15 . 1 1 39 39 ASP CB C 39 39.804 39.804 41.104 -1.300 19548 3900 1 15 . 1 1 39 39 ASP H H 39 8.139 8.139 8.221 -0.082 19548 3901 1 15 . 1 1 40 40 VAL N N 40 122.630 122.630 114.016 8.614 19548 3902 1 15 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.498 -0.547 19548 3903 1 15 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.712 2.206 19548 3904 1 15 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.657 -3.776 19548 3905 1 15 . 1 1 40 40 VAL H H 40 8.009 8.009 7.439 0.570 19548 3906 1 15 . 1 1 41 41 ALA N N 41 133.597 133.597 123.558 10.039 19548 3907 1 15 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.952 -0.505 19548 3908 1 15 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.294 0.955 19548 3909 1 15 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.503 -1.416 19548 3910 1 15 . 1 1 41 41 ALA H H 41 8.876 8.876 8.203 0.673 19548 3911 1 15 . 1 1 42 42 VAL N N 42 125.047 125.047 117.386 7.661 19548 3912 1 15 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.376 0.028 19548 3913 1 15 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.468 -0.881 19548 3914 1 15 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.009 0.635 19548 3915 1 15 . 1 1 42 42 VAL H H 42 7.805 7.805 7.687 0.118 19548 3916 1 15 . 1 1 43 43 HIS N N 43 118.998 118.998 122.845 -3.847 19548 3917 1 15 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.738 0.743 19548 3918 1 15 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.163 -1.193 19548 3919 1 15 . 1 1 43 43 HIS CB C 43 37.457 37.457 31.779 5.678 19548 3920 1 15 . 1 1 43 43 HIS H H 43 8.657 8.657 8.330 0.327 19548 3921 1 15 . 1 1 44 44 ARG N N 44 122.532 122.532 121.462 1.070 19548 3922 1 15 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.296 -0.367 19548 3923 1 15 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.098 2.303 19548 3924 1 15 . 1 1 44 44 ARG H H 44 8.949 8.949 8.733 0.216 19548 3925 1 15 . 1 1 45 45 GLU N N 45 126.110 126.110 122.777 3.333 19548 3926 1 15 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.026 0.325 19548 3927 1 15 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.840 -0.147 19548 3928 1 15 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.721 0.331 19548 3929 1 15 . 1 1 45 45 GLU H H 45 7.878 7.878 8.945 -1.067 19548 3930 1 15 . 1 1 46 46 GLU N N 46 118.207 118.207 118.193 0.014 19548 3931 1 15 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.157 0.094 19548 3932 1 15 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.976 -0.271 19548 3933 1 15 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.066 -2.004 19548 3934 1 15 . 1 1 46 46 GLU H H 46 10.784 10.784 8.697 2.087 19548 3935 1 15 . 1 1 47 47 ILE N N 47 122.316 122.316 118.502 3.814 19548 3936 1 15 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.974 -0.147 19548 3937 1 15 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.880 -0.701 19548 3938 1 15 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.963 -3.246 19548 3939 1 15 . 1 1 47 47 ILE H H 47 7.229 7.229 7.358 -0.129 19548 3940 1 15 . 1 1 48 48 TYR N N 48 122.269 122.269 122.527 -0.258 19548 3941 1 15 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.990 -0.345 19548 3942 1 15 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.565 0.507 19548 3943 1 15 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.333 0.716 19548 3944 1 15 . 1 1 48 48 TYR H H 48 8.124 8.124 8.719 -0.595 19548 3945 1 15 . 1 1 49 49 GLN N N 49 115.409 115.409 114.974 0.435 19548 3946 1 15 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.995 -0.159 19548 3947 1 15 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.932 0.539 19548 3948 1 15 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.420 -0.237 19548 3949 1 15 . 1 1 49 49 GLN H H 49 8.604 8.604 7.755 0.849 19548 3950 1 15 . 1 1 50 50 ARG N N 50 120.065 120.065 117.374 2.691 19548 3951 1 15 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.221 -0.232 19548 3952 1 15 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.678 2.324 19548 3953 1 15 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.102 0.309 19548 3954 1 15 . 1 1 50 50 ARG H H 50 7.165 7.165 7.679 -0.514 19548 3955 1 15 . 1 1 51 51 ILE N N 51 120.716 120.716 118.751 1.965 19548 3956 1 15 . 1 1 51 51 ILE HA H 51 3.617 3.617 3.817 -0.200 19548 3957 1 15 . 1 1 51 51 ILE CA C 51 64.243 64.243 63.078 1.165 19548 3958 1 15 . 1 1 51 51 ILE CB C 51 38.001 38.001 37.331 0.670 19548 3959 1 15 . 1 1 51 51 ILE H H 51 7.884 7.884 7.391 0.493 19548 3960 1 15 . 1 1 52 52 GLN N N 52 118.921 118.921 116.685 2.236 19548 3961 1 15 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.226 -0.419 19548 3962 1 15 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.589 1.783 19548 3963 1 15 . 1 1 52 52 GLN CB C 52 28.185 28.185 28.830 -0.645 19548 3964 1 15 . 1 1 52 52 GLN H H 52 7.905 7.905 7.554 0.351 19548 3965 1 15 . 1 1 53 53 ALA N N 53 120.638 120.638 119.540 1.098 19548 3966 1 15 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.585 -0.416 19548 3967 1 15 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.355 0.738 19548 3968 1 15 . 1 1 53 53 ALA CB C 53 18.574 18.574 20.757 -2.183 19548 3969 1 15 . 1 1 53 53 ALA H H 53 7.601 7.601 7.520 0.081 19548 3970 1 15 . 1 1 54 54 GLY N N 54 105.799 105.799 106.448 -0.649 19548 3971 1 15 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.444 0.073 19548 3972 1 15 . 1 1 54 54 GLY H H 54 7.720 7.720 7.991 -0.271 19548 3973 1 15 . 1 1 55 55 LEU N N 55 120.711 120.711 117.861 2.850 19548 3974 1 15 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.007 0.315 19548 3975 1 15 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.622 -0.366 19548 3976 1 15 . 1 1 55 55 LEU CB C 55 42.263 42.263 40.964 1.299 19548 3977 1 15 . 1 1 55 55 LEU H H 55 7.687 7.687 8.263 -0.576 19548 3978 1 15 . 1 1 56 56 THR N N 56 113.068 113.068 111.197 1.871 19548 3979 1 15 . 1 1 56 56 THR HA H 56 4.245 4.245 4.330 -0.085 19548 3980 1 15 . 1 1 56 56 THR CA C 56 61.383 61.383 62.235 -0.852 19548 3981 1 15 . 1 1 56 56 THR CB C 56 69.836 69.836 69.637 0.199 19548 3982 1 15 . 1 1 56 56 THR H H 56 7.746 7.746 7.968 -0.222 19548 3983 1 15 . 1 1 57 57 ALA N N 57 127.221 127.221 122.783 4.438 19548 3984 1 15 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.786 -0.295 19548 3985 1 15 . 1 1 57 57 ALA CA C 57 50.540 50.540 51.084 -0.544 19548 3986 1 15 . 1 1 57 57 ALA CB C 57 18.338 18.338 18.404 -0.066 19548 3987 1 15 . 1 1 57 57 ALA H H 57 8.065 8.065 7.979 0.086 19548 3988 1 15 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.581 -0.266 19548 3989 1 15 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.595 -1.246 19548 3990 1 15 . 1 1 58 58 PRO CB C 58 31.930 31.930 31.925 0.005 19548 3991 1 16 . 1 1 2 2 LEU N N 2 124.817 124.817 125.565 -0.748 19548 3992 1 16 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.858 -0.377 19548 3993 1 16 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.840 -0.338 19548 3994 1 16 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.737 -0.327 19548 3995 1 16 . 1 1 2 2 LEU H H 2 8.411 8.411 8.412 -0.001 19548 3996 1 16 . 1 1 3 3 ILE N N 3 130.687 130.687 123.761 6.926 19548 3997 1 16 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.505 0.474 19548 3998 1 16 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.119 -1.098 19548 3999 1 16 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.722 -1.738 19548 4000 1 16 . 1 1 3 3 ILE H H 3 10.326 10.326 8.379 1.947 19548 4001 1 16 . 1 1 4 4 LEU N N 4 123.391 123.391 122.699 0.692 19548 4002 1 16 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.822 -0.039 19548 4003 1 16 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.806 -1.215 19548 4004 1 16 . 1 1 4 4 LEU CB C 4 46.491 46.491 44.028 2.463 19548 4005 1 16 . 1 1 4 4 LEU H H 4 8.793 8.793 8.017 0.776 19548 4006 1 16 . 1 1 5 5 THR HA H 5 5.491 5.491 4.672 0.819 19548 4007 1 16 . 1 1 5 5 THR CA C 5 61.148 61.148 61.734 -0.587 19548 4008 1 16 . 1 1 5 5 THR CB C 5 69.731 69.731 69.947 -0.216 19548 4009 1 16 . 1 1 6 6 ARG N N 6 125.087 125.087 121.885 3.202 19548 4010 1 16 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.385 0.580 19548 4011 1 16 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.503 -0.382 19548 4012 1 16 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.270 6.136 19548 4013 1 16 . 1 1 6 6 ARG H H 6 9.367 9.367 8.337 1.030 19548 4014 1 16 . 1 1 7 7 LYS N N 7 123.260 123.260 124.488 -1.228 19548 4015 1 16 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.584 0.514 19548 4016 1 16 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.157 -0.908 19548 4017 1 16 . 1 1 7 7 LYS CB C 7 34.255 34.255 33.344 0.911 19548 4018 1 16 . 1 1 7 7 LYS H H 7 9.406 9.406 8.608 0.798 19548 4019 1 16 . 1 1 8 8 VAL N N 8 118.507 118.507 117.326 1.181 19548 4020 1 16 . 1 1 8 8 VAL HA H 8 3.307 3.307 4.012 -0.705 19548 4021 1 16 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.120 2.857 19548 4022 1 16 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.516 0.056 19548 4023 1 16 . 1 1 8 8 VAL H H 8 7.764 7.764 8.093 -0.329 19548 4024 1 16 . 1 1 9 9 GLY N N 9 116.023 116.023 114.480 1.543 19548 4025 1 16 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.912 -0.337 19548 4026 1 16 . 1 1 9 9 GLY H H 9 9.238 9.238 9.203 0.035 19548 4027 1 16 . 1 1 10 10 GLU N N 10 119.392 119.392 119.642 -0.250 19548 4028 1 16 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.767 0.125 19548 4029 1 16 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.354 1.404 19548 4030 1 16 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.800 0.041 19548 4031 1 16 . 1 1 10 10 GLU H H 10 8.401 8.401 7.843 0.558 19548 4032 1 16 . 1 1 11 11 SER N N 11 112.280 112.280 113.538 -1.258 19548 4033 1 16 . 1 1 11 11 SER HA H 11 5.870 5.870 5.380 0.490 19548 4034 1 16 . 1 1 11 11 SER CA C 11 57.964 57.964 56.851 1.113 19548 4035 1 16 . 1 1 11 11 SER CB C 11 66.971 66.971 66.114 0.857 19548 4036 1 16 . 1 1 11 11 SER H H 11 8.618 8.618 8.338 0.280 19548 4037 1 16 . 1 1 12 12 ILE N N 12 124.303 124.303 119.338 4.965 19548 4038 1 16 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.507 -0.153 19548 4039 1 16 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.095 -0.114 19548 4040 1 16 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.898 -0.142 19548 4041 1 16 . 1 1 12 12 ILE H H 12 9.328 9.328 8.828 0.500 19548 4042 1 16 . 1 1 13 13 ASN N N 13 126.189 126.189 120.170 6.019 19548 4043 1 16 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.321 -0.304 19548 4044 1 16 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.562 0.837 19548 4045 1 16 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.826 -0.384 19548 4046 1 16 . 1 1 13 13 ASN H H 13 9.395 9.395 8.482 0.913 19548 4047 1 16 . 1 1 14 14 ILE N N 14 123.998 123.998 119.837 4.161 19548 4048 1 16 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.468 -0.023 19548 4049 1 16 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.526 0.013 19548 4050 1 16 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.869 -3.360 19548 4051 1 16 . 1 1 14 14 ILE H H 14 8.455 8.455 8.452 0.003 19548 4052 1 16 . 1 1 15 15 GLY N N 15 115.223 115.223 113.046 2.177 19548 4053 1 16 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.511 -0.563 19548 4054 1 16 . 1 1 15 15 GLY H H 15 9.039 9.039 8.710 0.329 19548 4055 1 16 . 1 1 16 16 ASP N N 16 120.438 120.438 115.323 5.115 19548 4056 1 16 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.286 0.626 19548 4057 1 16 . 1 1 16 16 ASP CA C 16 55.306 55.306 55.612 -0.306 19548 4058 1 16 . 1 1 16 16 ASP CB C 16 42.366 42.366 39.765 2.601 19548 4059 1 16 . 1 1 16 16 ASP H H 16 8.714 8.714 8.523 0.191 19548 4060 1 16 . 1 1 17 17 ASP N N 17 115.581 115.581 115.961 -0.380 19548 4061 1 16 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.795 -0.067 19548 4062 1 16 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.132 0.047 19548 4063 1 16 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.665 -1.132 19548 4064 1 16 . 1 1 17 17 ASP H H 17 8.158 8.158 7.802 0.356 19548 4065 1 16 . 1 1 18 18 ILE N N 18 118.645 118.645 119.969 -1.324 19548 4066 1 16 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.060 0.128 19548 4067 1 16 . 1 1 18 18 ILE CA C 18 60.085 60.085 59.853 0.232 19548 4068 1 16 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.359 -2.663 19548 4069 1 16 . 1 1 18 18 ILE H H 18 7.180 7.180 8.223 -1.043 19548 4070 1 16 . 1 1 19 19 THR N N 19 122.845 122.845 120.685 2.160 19548 4071 1 16 . 1 1 19 19 THR HA H 19 5.117 5.117 5.087 0.030 19548 4072 1 16 . 1 1 19 19 THR CA C 19 61.009 61.009 61.403 -0.394 19548 4073 1 16 . 1 1 19 19 THR CB C 19 71.661 71.661 72.207 -0.546 19548 4074 1 16 . 1 1 19 19 THR H H 19 8.970 8.970 8.699 0.271 19548 4075 1 16 . 1 1 20 20 ILE N N 20 123.857 123.857 123.133 0.724 19548 4076 1 16 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.961 -0.069 19548 4077 1 16 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.035 -0.084 19548 4078 1 16 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.945 -1.607 19548 4079 1 16 . 1 1 20 20 ILE H H 20 8.954 8.954 9.104 -0.150 19548 4080 1 16 . 1 1 21 21 THR N N 21 123.681 123.681 120.827 2.854 19548 4081 1 16 . 1 1 21 21 THR HA H 21 4.840 4.840 4.917 -0.077 19548 4082 1 16 . 1 1 21 21 THR CA C 21 61.503 61.503 61.636 -0.133 19548 4083 1 16 . 1 1 21 21 THR CB C 21 71.965 71.965 71.614 0.351 19548 4084 1 16 . 1 1 21 21 THR H H 21 9.428 9.428 8.829 0.599 19548 4085 1 16 . 1 1 22 22 ILE N N 22 125.758 125.758 129.307 -3.549 19548 4086 1 16 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.282 -0.158 19548 4087 1 16 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.818 0.440 19548 4088 1 16 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.332 -3.408 19548 4089 1 16 . 1 1 22 22 ILE H H 22 8.131 8.131 8.368 -0.237 19548 4090 1 16 . 1 1 23 23 LEU N N 23 129.382 129.382 129.670 -0.288 19548 4091 1 16 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.147 0.372 19548 4092 1 16 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.057 -0.483 19548 4093 1 16 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.861 0.525 19548 4094 1 16 . 1 1 23 23 LEU H H 23 8.893 8.893 8.166 0.727 19548 4095 1 16 . 1 1 24 24 GLY N N 24 104.715 104.715 104.192 0.523 19548 4096 1 16 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.975 1.008 19548 4097 1 16 . 1 1 24 24 GLY H H 24 7.559 7.559 7.536 0.023 19548 4098 1 16 . 1 1 25 25 VAL N N 25 120.337 120.337 115.817 4.520 19548 4099 1 16 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.939 -0.292 19548 4100 1 16 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.887 2.590 19548 4101 1 16 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.870 -0.137 19548 4102 1 16 . 1 1 25 25 VAL H H 25 8.431 8.431 8.322 0.109 19548 4103 1 16 . 1 1 26 26 SER N N 26 121.660 121.660 118.349 3.311 19548 4104 1 16 . 1 1 26 26 SER HA H 26 4.658 4.658 4.626 0.032 19548 4105 1 16 . 1 1 26 26 SER CA C 26 56.395 56.395 58.050 -1.655 19548 4106 1 16 . 1 1 26 26 SER CB C 26 63.731 63.731 63.689 0.042 19548 4107 1 16 . 1 1 26 26 SER H H 26 8.614 8.614 8.753 -0.139 19548 4108 1 16 . 1 1 27 27 GLY N N 27 118.321 118.321 112.992 5.329 19548 4109 1 16 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.625 1.837 19548 4110 1 16 . 1 1 27 27 GLY H H 27 8.916 8.916 8.243 0.673 19548 4111 1 16 . 1 1 28 28 GLN N N 28 124.491 124.491 122.996 1.495 19548 4112 1 16 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.244 0.074 19548 4113 1 16 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.484 -1.379 19548 4114 1 16 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.733 1.004 19548 4115 1 16 . 1 1 28 28 GLN H H 28 8.814 8.814 8.587 0.227 19548 4116 1 16 . 1 1 29 29 GLN N N 29 117.410 117.410 119.554 -2.144 19548 4117 1 16 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.383 0.280 19548 4118 1 16 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.809 -0.425 19548 4119 1 16 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.158 1.212 19548 4120 1 16 . 1 1 29 29 GLN H H 29 8.310 8.310 7.608 0.702 19548 4121 1 16 . 1 1 30 30 VAL N N 30 123.844 123.844 122.440 1.404 19548 4122 1 16 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.442 0.108 19548 4123 1 16 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.335 -0.705 19548 4124 1 16 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.190 0.356 19548 4125 1 16 . 1 1 30 30 VAL H H 30 9.146 9.146 8.371 0.775 19548 4126 1 16 . 1 1 31 31 ARG N N 31 128.326 128.326 127.785 0.541 19548 4127 1 16 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.678 -0.027 19548 4128 1 16 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.006 0.749 19548 4129 1 16 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.994 -0.147 19548 4130 1 16 . 1 1 31 31 ARG H H 31 8.742 8.742 8.543 0.199 19548 4131 1 16 . 1 1 32 32 ILE N N 32 127.673 127.673 123.671 4.002 19548 4132 1 16 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.881 -0.248 19548 4133 1 16 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.483 0.303 19548 4134 1 16 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.009 -1.305 19548 4135 1 16 . 1 1 32 32 ILE H H 32 9.018 9.018 8.442 0.576 19548 4136 1 16 . 1 1 33 33 GLY N N 33 112.593 112.593 112.248 0.345 19548 4137 1 16 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.336 1.376 19548 4138 1 16 . 1 1 33 33 GLY H H 33 9.193 9.193 8.909 0.284 19548 4139 1 16 . 1 1 34 34 ILE N N 34 125.160 125.160 120.933 4.227 19548 4140 1 16 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.792 0.011 19548 4141 1 16 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.220 0.678 19548 4142 1 16 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.334 -1.229 19548 4143 1 16 . 1 1 34 34 ILE H H 34 9.635 9.635 8.352 1.283 19548 4144 1 16 . 1 1 35 35 ASN N N 35 129.265 129.265 124.097 5.168 19548 4145 1 16 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.958 0.132 19548 4146 1 16 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.984 -0.874 19548 4147 1 16 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.962 -0.786 19548 4148 1 16 . 1 1 35 35 ASN H H 35 9.012 9.012 8.723 0.289 19548 4149 1 16 . 1 1 36 36 ALA N N 36 125.567 125.567 127.635 -2.068 19548 4150 1 16 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.108 -0.048 19548 4151 1 16 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.582 -0.253 19548 4152 1 16 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.007 -1.024 19548 4153 1 16 . 1 1 36 36 ALA H H 36 8.239 8.239 8.125 0.114 19548 4154 1 16 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.567 -0.158 19548 4155 1 16 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.210 0.691 19548 4156 1 16 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.489 -0.090 19548 4157 1 16 . 1 1 38 38 LYS N N 38 121.055 121.055 121.473 -0.418 19548 4158 1 16 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.105 -0.334 19548 4159 1 16 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.951 0.886 19548 4160 1 16 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.857 -0.005 19548 4161 1 16 . 1 1 38 38 LYS H H 38 8.559 8.559 8.579 -0.020 19548 4162 1 16 . 1 1 39 39 ASP N N 39 113.847 113.847 118.880 -5.033 19548 4163 1 16 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.479 -0.138 19548 4164 1 16 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.217 -1.186 19548 4165 1 16 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.940 -1.136 19548 4166 1 16 . 1 1 39 39 ASP H H 39 8.139 8.139 8.398 -0.259 19548 4167 1 16 . 1 1 40 40 VAL N N 40 122.630 122.630 114.633 7.997 19548 4168 1 16 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.467 -0.516 19548 4169 1 16 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.721 2.197 19548 4170 1 16 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.104 -3.223 19548 4171 1 16 . 1 1 40 40 VAL H H 40 8.009 8.009 7.486 0.523 19548 4172 1 16 . 1 1 41 41 ALA N N 41 133.597 133.597 123.758 9.839 19548 4173 1 16 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.902 -0.455 19548 4174 1 16 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.441 0.808 19548 4175 1 16 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.361 -1.274 19548 4176 1 16 . 1 1 41 41 ALA H H 41 8.876 8.876 8.174 0.702 19548 4177 1 16 . 1 1 42 42 VAL N N 42 125.047 125.047 117.274 7.773 19548 4178 1 16 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.296 0.108 19548 4179 1 16 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.724 -1.137 19548 4180 1 16 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.254 0.390 19548 4181 1 16 . 1 1 42 42 VAL H H 42 7.805 7.805 7.590 0.215 19548 4182 1 16 . 1 1 43 43 HIS N N 43 118.998 118.998 123.014 -4.016 19548 4183 1 16 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.765 0.716 19548 4184 1 16 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.136 -1.167 19548 4185 1 16 . 1 1 43 43 HIS CB C 43 37.457 37.457 31.588 5.869 19548 4186 1 16 . 1 1 43 43 HIS H H 43 8.657 8.657 8.191 0.466 19548 4187 1 16 . 1 1 44 44 ARG N N 44 122.532 122.532 121.640 0.892 19548 4188 1 16 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.330 -0.401 19548 4189 1 16 . 1 1 44 44 ARG CA C 44 58.401 58.401 55.974 2.427 19548 4190 1 16 . 1 1 44 44 ARG H H 44 8.949 8.949 8.704 0.245 19548 4191 1 16 . 1 1 45 45 GLU N N 45 126.110 126.110 122.915 3.195 19548 4192 1 16 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.000 0.351 19548 4193 1 16 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.722 -0.030 19548 4194 1 16 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.757 0.295 19548 4195 1 16 . 1 1 45 45 GLU H H 45 7.878 7.878 8.879 -1.001 19548 4196 1 16 . 1 1 46 46 GLU N N 46 118.207 118.207 118.442 -0.235 19548 4197 1 16 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.164 0.087 19548 4198 1 16 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.216 -0.511 19548 4199 1 16 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.404 -2.342 19548 4200 1 16 . 1 1 46 46 GLU H H 46 10.784 10.784 8.698 2.086 19548 4201 1 16 . 1 1 47 47 ILE N N 47 122.316 122.316 119.058 3.258 19548 4202 1 16 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.900 -0.073 19548 4203 1 16 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.022 -0.842 19548 4204 1 16 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.712 -1.995 19548 4205 1 16 . 1 1 47 47 ILE H H 47 7.229 7.229 7.576 -0.347 19548 4206 1 16 . 1 1 48 48 TYR N N 48 122.269 122.269 121.999 0.270 19548 4207 1 16 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.033 -0.388 19548 4208 1 16 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.933 0.139 19548 4209 1 16 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.140 0.909 19548 4210 1 16 . 1 1 48 48 TYR H H 48 8.124 8.124 8.315 -0.191 19548 4211 1 16 . 1 1 49 49 GLN N N 49 115.409 115.409 115.295 0.114 19548 4212 1 16 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.982 -0.146 19548 4213 1 16 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.949 0.522 19548 4214 1 16 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.559 -0.376 19548 4215 1 16 . 1 1 49 49 GLN H H 49 8.604 8.604 7.847 0.757 19548 4216 1 16 . 1 1 50 50 ARG N N 50 120.065 120.065 116.111 3.954 19548 4217 1 16 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.247 -0.258 19548 4218 1 16 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.581 2.421 19548 4219 1 16 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.330 0.081 19548 4220 1 16 . 1 1 50 50 ARG H H 50 7.165 7.165 7.545 -0.380 19548 4221 1 16 . 1 1 51 51 ILE N N 51 120.716 120.716 118.234 2.482 19548 4222 1 16 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.059 -0.442 19548 4223 1 16 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.263 1.980 19548 4224 1 16 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.105 -1.104 19548 4225 1 16 . 1 1 51 51 ILE H H 51 7.884 7.884 7.394 0.490 19548 4226 1 16 . 1 1 52 52 GLN N N 52 118.921 118.921 118.916 0.005 19548 4227 1 16 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.080 -0.273 19548 4228 1 16 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.694 1.677 19548 4229 1 16 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.357 0.828 19548 4230 1 16 . 1 1 52 52 GLN H H 52 7.905 7.905 7.918 -0.013 19548 4231 1 16 . 1 1 53 53 ALA N N 53 120.638 120.638 121.190 -0.552 19548 4232 1 16 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.122 0.047 19548 4233 1 16 . 1 1 53 53 ALA CA C 53 53.093 53.093 53.234 -0.141 19548 4234 1 16 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.919 -0.345 19548 4235 1 16 . 1 1 53 53 ALA H H 53 7.601 7.601 8.020 -0.419 19548 4236 1 16 . 1 1 54 54 GLY N N 54 105.799 105.799 104.007 1.792 19548 4237 1 16 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.992 0.525 19548 4238 1 16 . 1 1 54 54 GLY H H 54 7.720 7.720 7.830 -0.110 19548 4239 1 16 . 1 1 55 55 LEU N N 55 120.711 120.711 116.106 4.605 19548 4240 1 16 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.808 -0.486 19548 4241 1 16 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.148 0.108 19548 4242 1 16 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.850 -0.587 19548 4243 1 16 . 1 1 55 55 LEU H H 55 7.687 7.687 7.578 0.109 19548 4244 1 16 . 1 1 56 56 THR N N 56 113.068 113.068 116.363 -3.295 19548 4245 1 16 . 1 1 56 56 THR HA H 56 4.245 4.245 3.876 0.369 19548 4246 1 16 . 1 1 56 56 THR CA C 56 61.383 61.383 63.831 -2.448 19548 4247 1 16 . 1 1 56 56 THR CB C 56 69.836 69.836 67.046 2.790 19548 4248 1 16 . 1 1 56 56 THR H H 56 7.746 7.746 8.045 -0.299 19548 4249 1 16 . 1 1 57 57 ALA N N 57 127.221 127.221 121.688 5.533 19548 4250 1 16 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.519 -0.028 19548 4251 1 16 . 1 1 57 57 ALA CA C 57 50.540 50.540 49.982 0.558 19548 4252 1 16 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.688 -1.350 19548 4253 1 16 . 1 1 57 57 ALA H H 57 8.065 8.065 7.763 0.302 19548 4254 1 16 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.388 -0.073 19548 4255 1 16 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.341 1.008 19548 4256 1 16 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.448 -0.518 19548 4257 1 17 . 1 1 2 2 LEU N N 2 124.817 124.817 126.734 -1.917 19548 4258 1 17 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.841 -0.360 19548 4259 1 17 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.094 -0.592 19548 4260 1 17 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.601 -0.191 19548 4261 1 17 . 1 1 2 2 LEU H H 2 8.411 8.411 8.526 -0.115 19548 4262 1 17 . 1 1 3 3 ILE N N 3 130.687 130.687 124.081 6.606 19548 4263 1 17 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.346 0.633 19548 4264 1 17 . 1 1 3 3 ILE CA C 3 60.021 60.021 60.936 -0.915 19548 4265 1 17 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.043 -1.059 19548 4266 1 17 . 1 1 3 3 ILE H H 3 10.326 10.326 8.331 1.995 19548 4267 1 17 . 1 1 4 4 LEU N N 4 123.391 123.391 124.235 -0.844 19548 4268 1 17 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.712 0.071 19548 4269 1 17 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.808 -1.217 19548 4270 1 17 . 1 1 4 4 LEU CB C 4 46.491 46.491 44.520 1.971 19548 4271 1 17 . 1 1 4 4 LEU H H 4 8.793 8.793 8.241 0.552 19548 4272 1 17 . 1 1 5 5 THR HA H 5 5.491 5.491 4.652 0.839 19548 4273 1 17 . 1 1 5 5 THR CA C 5 61.148 61.148 61.767 -0.619 19548 4274 1 17 . 1 1 5 5 THR CB C 5 69.731 69.731 69.589 0.142 19548 4275 1 17 . 1 1 6 6 ARG N N 6 125.087 125.087 123.715 1.372 19548 4276 1 17 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.658 0.307 19548 4277 1 17 . 1 1 6 6 ARG CA C 6 55.121 55.121 54.865 0.256 19548 4278 1 17 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.110 6.297 19548 4279 1 17 . 1 1 6 6 ARG H H 6 9.367 9.367 8.292 1.075 19548 4280 1 17 . 1 1 7 7 LYS N N 7 123.260 123.260 122.726 0.534 19548 4281 1 17 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.581 0.517 19548 4282 1 17 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.862 -0.613 19548 4283 1 17 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.093 0.162 19548 4284 1 17 . 1 1 7 7 LYS H H 7 9.406 9.406 8.325 1.081 19548 4285 1 17 . 1 1 8 8 VAL N N 8 118.507 118.507 119.455 -0.948 19548 4286 1 17 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.895 -0.588 19548 4287 1 17 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.512 2.465 19548 4288 1 17 . 1 1 8 8 VAL CB C 8 31.572 31.572 29.968 1.604 19548 4289 1 17 . 1 1 8 8 VAL H H 8 7.764 7.764 8.351 -0.587 19548 4290 1 17 . 1 1 9 9 GLY N N 9 116.023 116.023 116.681 -0.658 19548 4291 1 17 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.826 -0.251 19548 4292 1 17 . 1 1 9 9 GLY H H 9 9.238 9.238 9.181 0.057 19548 4293 1 17 . 1 1 10 10 GLU N N 10 119.392 119.392 121.768 -2.376 19548 4294 1 17 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.623 0.269 19548 4295 1 17 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.593 0.165 19548 4296 1 17 . 1 1 10 10 GLU CB C 10 32.841 32.841 31.175 1.665 19548 4297 1 17 . 1 1 10 10 GLU H H 10 8.401 8.401 8.288 0.113 19548 4298 1 17 . 1 1 11 11 SER N N 11 112.280 112.280 113.298 -1.018 19548 4299 1 17 . 1 1 11 11 SER HA H 11 5.870 5.870 5.250 0.620 19548 4300 1 17 . 1 1 11 11 SER CA C 11 57.964 57.964 57.020 0.944 19548 4301 1 17 . 1 1 11 11 SER CB C 11 66.971 66.971 66.197 0.774 19548 4302 1 17 . 1 1 11 11 SER H H 11 8.618 8.618 8.329 0.289 19548 4303 1 17 . 1 1 12 12 ILE N N 12 124.303 124.303 119.944 4.359 19548 4304 1 17 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.492 -0.138 19548 4305 1 17 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.471 0.510 19548 4306 1 17 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.758 -0.003 19548 4307 1 17 . 1 1 12 12 ILE H H 12 9.328 9.328 8.834 0.494 19548 4308 1 17 . 1 1 13 13 ASN N N 13 126.189 126.189 120.984 5.205 19548 4309 1 17 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.191 -0.174 19548 4310 1 17 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.181 1.218 19548 4311 1 17 . 1 1 13 13 ASN CB C 13 41.442 41.442 42.384 -0.942 19548 4312 1 17 . 1 1 13 13 ASN H H 13 9.395 9.395 8.370 1.025 19548 4313 1 17 . 1 1 14 14 ILE N N 14 123.998 123.998 120.125 3.873 19548 4314 1 17 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.448 -0.003 19548 4315 1 17 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.636 -0.097 19548 4316 1 17 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.726 -3.217 19548 4317 1 17 . 1 1 14 14 ILE H H 14 8.455 8.455 8.438 0.017 19548 4318 1 17 . 1 1 15 15 GLY N N 15 115.223 115.223 112.761 2.462 19548 4319 1 17 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.121 -0.173 19548 4320 1 17 . 1 1 15 15 GLY H H 15 9.039 9.039 8.637 0.402 19548 4321 1 17 . 1 1 16 16 ASP N N 16 120.438 120.438 122.771 -2.333 19548 4322 1 17 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.736 0.176 19548 4323 1 17 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.254 1.052 19548 4324 1 17 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.540 0.826 19548 4325 1 17 . 1 1 16 16 ASP H H 16 8.714 8.714 8.371 0.343 19548 4326 1 17 . 1 1 17 17 ASP N N 17 115.581 115.581 119.797 -4.216 19548 4327 1 17 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.840 -0.112 19548 4328 1 17 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.113 0.066 19548 4329 1 17 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.812 -1.279 19548 4330 1 17 . 1 1 17 17 ASP H H 17 8.158 8.158 7.947 0.211 19548 4331 1 17 . 1 1 18 18 ILE N N 18 118.645 118.645 120.329 -1.684 19548 4332 1 17 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.120 0.068 19548 4333 1 17 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.335 -0.250 19548 4334 1 17 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.037 -2.341 19548 4335 1 17 . 1 1 18 18 ILE H H 18 7.180 7.180 7.728 -0.548 19548 4336 1 17 . 1 1 19 19 THR N N 19 122.845 122.845 121.002 1.843 19548 4337 1 17 . 1 1 19 19 THR HA H 19 5.117 5.117 5.072 0.045 19548 4338 1 17 . 1 1 19 19 THR CA C 19 61.009 61.009 61.360 -0.351 19548 4339 1 17 . 1 1 19 19 THR CB C 19 71.661 71.661 72.175 -0.514 19548 4340 1 17 . 1 1 19 19 THR H H 19 8.970 8.970 8.967 0.003 19548 4341 1 17 . 1 1 20 20 ILE N N 20 123.857 123.857 121.486 2.371 19548 4342 1 17 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.884 0.008 19548 4343 1 17 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.096 -0.145 19548 4344 1 17 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.122 -1.784 19548 4345 1 17 . 1 1 20 20 ILE H H 20 8.954 8.954 9.224 -0.270 19548 4346 1 17 . 1 1 21 21 THR N N 21 123.681 123.681 120.597 3.084 19548 4347 1 17 . 1 1 21 21 THR HA H 21 4.840 4.840 4.870 -0.030 19548 4348 1 17 . 1 1 21 21 THR CA C 21 61.503 61.503 62.014 -0.511 19548 4349 1 17 . 1 1 21 21 THR CB C 21 71.965 71.965 71.766 0.199 19548 4350 1 17 . 1 1 21 21 THR H H 21 9.428 9.428 8.691 0.737 19548 4351 1 17 . 1 1 22 22 ILE N N 22 125.758 125.758 127.758 -2.000 19548 4352 1 17 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.312 -0.188 19548 4353 1 17 . 1 1 22 22 ILE CA C 22 59.258 59.258 59.085 0.173 19548 4354 1 17 . 1 1 22 22 ILE CB C 22 33.924 33.924 38.056 -4.132 19548 4355 1 17 . 1 1 22 22 ILE H H 22 8.131 8.131 8.240 -0.109 19548 4356 1 17 . 1 1 23 23 LEU N N 23 129.382 129.382 130.102 -0.720 19548 4357 1 17 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.237 0.282 19548 4358 1 17 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.560 0.014 19548 4359 1 17 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.973 0.413 19548 4360 1 17 . 1 1 23 23 LEU H H 23 8.893 8.893 8.232 0.661 19548 4361 1 17 . 1 1 24 24 GLY N N 24 104.715 104.715 104.905 -0.190 19548 4362 1 17 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.820 1.164 19548 4363 1 17 . 1 1 24 24 GLY H H 24 7.559 7.559 7.571 -0.012 19548 4364 1 17 . 1 1 25 25 VAL N N 25 120.337 120.337 115.170 5.167 19548 4365 1 17 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.949 -0.302 19548 4366 1 17 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.996 2.481 19548 4367 1 17 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.520 0.213 19548 4368 1 17 . 1 1 25 25 VAL H H 25 8.431 8.431 8.345 0.086 19548 4369 1 17 . 1 1 26 26 SER N N 26 121.660 121.660 117.223 4.437 19548 4370 1 17 . 1 1 26 26 SER HA H 26 4.658 4.658 4.588 0.070 19548 4371 1 17 . 1 1 26 26 SER CA C 26 56.395 56.395 58.026 -1.631 19548 4372 1 17 . 1 1 26 26 SER CB C 26 63.731 63.731 63.636 0.095 19548 4373 1 17 . 1 1 26 26 SER H H 26 8.614 8.614 8.879 -0.265 19548 4374 1 17 . 1 1 27 27 GLY N N 27 118.321 118.321 112.590 5.731 19548 4375 1 17 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.684 1.778 19548 4376 1 17 . 1 1 27 27 GLY H H 27 8.916 8.916 8.226 0.690 19548 4377 1 17 . 1 1 28 28 GLN N N 28 124.491 124.491 123.030 1.461 19548 4378 1 17 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.233 0.085 19548 4379 1 17 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.559 -1.454 19548 4380 1 17 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.751 0.987 19548 4381 1 17 . 1 1 28 28 GLN H H 28 8.814 8.814 8.575 0.239 19548 4382 1 17 . 1 1 29 29 GLN N N 29 117.410 117.410 119.643 -2.233 19548 4383 1 17 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.386 0.277 19548 4384 1 17 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.811 -0.427 19548 4385 1 17 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.092 1.278 19548 4386 1 17 . 1 1 29 29 GLN H H 29 8.310 8.310 7.609 0.701 19548 4387 1 17 . 1 1 30 30 VAL N N 30 123.844 123.844 123.205 0.639 19548 4388 1 17 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.437 0.113 19548 4389 1 17 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.319 -0.689 19548 4390 1 17 . 1 1 30 30 VAL CB C 30 34.546 34.546 33.750 0.796 19548 4391 1 17 . 1 1 30 30 VAL H H 30 9.146 9.146 8.394 0.752 19548 4392 1 17 . 1 1 31 31 ARG N N 31 128.326 128.326 128.215 0.111 19548 4393 1 17 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.642 0.009 19548 4394 1 17 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.355 0.401 19548 4395 1 17 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.599 0.248 19548 4396 1 17 . 1 1 31 31 ARG H H 31 8.742 8.742 8.389 0.353 19548 4397 1 17 . 1 1 32 32 ILE N N 32 127.673 127.673 122.423 5.250 19548 4398 1 17 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.864 -0.231 19548 4399 1 17 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.426 0.360 19548 4400 1 17 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.148 -1.444 19548 4401 1 17 . 1 1 32 32 ILE H H 32 9.018 9.018 8.417 0.601 19548 4402 1 17 . 1 1 33 33 GLY N N 33 112.593 112.593 110.931 1.662 19548 4403 1 17 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.851 0.861 19548 4404 1 17 . 1 1 33 33 GLY H H 33 9.193 9.193 8.916 0.277 19548 4405 1 17 . 1 1 34 34 ILE N N 34 125.160 125.160 120.007 5.153 19548 4406 1 17 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.680 0.123 19548 4407 1 17 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.309 0.590 19548 4408 1 17 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.375 -1.270 19548 4409 1 17 . 1 1 34 34 ILE H H 34 9.635 9.635 8.176 1.459 19548 4410 1 17 . 1 1 35 35 ASN N N 35 129.265 129.265 123.936 5.329 19548 4411 1 17 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.993 0.097 19548 4412 1 17 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.584 -0.473 19548 4413 1 17 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.762 -0.586 19548 4414 1 17 . 1 1 35 35 ASN H H 35 9.012 9.012 8.841 0.171 19548 4415 1 17 . 1 1 36 36 ALA N N 36 125.567 125.567 127.783 -2.216 19548 4416 1 17 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.180 -0.120 19548 4417 1 17 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.709 -0.380 19548 4418 1 17 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.969 -0.986 19548 4419 1 17 . 1 1 36 36 ALA H H 36 8.239 8.239 8.165 0.074 19548 4420 1 17 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.567 -0.158 19548 4421 1 17 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.226 0.675 19548 4422 1 17 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.468 -0.070 19548 4423 1 17 . 1 1 38 38 LYS N N 38 121.055 121.055 121.000 0.055 19548 4424 1 17 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.117 -0.346 19548 4425 1 17 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.649 1.188 19548 4426 1 17 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.828 0.024 19548 4427 1 17 . 1 1 38 38 LYS H H 38 8.559 8.559 8.479 0.080 19548 4428 1 17 . 1 1 39 39 ASP N N 39 113.847 113.847 118.743 -4.896 19548 4429 1 17 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.490 -0.149 19548 4430 1 17 . 1 1 39 39 ASP CA C 39 54.031 54.031 54.818 -0.787 19548 4431 1 17 . 1 1 39 39 ASP CB C 39 39.804 39.804 41.060 -1.256 19548 4432 1 17 . 1 1 39 39 ASP H H 39 8.139 8.139 8.249 -0.110 19548 4433 1 17 . 1 1 40 40 VAL N N 40 122.630 122.630 114.280 8.350 19548 4434 1 17 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.491 -0.540 19548 4435 1 17 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.656 2.263 19548 4436 1 17 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.513 -3.631 19548 4437 1 17 . 1 1 40 40 VAL H H 40 8.009 8.009 7.460 0.549 19548 4438 1 17 . 1 1 41 41 ALA N N 41 133.597 133.597 124.107 9.490 19548 4439 1 17 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.965 -0.518 19548 4440 1 17 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.079 1.170 19548 4441 1 17 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.153 -1.066 19548 4442 1 17 . 1 1 41 41 ALA H H 41 8.876 8.876 8.297 0.579 19548 4443 1 17 . 1 1 42 42 VAL N N 42 125.047 125.047 118.222 6.825 19548 4444 1 17 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.448 -0.044 19548 4445 1 17 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.017 -0.430 19548 4446 1 17 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.606 0.038 19548 4447 1 17 . 1 1 42 42 VAL H H 42 7.805 7.805 7.920 -0.115 19548 4448 1 17 . 1 1 43 43 HIS N N 43 118.998 118.998 122.555 -3.557 19548 4449 1 17 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.817 0.664 19548 4450 1 17 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.436 -1.466 19548 4451 1 17 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.355 5.102 19548 4452 1 17 . 1 1 43 43 HIS H H 43 8.657 8.657 8.398 0.259 19548 4453 1 17 . 1 1 44 44 ARG N N 44 122.532 122.532 122.270 0.262 19548 4454 1 17 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.286 -0.357 19548 4455 1 17 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.308 2.093 19548 4456 1 17 . 1 1 44 44 ARG H H 44 8.949 8.949 8.654 0.295 19548 4457 1 17 . 1 1 45 45 GLU N N 45 126.110 126.110 124.350 1.760 19548 4458 1 17 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.044 0.307 19548 4459 1 17 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.584 0.108 19548 4460 1 17 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.628 0.424 19548 4461 1 17 . 1 1 45 45 GLU H H 45 7.878 7.878 9.027 -1.149 19548 4462 1 17 . 1 1 46 46 GLU N N 46 118.207 118.207 118.964 -0.757 19548 4463 1 17 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.186 0.065 19548 4464 1 17 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.511 0.194 19548 4465 1 17 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.238 -2.176 19548 4466 1 17 . 1 1 46 46 GLU H H 46 10.784 10.784 8.570 2.214 19548 4467 1 17 . 1 1 47 47 ILE N N 47 122.316 122.316 119.186 3.130 19548 4468 1 17 . 1 1 47 47 ILE HA H 47 3.827 3.827 4.012 -0.185 19548 4469 1 17 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.703 -0.523 19548 4470 1 17 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.845 -3.128 19548 4471 1 17 . 1 1 47 47 ILE H H 47 7.229 7.229 7.693 -0.464 19548 4472 1 17 . 1 1 48 48 TYR N N 48 122.269 122.269 122.403 -0.134 19548 4473 1 17 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.985 -0.340 19548 4474 1 17 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.917 0.155 19548 4475 1 17 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.186 0.863 19548 4476 1 17 . 1 1 48 48 TYR H H 48 8.124 8.124 8.661 -0.537 19548 4477 1 17 . 1 1 49 49 GLN N N 49 115.409 115.409 116.127 -0.718 19548 4478 1 17 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.960 -0.124 19548 4479 1 17 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.997 0.474 19548 4480 1 17 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.352 -0.168 19548 4481 1 17 . 1 1 49 49 GLN H H 49 8.604 8.604 7.974 0.630 19548 4482 1 17 . 1 1 50 50 ARG N N 50 120.065 120.065 117.773 2.292 19548 4483 1 17 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.272 -0.283 19548 4484 1 17 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.678 1.324 19548 4485 1 17 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.358 0.052 19548 4486 1 17 . 1 1 50 50 ARG H H 50 7.165 7.165 7.784 -0.619 19548 4487 1 17 . 1 1 51 51 ILE N N 51 120.716 120.716 120.435 0.281 19548 4488 1 17 . 1 1 51 51 ILE HA H 51 3.617 3.617 3.757 -0.140 19548 4489 1 17 . 1 1 51 51 ILE CA C 51 64.243 64.243 63.685 0.558 19548 4490 1 17 . 1 1 51 51 ILE CB C 51 38.001 38.001 37.321 0.680 19548 4491 1 17 . 1 1 51 51 ILE H H 51 7.884 7.884 7.351 0.533 19548 4492 1 17 . 1 1 52 52 GLN N N 52 118.921 118.921 117.415 1.506 19548 4493 1 17 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.292 -0.485 19548 4494 1 17 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.320 2.052 19548 4495 1 17 . 1 1 52 52 GLN CB C 52 28.185 28.185 28.438 -0.253 19548 4496 1 17 . 1 1 52 52 GLN H H 52 7.905 7.905 7.534 0.371 19548 4497 1 17 . 1 1 53 53 ALA N N 53 120.638 120.638 119.852 0.786 19548 4498 1 17 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.605 -0.436 19548 4499 1 17 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.289 0.804 19548 4500 1 17 . 1 1 53 53 ALA CB C 53 18.574 18.574 20.735 -2.161 19548 4501 1 17 . 1 1 53 53 ALA H H 53 7.601 7.601 7.645 -0.044 19548 4502 1 17 . 1 1 54 54 GLY N N 54 105.799 105.799 106.512 -0.713 19548 4503 1 17 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.530 -0.013 19548 4504 1 17 . 1 1 54 54 GLY H H 54 7.720 7.720 7.789 -0.069 19548 4505 1 17 . 1 1 55 55 LEU N N 55 120.711 120.711 118.448 2.263 19548 4506 1 17 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.024 0.298 19548 4507 1 17 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.368 -0.112 19548 4508 1 17 . 1 1 55 55 LEU CB C 55 42.263 42.263 41.136 1.127 19548 4509 1 17 . 1 1 55 55 LEU H H 55 7.687 7.687 8.075 -0.388 19548 4510 1 17 . 1 1 56 56 THR N N 56 113.068 113.068 111.143 1.925 19548 4511 1 17 . 1 1 56 56 THR HA H 56 4.245 4.245 4.391 -0.146 19548 4512 1 17 . 1 1 56 56 THR CA C 56 61.383 61.383 62.195 -0.812 19548 4513 1 17 . 1 1 56 56 THR CB C 56 69.836 69.836 69.813 0.023 19548 4514 1 17 . 1 1 56 56 THR H H 56 7.746 7.746 8.039 -0.293 19548 4515 1 17 . 1 1 57 57 ALA N N 57 127.221 127.221 122.924 4.297 19548 4516 1 17 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.679 -0.188 19548 4517 1 17 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.749 -0.209 19548 4518 1 17 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.511 -1.173 19548 4519 1 17 . 1 1 57 57 ALA H H 57 8.065 8.065 7.583 0.482 19548 4520 1 17 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.240 0.075 19548 4521 1 17 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.721 -1.372 19548 4522 1 17 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.095 -0.165 19548 4523 1 18 . 1 1 2 2 LEU N N 2 124.817 124.817 126.395 -1.578 19548 4524 1 18 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.810 -0.329 19548 4525 1 18 . 1 1 2 2 LEU CA C 2 54.502 54.502 55.069 -0.567 19548 4526 1 18 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.454 -0.044 19548 4527 1 18 . 1 1 2 2 LEU H H 2 8.411 8.411 8.476 -0.065 19548 4528 1 18 . 1 1 3 3 ILE N N 3 130.687 130.687 124.518 6.169 19548 4529 1 18 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.377 0.602 19548 4530 1 18 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.052 -1.031 19548 4531 1 18 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.022 -1.038 19548 4532 1 18 . 1 1 3 3 ILE H H 3 10.326 10.326 8.314 2.012 19548 4533 1 18 . 1 1 4 4 LEU N N 4 123.391 123.391 123.857 -0.466 19548 4534 1 18 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.709 0.074 19548 4535 1 18 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.879 -1.288 19548 4536 1 18 . 1 1 4 4 LEU CB C 4 46.491 46.491 44.732 1.759 19548 4537 1 18 . 1 1 4 4 LEU H H 4 8.793 8.793 8.176 0.617 19548 4538 1 18 . 1 1 5 5 THR HA H 5 5.491 5.491 4.624 0.867 19548 4539 1 18 . 1 1 5 5 THR CA C 5 61.148 61.148 61.400 -0.252 19548 4540 1 18 . 1 1 5 5 THR CB C 5 69.731 69.731 69.631 0.100 19548 4541 1 18 . 1 1 6 6 ARG N N 6 125.087 125.087 125.116 -0.029 19548 4542 1 18 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.493 0.472 19548 4543 1 18 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.645 -0.524 19548 4544 1 18 . 1 1 6 6 ARG CB C 6 38.407 38.407 31.741 6.666 19548 4545 1 18 . 1 1 6 6 ARG H H 6 9.367 9.367 8.432 0.935 19548 4546 1 18 . 1 1 7 7 LYS N N 7 123.260 123.260 123.517 -0.257 19548 4547 1 18 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.451 0.647 19548 4548 1 18 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.064 -0.815 19548 4549 1 18 . 1 1 7 7 LYS CB C 7 34.255 34.255 33.584 0.671 19548 4550 1 18 . 1 1 7 7 LYS H H 7 9.406 9.406 8.584 0.822 19548 4551 1 18 . 1 1 8 8 VAL N N 8 118.507 118.507 118.281 0.226 19548 4552 1 18 . 1 1 8 8 VAL HA H 8 3.307 3.307 4.045 -0.738 19548 4553 1 18 . 1 1 8 8 VAL CA C 8 65.977 65.977 62.746 3.231 19548 4554 1 18 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.183 0.389 19548 4555 1 18 . 1 1 8 8 VAL H H 8 7.764 7.764 8.201 -0.437 19548 4556 1 18 . 1 1 9 9 GLY N N 9 116.023 116.023 114.840 1.183 19548 4557 1 18 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.947 -0.372 19548 4558 1 18 . 1 1 9 9 GLY H H 9 9.238 9.238 9.149 0.089 19548 4559 1 18 . 1 1 10 10 GLU N N 10 119.392 119.392 119.738 -0.346 19548 4560 1 18 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.905 -0.013 19548 4561 1 18 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.006 1.752 19548 4562 1 18 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.374 0.467 19548 4563 1 18 . 1 1 10 10 GLU H H 10 8.401 8.401 7.911 0.490 19548 4564 1 18 . 1 1 11 11 SER N N 11 112.280 112.280 113.218 -0.938 19548 4565 1 18 . 1 1 11 11 SER HA H 11 5.870 5.870 5.335 0.535 19548 4566 1 18 . 1 1 11 11 SER CA C 11 57.964 57.964 57.298 0.666 19548 4567 1 18 . 1 1 11 11 SER CB C 11 66.971 66.971 66.450 0.521 19548 4568 1 18 . 1 1 11 11 SER H H 11 8.618 8.618 8.372 0.246 19548 4569 1 18 . 1 1 12 12 ILE N N 12 124.303 124.303 120.331 3.972 19548 4570 1 18 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.617 -0.263 19548 4571 1 18 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.341 0.640 19548 4572 1 18 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.791 -0.036 19548 4573 1 18 . 1 1 12 12 ILE H H 12 9.328 9.328 8.961 0.367 19548 4574 1 18 . 1 1 13 13 ASN N N 13 126.189 126.189 120.626 5.563 19548 4575 1 18 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.035 -0.018 19548 4576 1 18 . 1 1 13 13 ASN CA C 13 53.399 53.399 51.952 1.447 19548 4577 1 18 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.705 -0.263 19548 4578 1 18 . 1 1 13 13 ASN H H 13 9.395 9.395 8.363 1.032 19548 4579 1 18 . 1 1 14 14 ILE N N 14 123.998 123.998 122.079 1.919 19548 4580 1 18 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.430 0.015 19548 4581 1 18 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.728 -0.189 19548 4582 1 18 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.678 -3.169 19548 4583 1 18 . 1 1 14 14 ILE H H 14 8.455 8.455 8.456 -0.001 19548 4584 1 18 . 1 1 15 15 GLY N N 15 115.223 115.223 113.077 2.146 19548 4585 1 18 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.152 -0.204 19548 4586 1 18 . 1 1 15 15 GLY H H 15 9.039 9.039 8.623 0.416 19548 4587 1 18 . 1 1 16 16 ASP N N 16 120.438 120.438 122.379 -1.941 19548 4588 1 18 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.739 0.173 19548 4589 1 18 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.333 0.973 19548 4590 1 18 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.840 0.526 19548 4591 1 18 . 1 1 16 16 ASP H H 16 8.714 8.714 8.432 0.282 19548 4592 1 18 . 1 1 17 17 ASP N N 17 115.581 115.581 119.721 -4.140 19548 4593 1 18 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.837 -0.109 19548 4594 1 18 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.123 0.056 19548 4595 1 18 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.872 -1.339 19548 4596 1 18 . 1 1 17 17 ASP H H 17 8.158 8.158 7.918 0.240 19548 4597 1 18 . 1 1 18 18 ILE N N 18 118.645 118.645 120.030 -1.385 19548 4598 1 18 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.066 0.122 19548 4599 1 18 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.058 0.027 19548 4600 1 18 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.298 -2.602 19548 4601 1 18 . 1 1 18 18 ILE H H 18 7.180 7.180 7.751 -0.571 19548 4602 1 18 . 1 1 19 19 THR N N 19 122.845 122.845 120.424 2.421 19548 4603 1 18 . 1 1 19 19 THR HA H 19 5.117 5.117 4.990 0.127 19548 4604 1 18 . 1 1 19 19 THR CA C 19 61.009 61.009 61.324 -0.315 19548 4605 1 18 . 1 1 19 19 THR CB C 19 71.661 71.661 72.367 -0.706 19548 4606 1 18 . 1 1 19 19 THR H H 19 8.970 8.970 8.761 0.209 19548 4607 1 18 . 1 1 20 20 ILE N N 20 123.857 123.857 121.829 2.028 19548 4608 1 18 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.878 0.014 19548 4609 1 18 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.278 -0.327 19548 4610 1 18 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.959 -1.621 19548 4611 1 18 . 1 1 20 20 ILE H H 20 8.954 8.954 9.084 -0.130 19548 4612 1 18 . 1 1 21 21 THR N N 21 123.681 123.681 119.405 4.276 19548 4613 1 18 . 1 1 21 21 THR HA H 21 4.840 4.840 4.992 -0.152 19548 4614 1 18 . 1 1 21 21 THR CA C 21 61.503 61.503 61.364 0.139 19548 4615 1 18 . 1 1 21 21 THR CB C 21 71.965 71.965 72.204 -0.239 19548 4616 1 18 . 1 1 21 21 THR H H 21 9.428 9.428 8.850 0.578 19548 4617 1 18 . 1 1 22 22 ILE N N 22 125.758 125.758 126.625 -0.867 19548 4618 1 18 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.561 -0.437 19548 4619 1 18 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.226 1.032 19548 4620 1 18 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.895 -3.971 19548 4621 1 18 . 1 1 22 22 ILE H H 22 8.131 8.131 8.511 -0.380 19548 4622 1 18 . 1 1 23 23 LEU N N 23 129.382 129.382 127.744 1.638 19548 4623 1 18 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.274 0.245 19548 4624 1 18 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.206 -0.632 19548 4625 1 18 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.632 0.754 19548 4626 1 18 . 1 1 23 23 LEU H H 23 8.893 8.893 8.252 0.641 19548 4627 1 18 . 1 1 24 24 GLY N N 24 104.715 104.715 104.837 -0.122 19548 4628 1 18 . 1 1 24 24 GLY CA C 24 45.984 45.984 45.100 0.884 19548 4629 1 18 . 1 1 24 24 GLY H H 24 7.559 7.559 7.487 0.072 19548 4630 1 18 . 1 1 25 25 VAL N N 25 120.337 120.337 119.137 1.200 19548 4631 1 18 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.705 -0.058 19548 4632 1 18 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.751 0.727 19548 4633 1 18 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.324 0.409 19548 4634 1 18 . 1 1 25 25 VAL H H 25 8.431 8.431 8.344 0.087 19548 4635 1 18 . 1 1 26 26 SER N N 26 121.660 121.660 123.854 -2.194 19548 4636 1 18 . 1 1 26 26 SER HA H 26 4.658 4.658 4.677 -0.019 19548 4637 1 18 . 1 1 26 26 SER CA C 26 56.395 56.395 58.056 -1.661 19548 4638 1 18 . 1 1 26 26 SER CB C 26 63.731 63.731 65.328 -1.597 19548 4639 1 18 . 1 1 26 26 SER H H 26 8.614 8.614 8.717 -0.103 19548 4640 1 18 . 1 1 27 27 GLY N N 27 118.321 118.321 113.534 4.787 19548 4641 1 18 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.569 1.893 19548 4642 1 18 . 1 1 27 27 GLY H H 27 8.916 8.916 8.421 0.495 19548 4643 1 18 . 1 1 28 28 GLN N N 28 124.491 124.491 120.257 4.234 19548 4644 1 18 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.273 0.045 19548 4645 1 18 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.182 -1.077 19548 4646 1 18 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.862 0.876 19548 4647 1 18 . 1 1 28 28 GLN H H 28 8.814 8.814 8.465 0.349 19548 4648 1 18 . 1 1 29 29 GLN N N 29 117.410 117.410 119.967 -2.557 19548 4649 1 18 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.381 0.282 19548 4650 1 18 . 1 1 29 29 GLN CA C 29 55.384 55.384 56.588 -1.204 19548 4651 1 18 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.279 1.091 19548 4652 1 18 . 1 1 29 29 GLN H H 29 8.310 8.310 7.633 0.677 19548 4653 1 18 . 1 1 30 30 VAL N N 30 123.844 123.844 122.557 1.287 19548 4654 1 18 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.404 0.146 19548 4655 1 18 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.629 -0.999 19548 4656 1 18 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.367 0.179 19548 4657 1 18 . 1 1 30 30 VAL H H 30 9.146 9.146 8.379 0.767 19548 4658 1 18 . 1 1 31 31 ARG N N 31 128.326 128.326 128.182 0.144 19548 4659 1 18 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.569 0.083 19548 4660 1 18 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.637 0.118 19548 4661 1 18 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.561 0.285 19548 4662 1 18 . 1 1 31 31 ARG H H 31 8.742 8.742 8.022 0.720 19548 4663 1 18 . 1 1 32 32 ILE N N 32 127.673 127.673 122.570 5.103 19548 4664 1 18 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.794 -0.161 19548 4665 1 18 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.521 0.265 19548 4666 1 18 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.275 -1.571 19548 4667 1 18 . 1 1 32 32 ILE H H 32 9.018 9.018 8.374 0.644 19548 4668 1 18 . 1 1 33 33 GLY N N 33 112.593 112.593 111.364 1.229 19548 4669 1 18 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.863 0.849 19548 4670 1 18 . 1 1 33 33 GLY H H 33 9.193 9.193 8.877 0.316 19548 4671 1 18 . 1 1 34 34 ILE N N 34 125.160 125.160 120.773 4.387 19548 4672 1 18 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.762 0.041 19548 4673 1 18 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.282 0.616 19548 4674 1 18 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.500 -1.395 19548 4675 1 18 . 1 1 34 34 ILE H H 34 9.635 9.635 8.202 1.433 19548 4676 1 18 . 1 1 35 35 ASN N N 35 129.265 129.265 124.067 5.198 19548 4677 1 18 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.970 0.120 19548 4678 1 18 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.908 -0.797 19548 4679 1 18 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.772 -0.596 19548 4680 1 18 . 1 1 35 35 ASN H H 35 9.012 9.012 8.743 0.269 19548 4681 1 18 . 1 1 36 36 ALA N N 36 125.567 125.567 127.559 -1.992 19548 4682 1 18 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.145 -0.085 19548 4683 1 18 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.759 -0.430 19548 4684 1 18 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.920 -0.937 19548 4685 1 18 . 1 1 36 36 ALA H H 36 8.239 8.239 8.126 0.113 19548 4686 1 18 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.607 -0.198 19548 4687 1 18 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.228 0.673 19548 4688 1 18 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.205 0.195 19548 4689 1 18 . 1 1 38 38 LYS N N 38 121.055 121.055 120.704 0.351 19548 4690 1 18 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.128 -0.357 19548 4691 1 18 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.455 1.382 19548 4692 1 18 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.711 0.141 19548 4693 1 18 . 1 1 38 38 LYS H H 38 8.559 8.559 8.480 0.079 19548 4694 1 18 . 1 1 39 39 ASP N N 39 113.847 113.847 118.502 -4.655 19548 4695 1 18 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.490 -0.149 19548 4696 1 18 . 1 1 39 39 ASP CA C 39 54.031 54.031 54.752 -0.721 19548 4697 1 18 . 1 1 39 39 ASP CB C 39 39.804 39.804 41.063 -1.259 19548 4698 1 18 . 1 1 39 39 ASP H H 39 8.139 8.139 8.246 -0.107 19548 4699 1 18 . 1 1 40 40 VAL N N 40 122.630 122.630 114.115 8.515 19548 4700 1 18 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.493 -0.542 19548 4701 1 18 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.692 2.226 19548 4702 1 18 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.622 -3.741 19548 4703 1 18 . 1 1 40 40 VAL H H 40 8.009 8.009 7.377 0.632 19548 4704 1 18 . 1 1 41 41 ALA N N 41 133.597 133.597 124.434 9.163 19548 4705 1 18 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.920 -0.473 19548 4706 1 18 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.229 1.020 19548 4707 1 18 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.342 -1.255 19548 4708 1 18 . 1 1 41 41 ALA H H 41 8.876 8.876 8.256 0.620 19548 4709 1 18 . 1 1 42 42 VAL N N 42 125.047 125.047 118.409 6.638 19548 4710 1 18 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.291 0.113 19548 4711 1 18 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.168 -0.581 19548 4712 1 18 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.493 0.151 19548 4713 1 18 . 1 1 42 42 VAL H H 42 7.805 7.805 7.795 0.010 19548 4714 1 18 . 1 1 43 43 HIS N N 43 118.998 118.998 122.269 -3.271 19548 4715 1 18 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.792 0.689 19548 4716 1 18 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.215 -1.245 19548 4717 1 18 . 1 1 43 43 HIS CB C 43 37.457 37.457 31.911 5.546 19548 4718 1 18 . 1 1 43 43 HIS H H 43 8.657 8.657 8.144 0.513 19548 4719 1 18 . 1 1 44 44 ARG N N 44 122.532 122.532 122.526 0.006 19548 4720 1 18 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.232 -0.303 19548 4721 1 18 . 1 1 44 44 ARG CA C 44 58.401 58.401 55.968 2.433 19548 4722 1 18 . 1 1 44 44 ARG H H 44 8.949 8.949 8.673 0.276 19548 4723 1 18 . 1 1 45 45 GLU N N 45 126.110 126.110 125.189 0.921 19548 4724 1 18 . 1 1 45 45 GLU HA H 45 4.351 4.351 3.996 0.355 19548 4725 1 18 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.960 -0.268 19548 4726 1 18 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.613 0.440 19548 4727 1 18 . 1 1 45 45 GLU H H 45 7.878 7.878 8.938 -1.060 19548 4728 1 18 . 1 1 46 46 GLU N N 46 118.207 118.207 118.347 -0.140 19548 4729 1 18 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.168 0.083 19548 4730 1 18 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.019 -0.314 19548 4731 1 18 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.247 -2.186 19548 4732 1 18 . 1 1 46 46 GLU H H 46 10.784 10.784 8.562 2.222 19548 4733 1 18 . 1 1 47 47 ILE N N 47 122.316 122.316 119.045 3.271 19548 4734 1 18 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.903 -0.076 19548 4735 1 18 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.697 -1.517 19548 4736 1 18 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.808 -3.091 19548 4737 1 18 . 1 1 47 47 ILE H H 47 7.229 7.229 7.329 -0.100 19548 4738 1 18 . 1 1 48 48 TYR N N 48 122.269 122.269 121.970 0.299 19548 4739 1 18 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.983 -0.338 19548 4740 1 18 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.911 0.161 19548 4741 1 18 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.150 0.899 19548 4742 1 18 . 1 1 48 48 TYR H H 48 8.124 8.124 8.629 -0.505 19548 4743 1 18 . 1 1 49 49 GLN N N 49 115.409 115.409 115.019 0.390 19548 4744 1 18 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.941 -0.105 19548 4745 1 18 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.977 0.494 19548 4746 1 18 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.401 -0.218 19548 4747 1 18 . 1 1 49 49 GLN H H 49 8.604 8.604 7.979 0.625 19548 4748 1 18 . 1 1 50 50 ARG N N 50 120.065 120.065 116.133 3.932 19548 4749 1 18 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.247 -0.258 19548 4750 1 18 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.635 2.367 19548 4751 1 18 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.319 0.092 19548 4752 1 18 . 1 1 50 50 ARG H H 50 7.165 7.165 7.556 -0.391 19548 4753 1 18 . 1 1 51 51 ILE N N 51 120.716 120.716 118.391 2.325 19548 4754 1 18 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.062 -0.445 19548 4755 1 18 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.363 1.880 19548 4756 1 18 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.020 -1.019 19548 4757 1 18 . 1 1 51 51 ILE H H 51 7.884 7.884 7.528 0.356 19548 4758 1 18 . 1 1 52 52 GLN N N 52 118.921 118.921 118.782 0.139 19548 4759 1 18 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.086 -0.279 19548 4760 1 18 . 1 1 52 52 GLN CA C 52 57.372 57.372 55.561 1.811 19548 4761 1 18 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.241 0.944 19548 4762 1 18 . 1 1 52 52 GLN H H 52 7.905 7.905 7.892 0.013 19548 4763 1 18 . 1 1 53 53 ALA N N 53 120.638 120.638 121.185 -0.547 19548 4764 1 18 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.119 0.050 19548 4765 1 18 . 1 1 53 53 ALA CA C 53 53.093 53.093 53.221 -0.129 19548 4766 1 18 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.916 -0.342 19548 4767 1 18 . 1 1 53 53 ALA H H 53 7.601 7.601 8.010 -0.409 19548 4768 1 18 . 1 1 54 54 GLY N N 54 105.799 105.799 103.986 1.813 19548 4769 1 18 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.995 0.522 19548 4770 1 18 . 1 1 54 54 GLY H H 54 7.720 7.720 7.874 -0.154 19548 4771 1 18 . 1 1 55 55 LEU N N 55 120.711 120.711 116.118 4.593 19548 4772 1 18 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.807 -0.485 19548 4773 1 18 . 1 1 55 55 LEU CA C 55 55.256 55.256 55.140 0.116 19548 4774 1 18 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.843 -0.580 19548 4775 1 18 . 1 1 55 55 LEU H H 55 7.687 7.687 7.570 0.117 19548 4776 1 18 . 1 1 56 56 THR N N 56 113.068 113.068 116.029 -2.961 19548 4777 1 18 . 1 1 56 56 THR HA H 56 4.245 4.245 3.874 0.371 19548 4778 1 18 . 1 1 56 56 THR CA C 56 61.383 61.383 63.761 -2.378 19548 4779 1 18 . 1 1 56 56 THR CB C 56 69.836 69.836 66.903 2.933 19548 4780 1 18 . 1 1 56 56 THR H H 56 7.746 7.746 7.986 -0.240 19548 4781 1 18 . 1 1 57 57 ALA N N 57 127.221 127.221 121.114 6.107 19548 4782 1 18 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.560 -0.069 19548 4783 1 18 . 1 1 57 57 ALA CA C 57 50.540 50.540 49.735 0.805 19548 4784 1 18 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.659 -1.321 19548 4785 1 18 . 1 1 57 57 ALA H H 57 8.065 8.065 7.531 0.534 19548 4786 1 18 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.171 0.144 19548 4787 1 18 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.158 -0.809 19548 4788 1 18 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.111 -0.181 19548 4789 1 19 . 1 1 2 2 LEU N N 2 124.817 124.817 124.664 0.153 19548 4790 1 19 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.849 -0.368 19548 4791 1 19 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.502 -0.000 19548 4792 1 19 . 1 1 2 2 LEU CB C 2 42.410 42.410 43.194 -0.784 19548 4793 1 19 . 1 1 2 2 LEU H H 2 8.411 8.411 8.542 -0.131 19548 4794 1 19 . 1 1 3 3 ILE N N 3 130.687 130.687 124.708 5.979 19548 4795 1 19 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.332 0.647 19548 4796 1 19 . 1 1 3 3 ILE CA C 3 60.021 60.021 60.994 -0.973 19548 4797 1 19 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.773 -0.789 19548 4798 1 19 . 1 1 3 3 ILE H H 3 10.326 10.326 8.277 2.049 19548 4799 1 19 . 1 1 4 4 LEU N N 4 123.391 123.391 123.914 -0.523 19548 4800 1 19 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.771 0.012 19548 4801 1 19 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.836 -1.245 19548 4802 1 19 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.262 3.229 19548 4803 1 19 . 1 1 4 4 LEU H H 4 8.793 8.793 8.082 0.711 19548 4804 1 19 . 1 1 5 5 THR HA H 5 5.491 5.491 4.732 0.759 19548 4805 1 19 . 1 1 5 5 THR CA C 5 61.148 61.148 61.666 -0.518 19548 4806 1 19 . 1 1 5 5 THR CB C 5 69.731 69.731 70.081 -0.350 19548 4807 1 19 . 1 1 6 6 ARG N N 6 125.087 125.087 121.090 3.997 19548 4808 1 19 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.475 0.490 19548 4809 1 19 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.602 -0.481 19548 4810 1 19 . 1 1 6 6 ARG CB C 6 38.407 38.407 31.935 6.472 19548 4811 1 19 . 1 1 6 6 ARG H H 6 9.367 9.367 8.259 1.108 19548 4812 1 19 . 1 1 7 7 LYS N N 7 123.260 123.260 123.060 0.200 19548 4813 1 19 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.724 0.374 19548 4814 1 19 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.062 -0.813 19548 4815 1 19 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.592 -0.337 19548 4816 1 19 . 1 1 7 7 LYS H H 7 9.406 9.406 8.291 1.115 19548 4817 1 19 . 1 1 8 8 VAL N N 8 118.507 118.507 119.100 -0.593 19548 4818 1 19 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.913 -0.606 19548 4819 1 19 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.388 2.589 19548 4820 1 19 . 1 1 8 8 VAL CB C 8 31.572 31.572 31.059 0.513 19548 4821 1 19 . 1 1 8 8 VAL H H 8 7.764 7.764 8.343 -0.579 19548 4822 1 19 . 1 1 9 9 GLY N N 9 116.023 116.023 115.463 0.560 19548 4823 1 19 . 1 1 9 9 GLY CA C 9 44.575 44.575 45.072 -0.497 19548 4824 1 19 . 1 1 9 9 GLY H H 9 9.238 9.238 9.195 0.043 19548 4825 1 19 . 1 1 10 10 GLU N N 10 119.392 119.392 121.057 -1.665 19548 4826 1 19 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.733 0.159 19548 4827 1 19 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.800 0.958 19548 4828 1 19 . 1 1 10 10 GLU CB C 10 32.841 32.841 31.460 1.381 19548 4829 1 19 . 1 1 10 10 GLU H H 10 8.401 8.401 7.827 0.574 19548 4830 1 19 . 1 1 11 11 SER N N 11 112.280 112.280 112.667 -0.387 19548 4831 1 19 . 1 1 11 11 SER HA H 11 5.870 5.870 5.303 0.567 19548 4832 1 19 . 1 1 11 11 SER CA C 11 57.964 57.964 57.212 0.752 19548 4833 1 19 . 1 1 11 11 SER CB C 11 66.971 66.971 66.261 0.710 19548 4834 1 19 . 1 1 11 11 SER H H 11 8.618 8.618 8.316 0.302 19548 4835 1 19 . 1 1 12 12 ILE N N 12 124.303 124.303 119.590 4.713 19548 4836 1 19 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.406 -0.052 19548 4837 1 19 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.651 -0.670 19548 4838 1 19 . 1 1 12 12 ILE CB C 12 42.755 42.755 43.210 -0.455 19548 4839 1 19 . 1 1 12 12 ILE H H 12 9.328 9.328 8.806 0.522 19548 4840 1 19 . 1 1 13 13 ASN N N 13 126.189 126.189 120.306 5.883 19548 4841 1 19 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.020 -0.003 19548 4842 1 19 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.648 0.751 19548 4843 1 19 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.766 -0.324 19548 4844 1 19 . 1 1 13 13 ASN H H 13 9.395 9.395 8.451 0.944 19548 4845 1 19 . 1 1 14 14 ILE N N 14 123.998 123.998 120.651 3.347 19548 4846 1 19 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.482 -0.037 19548 4847 1 19 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.586 -0.047 19548 4848 1 19 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.676 -3.167 19548 4849 1 19 . 1 1 14 14 ILE H H 14 8.455 8.455 8.359 0.096 19548 4850 1 19 . 1 1 15 15 GLY N N 15 115.223 115.223 112.686 2.537 19548 4851 1 19 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.114 -0.166 19548 4852 1 19 . 1 1 15 15 GLY H H 15 9.039 9.039 8.624 0.415 19548 4853 1 19 . 1 1 16 16 ASP N N 16 120.438 120.438 122.657 -2.219 19548 4854 1 19 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.732 0.180 19548 4855 1 19 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.269 1.037 19548 4856 1 19 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.504 0.862 19548 4857 1 19 . 1 1 16 16 ASP H H 16 8.714 8.714 8.380 0.334 19548 4858 1 19 . 1 1 17 17 ASP N N 17 115.581 115.581 119.785 -4.204 19548 4859 1 19 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.844 -0.116 19548 4860 1 19 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.049 0.130 19548 4861 1 19 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.723 -1.190 19548 4862 1 19 . 1 1 17 17 ASP H H 17 8.158 8.158 8.026 0.132 19548 4863 1 19 . 1 1 18 18 ILE N N 18 118.645 118.645 120.205 -1.560 19548 4864 1 19 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.118 0.070 19548 4865 1 19 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.275 -0.190 19548 4866 1 19 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.050 -2.354 19548 4867 1 19 . 1 1 18 18 ILE H H 18 7.180 7.180 7.680 -0.500 19548 4868 1 19 . 1 1 19 19 THR N N 19 122.845 122.845 121.120 1.725 19548 4869 1 19 . 1 1 19 19 THR HA H 19 5.117 5.117 4.938 0.179 19548 4870 1 19 . 1 1 19 19 THR CA C 19 61.009 61.009 61.475 -0.466 19548 4871 1 19 . 1 1 19 19 THR CB C 19 71.661 71.661 72.087 -0.426 19548 4872 1 19 . 1 1 19 19 THR H H 19 8.970 8.970 8.903 0.067 19548 4873 1 19 . 1 1 20 20 ILE N N 20 123.857 123.857 122.116 1.741 19548 4874 1 19 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.910 -0.018 19548 4875 1 19 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.039 -0.088 19548 4876 1 19 . 1 1 20 20 ILE CB C 20 40.338 40.338 42.092 -1.754 19548 4877 1 19 . 1 1 20 20 ILE H H 20 8.954 8.954 9.032 -0.078 19548 4878 1 19 . 1 1 21 21 THR N N 21 123.681 123.681 119.337 4.344 19548 4879 1 19 . 1 1 21 21 THR HA H 21 4.840 4.840 4.895 -0.055 19548 4880 1 19 . 1 1 21 21 THR CA C 21 61.503 61.503 61.294 0.209 19548 4881 1 19 . 1 1 21 21 THR CB C 21 71.965 71.965 72.292 -0.327 19548 4882 1 19 . 1 1 21 21 THR H H 21 9.428 9.428 8.771 0.657 19548 4883 1 19 . 1 1 22 22 ILE N N 22 125.758 125.758 126.685 -0.927 19548 4884 1 19 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.534 -0.410 19548 4885 1 19 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.323 0.935 19548 4886 1 19 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.881 -3.957 19548 4887 1 19 . 1 1 22 22 ILE H H 22 8.131 8.131 8.334 -0.203 19548 4888 1 19 . 1 1 23 23 LEU N N 23 129.382 129.382 128.722 0.660 19548 4889 1 19 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.222 0.297 19548 4890 1 19 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.956 -0.382 19548 4891 1 19 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.807 0.579 19548 4892 1 19 . 1 1 23 23 LEU H H 23 8.893 8.893 8.171 0.722 19548 4893 1 19 . 1 1 24 24 GLY N N 24 104.715 104.715 104.911 -0.196 19548 4894 1 19 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.920 1.064 19548 4895 1 19 . 1 1 24 24 GLY H H 24 7.559 7.559 7.541 0.018 19548 4896 1 19 . 1 1 25 25 VAL N N 25 120.337 120.337 115.488 4.849 19548 4897 1 19 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.887 -0.240 19548 4898 1 19 . 1 1 25 25 VAL CA C 25 61.477 61.477 58.959 2.518 19548 4899 1 19 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.897 -0.164 19548 4900 1 19 . 1 1 25 25 VAL H H 25 8.431 8.431 8.308 0.123 19548 4901 1 19 . 1 1 26 26 SER N N 26 121.660 121.660 117.188 4.472 19548 4902 1 19 . 1 1 26 26 SER HA H 26 4.658 4.658 4.620 0.038 19548 4903 1 19 . 1 1 26 26 SER CA C 26 56.395 56.395 58.021 -1.626 19548 4904 1 19 . 1 1 26 26 SER CB C 26 63.731 63.731 63.725 0.006 19548 4905 1 19 . 1 1 26 26 SER H H 26 8.614 8.614 8.780 -0.166 19548 4906 1 19 . 1 1 27 27 GLY N N 27 118.321 118.321 113.019 5.302 19548 4907 1 19 . 1 1 27 27 GLY CA C 27 47.462 47.462 46.449 1.013 19548 4908 1 19 . 1 1 27 27 GLY H H 27 8.916 8.916 8.416 0.500 19548 4909 1 19 . 1 1 28 28 GLN N N 28 124.491 124.491 123.904 0.587 19548 4910 1 19 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.403 -0.085 19548 4911 1 19 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.059 -0.955 19548 4912 1 19 . 1 1 28 28 GLN CB C 28 29.738 29.738 29.299 0.439 19548 4913 1 19 . 1 1 28 28 GLN H H 28 8.814 8.814 8.555 0.259 19548 4914 1 19 . 1 1 29 29 GLN N N 29 117.410 117.410 119.458 -2.048 19548 4915 1 19 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.404 0.259 19548 4916 1 19 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.557 -0.173 19548 4917 1 19 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.181 1.188 19548 4918 1 19 . 1 1 29 29 GLN H H 29 8.310 8.310 7.691 0.619 19548 4919 1 19 . 1 1 30 30 VAL N N 30 123.844 123.844 121.170 2.674 19548 4920 1 19 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.517 0.033 19548 4921 1 19 . 1 1 30 30 VAL CA C 30 60.630 60.630 60.997 -0.367 19548 4922 1 19 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.372 0.174 19548 4923 1 19 . 1 1 30 30 VAL H H 30 9.146 9.146 8.307 0.839 19548 4924 1 19 . 1 1 31 31 ARG N N 31 128.326 128.326 128.493 -0.167 19548 4925 1 19 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.599 0.052 19548 4926 1 19 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.537 0.218 19548 4927 1 19 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.550 0.296 19548 4928 1 19 . 1 1 31 31 ARG H H 31 8.742 8.742 8.374 0.367 19548 4929 1 19 . 1 1 32 32 ILE N N 32 127.673 127.673 123.239 4.434 19548 4930 1 19 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.841 -0.208 19548 4931 1 19 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.392 0.395 19548 4932 1 19 . 1 1 32 32 ILE CB C 32 40.704 40.704 41.968 -1.264 19548 4933 1 19 . 1 1 32 32 ILE H H 32 9.018 9.018 8.425 0.593 19548 4934 1 19 . 1 1 33 33 GLY N N 33 112.593 112.593 111.300 1.293 19548 4935 1 19 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.899 0.813 19548 4936 1 19 . 1 1 33 33 GLY H H 33 9.193 9.193 8.872 0.321 19548 4937 1 19 . 1 1 34 34 ILE N N 34 125.160 125.160 120.218 4.942 19548 4938 1 19 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.738 0.065 19548 4939 1 19 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.323 0.575 19548 4940 1 19 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.503 -1.398 19548 4941 1 19 . 1 1 34 34 ILE H H 34 9.635 9.635 8.196 1.439 19548 4942 1 19 . 1 1 35 35 ASN N N 35 129.265 129.265 123.887 5.378 19548 4943 1 19 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.980 0.110 19548 4944 1 19 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.777 -0.666 19548 4945 1 19 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.965 -0.789 19548 4946 1 19 . 1 1 35 35 ASN H H 35 9.012 9.012 8.824 0.188 19548 4947 1 19 . 1 1 36 36 ALA N N 36 125.567 125.567 127.828 -2.261 19548 4948 1 19 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.175 -0.115 19548 4949 1 19 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.673 -0.344 19548 4950 1 19 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.968 -0.985 19548 4951 1 19 . 1 1 36 36 ALA H H 36 8.239 8.239 8.158 0.081 19548 4952 1 19 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.559 -0.150 19548 4953 1 19 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.236 0.665 19548 4954 1 19 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.464 -0.065 19548 4955 1 19 . 1 1 38 38 LYS N N 38 121.055 121.055 121.088 -0.033 19548 4956 1 19 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.258 -0.487 19548 4957 1 19 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.641 1.196 19548 4958 1 19 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.887 -0.035 19548 4959 1 19 . 1 1 38 38 LYS H H 38 8.559 8.559 8.562 -0.003 19548 4960 1 19 . 1 1 39 39 ASP N N 39 113.847 113.847 119.150 -5.303 19548 4961 1 19 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.490 -0.149 19548 4962 1 19 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.162 -1.131 19548 4963 1 19 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.902 -1.098 19548 4964 1 19 . 1 1 39 39 ASP H H 39 8.139 8.139 8.417 -0.278 19548 4965 1 19 . 1 1 40 40 VAL N N 40 122.630 122.630 114.697 7.933 19548 4966 1 19 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.481 -0.530 19548 4967 1 19 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.753 2.165 19548 4968 1 19 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.198 -3.317 19548 4969 1 19 . 1 1 40 40 VAL H H 40 8.009 8.009 7.431 0.578 19548 4970 1 19 . 1 1 41 41 ALA N N 41 133.597 133.597 123.145 10.452 19548 4971 1 19 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.869 -0.422 19548 4972 1 19 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.312 0.937 19548 4973 1 19 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.552 -1.465 19548 4974 1 19 . 1 1 41 41 ALA H H 41 8.876 8.876 8.137 0.739 19548 4975 1 19 . 1 1 42 42 VAL N N 42 125.047 125.047 116.967 8.080 19548 4976 1 19 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.371 0.033 19548 4977 1 19 . 1 1 42 42 VAL CA C 42 60.587 60.587 62.049 -1.462 19548 4978 1 19 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.446 0.198 19548 4979 1 19 . 1 1 42 42 VAL H H 42 7.805 7.805 7.818 -0.013 19548 4980 1 19 . 1 1 43 43 HIS N N 43 118.998 118.998 122.962 -3.964 19548 4981 1 19 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.754 0.727 19548 4982 1 19 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.194 -1.224 19548 4983 1 19 . 1 1 43 43 HIS CB C 43 37.457 37.457 31.903 5.554 19548 4984 1 19 . 1 1 43 43 HIS H H 43 8.657 8.657 8.219 0.438 19548 4985 1 19 . 1 1 44 44 ARG N N 44 122.532 122.532 121.139 1.393 19548 4986 1 19 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.297 -0.368 19548 4987 1 19 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.217 2.184 19548 4988 1 19 . 1 1 44 44 ARG H H 44 8.949 8.949 8.715 0.234 19548 4989 1 19 . 1 1 45 45 GLU N N 45 126.110 126.110 122.003 4.107 19548 4990 1 19 . 1 1 45 45 GLU HA H 45 4.351 4.351 3.998 0.353 19548 4991 1 19 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.691 0.001 19548 4992 1 19 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.786 0.266 19548 4993 1 19 . 1 1 45 45 GLU H H 45 7.878 7.878 8.960 -1.082 19548 4994 1 19 . 1 1 46 46 GLU N N 46 118.207 118.207 119.027 -0.820 19548 4995 1 19 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.216 0.035 19548 4996 1 19 . 1 1 46 46 GLU CA C 46 58.705 58.705 59.004 -0.299 19548 4997 1 19 . 1 1 46 46 GLU CB C 46 27.062 27.062 28.902 -1.840 19548 4998 1 19 . 1 1 46 46 GLU H H 46 10.784 10.784 8.688 2.096 19548 4999 1 19 . 1 1 47 47 ILE N N 47 122.316 122.316 120.048 2.268 19548 5000 1 19 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.863 -0.036 19548 5001 1 19 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.949 -1.769 19548 5002 1 19 . 1 1 47 47 ILE CB C 47 34.717 34.717 36.305 -1.588 19548 5003 1 19 . 1 1 47 47 ILE H H 47 7.229 7.229 8.097 -0.868 19548 5004 1 19 . 1 1 48 48 TYR N N 48 122.269 122.269 121.664 0.605 19548 5005 1 19 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.091 -0.446 19548 5006 1 19 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.771 0.301 19548 5007 1 19 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.244 0.805 19548 5008 1 19 . 1 1 48 48 TYR H H 48 8.124 8.124 8.633 -0.509 19548 5009 1 19 . 1 1 49 49 GLN N N 49 115.409 115.409 116.626 -1.217 19548 5010 1 19 . 1 1 49 49 GLN HA H 49 3.836 3.836 4.006 -0.170 19548 5011 1 19 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.865 0.606 19548 5012 1 19 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.424 -0.241 19548 5013 1 19 . 1 1 49 49 GLN H H 49 8.604 8.604 7.762 0.842 19548 5014 1 19 . 1 1 50 50 ARG N N 50 120.065 120.065 116.713 3.352 19548 5015 1 19 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.232 -0.243 19548 5016 1 19 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.087 1.915 19548 5017 1 19 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.274 0.137 19548 5018 1 19 . 1 1 50 50 ARG H H 50 7.165 7.165 7.457 -0.292 19548 5019 1 19 . 1 1 51 51 ILE N N 51 120.716 120.716 118.164 2.552 19548 5020 1 19 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.059 -0.442 19548 5021 1 19 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.465 1.778 19548 5022 1 19 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.068 -1.067 19548 5023 1 19 . 1 1 51 51 ILE H H 51 7.884 7.884 7.573 0.311 19548 5024 1 19 . 1 1 52 52 GLN N N 52 118.921 118.921 118.840 0.081 19548 5025 1 19 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.935 -0.128 19548 5026 1 19 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.462 0.910 19548 5027 1 19 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.329 0.856 19548 5028 1 19 . 1 1 52 52 GLN H H 52 7.905 7.905 7.920 -0.015 19548 5029 1 19 . 1 1 53 53 ALA N N 53 120.638 120.638 120.212 0.426 19548 5030 1 19 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.170 -0.001 19548 5031 1 19 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.771 0.322 19548 5032 1 19 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.778 -0.204 19548 5033 1 19 . 1 1 53 53 ALA H H 53 7.601 7.601 7.699 -0.098 19548 5034 1 19 . 1 1 54 54 GLY N N 54 105.799 105.799 104.352 1.447 19548 5035 1 19 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.933 0.584 19548 5036 1 19 . 1 1 54 54 GLY H H 54 7.720 7.720 7.814 -0.094 19548 5037 1 19 . 1 1 55 55 LEU N N 55 120.711 120.711 117.290 3.421 19548 5038 1 19 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.055 -0.733 19548 5039 1 19 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.713 1.543 19548 5040 1 19 . 1 1 55 55 LEU CB C 55 42.263 42.263 43.143 -0.880 19548 5041 1 19 . 1 1 55 55 LEU H H 55 7.687 7.687 7.993 -0.306 19548 5042 1 19 . 1 1 56 56 THR N N 56 113.068 113.068 107.542 5.526 19548 5043 1 19 . 1 1 56 56 THR HA H 56 4.245 4.245 4.470 -0.225 19548 5044 1 19 . 1 1 56 56 THR CA C 56 61.383 61.383 61.694 -0.311 19548 5045 1 19 . 1 1 56 56 THR CB C 56 69.836 69.836 69.125 0.711 19548 5046 1 19 . 1 1 56 56 THR H H 56 7.746 7.746 8.140 -0.394 19548 5047 1 19 . 1 1 57 57 ALA N N 57 127.221 127.221 124.437 2.784 19548 5048 1 19 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.669 -0.178 19548 5049 1 19 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.549 -0.009 19548 5050 1 19 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.337 -1.999 19548 5051 1 19 . 1 1 57 57 ALA H H 57 8.065 8.065 7.391 0.674 19548 5052 1 19 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.222 0.093 19548 5053 1 19 . 1 1 58 58 PRO CA C 58 63.349 63.349 64.004 -0.655 19548 5054 1 19 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.196 -0.265 19548 5055 1 20 . 1 1 2 2 LEU N N 2 124.817 124.817 124.771 0.046 19548 5056 1 20 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.840 -0.359 19548 5057 1 20 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.475 0.027 19548 5058 1 20 . 1 1 2 2 LEU CB C 2 42.410 42.410 43.153 -0.743 19548 5059 1 20 . 1 1 2 2 LEU H H 2 8.411 8.411 8.494 -0.083 19548 5060 1 20 . 1 1 3 3 ILE N N 3 130.687 130.687 124.274 6.413 19548 5061 1 20 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.337 0.642 19548 5062 1 20 . 1 1 3 3 ILE CA C 3 60.021 60.021 60.984 -0.963 19548 5063 1 20 . 1 1 3 3 ILE CB C 3 37.984 37.984 38.816 -0.832 19548 5064 1 20 . 1 1 3 3 ILE H H 3 10.326 10.326 8.213 2.113 19548 5065 1 20 . 1 1 4 4 LEU N N 4 123.391 123.391 124.989 -1.598 19548 5066 1 20 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.690 0.093 19548 5067 1 20 . 1 1 4 4 LEU CA C 4 52.591 52.591 54.075 -1.484 19548 5068 1 20 . 1 1 4 4 LEU CB C 4 46.491 46.491 44.940 1.551 19548 5069 1 20 . 1 1 4 4 LEU H H 4 8.793 8.793 8.213 0.580 19548 5070 1 20 . 1 1 5 5 THR HA H 5 5.491 5.491 4.686 0.805 19548 5071 1 20 . 1 1 5 5 THR CA C 5 61.148 61.148 61.371 -0.223 19548 5072 1 20 . 1 1 5 5 THR CB C 5 69.731 69.731 70.187 -0.456 19548 5073 1 20 . 1 1 6 6 ARG N N 6 125.087 125.087 122.281 2.806 19548 5074 1 20 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.649 0.316 19548 5075 1 20 . 1 1 6 6 ARG CA C 6 55.121 55.121 54.879 0.242 19548 5076 1 20 . 1 1 6 6 ARG CB C 6 38.407 38.407 33.281 5.126 19548 5077 1 20 . 1 1 6 6 ARG H H 6 9.367 9.367 8.389 0.978 19548 5078 1 20 . 1 1 7 7 LYS N N 7 123.260 123.260 122.123 1.137 19548 5079 1 20 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.579 0.519 19548 5080 1 20 . 1 1 7 7 LYS CA C 7 54.249 54.249 55.115 -0.866 19548 5081 1 20 . 1 1 7 7 LYS CB C 7 34.255 34.255 33.518 0.737 19548 5082 1 20 . 1 1 7 7 LYS H H 7 9.406 9.406 9.252 0.154 19548 5083 1 20 . 1 1 8 8 VAL N N 8 118.507 118.507 118.116 0.391 19548 5084 1 20 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.868 -0.561 19548 5085 1 20 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.804 2.173 19548 5086 1 20 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.350 1.222 19548 5087 1 20 . 1 1 8 8 VAL H H 8 7.764 7.764 8.313 -0.549 19548 5088 1 20 . 1 1 9 9 GLY N N 9 116.023 116.023 115.670 0.353 19548 5089 1 20 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.693 -0.118 19548 5090 1 20 . 1 1 9 9 GLY H H 9 9.238 9.238 9.212 0.026 19548 5091 1 20 . 1 1 10 10 GLU N N 10 119.392 119.392 121.138 -1.746 19548 5092 1 20 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.581 0.311 19548 5093 1 20 . 1 1 10 10 GLU CA C 10 55.758 55.758 55.881 -0.123 19548 5094 1 20 . 1 1 10 10 GLU CB C 10 32.841 32.841 31.279 1.562 19548 5095 1 20 . 1 1 10 10 GLU H H 10 8.401 8.401 8.262 0.139 19548 5096 1 20 . 1 1 11 11 SER N N 11 112.280 112.280 112.907 -0.627 19548 5097 1 20 . 1 1 11 11 SER HA H 11 5.870 5.870 5.376 0.494 19548 5098 1 20 . 1 1 11 11 SER CA C 11 57.964 57.964 56.974 0.990 19548 5099 1 20 . 1 1 11 11 SER CB C 11 66.971 66.971 66.173 0.798 19548 5100 1 20 . 1 1 11 11 SER H H 11 8.618 8.618 8.285 0.333 19548 5101 1 20 . 1 1 12 12 ILE N N 12 124.303 124.303 119.595 4.708 19548 5102 1 20 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.470 -0.116 19548 5103 1 20 . 1 1 12 12 ILE CA C 12 59.981 59.981 59.525 0.456 19548 5104 1 20 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.743 0.012 19548 5105 1 20 . 1 1 12 12 ILE H H 12 9.328 9.328 8.888 0.440 19548 5106 1 20 . 1 1 13 13 ASN N N 13 126.189 126.189 121.194 4.995 19548 5107 1 20 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.078 -0.061 19548 5108 1 20 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.185 1.214 19548 5109 1 20 . 1 1 13 13 ASN CB C 13 41.442 41.442 42.306 -0.864 19548 5110 1 20 . 1 1 13 13 ASN H H 13 9.395 9.395 8.394 1.001 19548 5111 1 20 . 1 1 14 14 ILE N N 14 123.998 123.998 120.468 3.530 19548 5112 1 20 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.426 0.019 19548 5113 1 20 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.692 -0.153 19548 5114 1 20 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.558 -3.049 19548 5115 1 20 . 1 1 14 14 ILE H H 14 8.455 8.455 8.486 -0.031 19548 5116 1 20 . 1 1 15 15 GLY N N 15 115.223 115.223 113.103 2.120 19548 5117 1 20 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.521 -0.573 19548 5118 1 20 . 1 1 15 15 GLY H H 15 9.039 9.039 8.602 0.437 19548 5119 1 20 . 1 1 16 16 ASP N N 16 120.438 120.438 121.903 -1.465 19548 5120 1 20 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.738 0.174 19548 5121 1 20 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.416 0.890 19548 5122 1 20 . 1 1 16 16 ASP CB C 16 42.366 42.366 41.414 0.952 19548 5123 1 20 . 1 1 16 16 ASP H H 16 8.714 8.714 8.260 0.454 19548 5124 1 20 . 1 1 17 17 ASP N N 17 115.581 115.581 118.944 -3.363 19548 5125 1 20 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.773 -0.045 19548 5126 1 20 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.018 0.161 19548 5127 1 20 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.802 -1.269 19548 5128 1 20 . 1 1 17 17 ASP H H 17 8.158 8.158 7.890 0.268 19548 5129 1 20 . 1 1 18 18 ILE N N 18 118.645 118.645 119.900 -1.255 19548 5130 1 20 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.085 0.103 19548 5131 1 20 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.399 -0.314 19548 5132 1 20 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.275 -2.579 19548 5133 1 20 . 1 1 18 18 ILE H H 18 7.180 7.180 7.660 -0.480 19548 5134 1 20 . 1 1 19 19 THR N N 19 122.845 122.845 120.644 2.201 19548 5135 1 20 . 1 1 19 19 THR HA H 19 5.117 5.117 4.995 0.122 19548 5136 1 20 . 1 1 19 19 THR CA C 19 61.009 61.009 61.615 -0.606 19548 5137 1 20 . 1 1 19 19 THR CB C 19 71.661 71.661 72.349 -0.688 19548 5138 1 20 . 1 1 19 19 THR H H 19 8.970 8.970 8.806 0.164 19548 5139 1 20 . 1 1 20 20 ILE N N 20 123.857 123.857 122.013 1.844 19548 5140 1 20 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.860 0.032 19548 5141 1 20 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.309 -0.358 19548 5142 1 20 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.877 -1.539 19548 5143 1 20 . 1 1 20 20 ILE H H 20 8.954 8.954 9.144 -0.190 19548 5144 1 20 . 1 1 21 21 THR N N 21 123.681 123.681 119.483 4.198 19548 5145 1 20 . 1 1 21 21 THR HA H 21 4.840 4.840 5.003 -0.163 19548 5146 1 20 . 1 1 21 21 THR CA C 21 61.503 61.503 61.624 -0.121 19548 5147 1 20 . 1 1 21 21 THR CB C 21 71.965 71.965 72.550 -0.586 19548 5148 1 20 . 1 1 21 21 THR H H 21 9.428 9.428 8.875 0.553 19548 5149 1 20 . 1 1 22 22 ILE N N 22 125.758 125.758 125.943 -0.185 19548 5150 1 20 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.591 -0.467 19548 5151 1 20 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.226 1.032 19548 5152 1 20 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.980 -4.056 19548 5153 1 20 . 1 1 22 22 ILE H H 22 8.131 8.131 8.374 -0.243 19548 5154 1 20 . 1 1 23 23 LEU N N 23 129.382 129.382 129.249 0.133 19548 5155 1 20 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.142 0.377 19548 5156 1 20 . 1 1 23 23 LEU CA C 23 55.574 55.574 56.377 -0.803 19548 5157 1 20 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.982 0.404 19548 5158 1 20 . 1 1 23 23 LEU H H 23 8.893 8.893 8.482 0.411 19548 5159 1 20 . 1 1 24 24 GLY N N 24 104.715 104.715 103.701 1.014 19548 5160 1 20 . 1 1 24 24 GLY CA C 24 45.984 45.984 45.234 0.750 19548 5161 1 20 . 1 1 24 24 GLY H H 24 7.559 7.559 7.566 -0.007 19548 5162 1 20 . 1 1 25 25 VAL N N 25 120.337 120.337 118.793 1.544 19548 5163 1 20 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.587 0.060 19548 5164 1 20 . 1 1 25 25 VAL CA C 25 61.477 61.477 60.259 1.218 19548 5165 1 20 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.529 0.204 19548 5166 1 20 . 1 1 25 25 VAL H H 25 8.431 8.431 8.312 0.119 19548 5167 1 20 . 1 1 26 26 SER N N 26 121.660 121.660 122.925 -1.265 19548 5168 1 20 . 1 1 26 26 SER HA H 26 4.658 4.658 4.661 -0.003 19548 5169 1 20 . 1 1 26 26 SER CA C 26 56.395 56.395 58.094 -1.699 19548 5170 1 20 . 1 1 26 26 SER CB C 26 63.731 63.731 64.097 -0.366 19548 5171 1 20 . 1 1 26 26 SER H H 26 8.614 8.614 8.900 -0.286 19548 5172 1 20 . 1 1 27 27 GLY N N 27 118.321 118.321 112.520 5.801 19548 5173 1 20 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.629 1.833 19548 5174 1 20 . 1 1 27 27 GLY H H 27 8.916 8.916 8.213 0.703 19548 5175 1 20 . 1 1 28 28 GLN N N 28 124.491 124.491 122.962 1.529 19548 5176 1 20 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.231 0.087 19548 5177 1 20 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.656 -1.551 19548 5178 1 20 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.774 0.964 19548 5179 1 20 . 1 1 28 28 GLN H H 28 8.814 8.814 8.592 0.222 19548 5180 1 20 . 1 1 29 29 GLN N N 29 117.410 117.410 119.427 -2.017 19548 5181 1 20 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.428 0.235 19548 5182 1 20 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.623 -0.239 19548 5183 1 20 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.329 1.040 19548 5184 1 20 . 1 1 29 29 GLN H H 29 8.310 8.310 7.628 0.682 19548 5185 1 20 . 1 1 30 30 VAL N N 30 123.844 123.844 122.238 1.606 19548 5186 1 20 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.375 0.175 19548 5187 1 20 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.202 -0.571 19548 5188 1 20 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.237 0.309 19548 5189 1 20 . 1 1 30 30 VAL H H 30 9.146 9.146 8.389 0.757 19548 5190 1 20 . 1 1 31 31 ARG N N 31 128.326 128.326 127.504 0.822 19548 5191 1 20 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.609 0.042 19548 5192 1 20 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.398 0.357 19548 5193 1 20 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.532 0.315 19548 5194 1 20 . 1 1 31 31 ARG H H 31 8.742 8.742 8.254 0.488 19548 5195 1 20 . 1 1 32 32 ILE N N 32 127.673 127.673 123.731 3.942 19548 5196 1 20 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.575 0.058 19548 5197 1 20 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.597 0.188 19548 5198 1 20 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.175 -1.471 19548 5199 1 20 . 1 1 32 32 ILE H H 32 9.018 9.018 8.430 0.588 19548 5200 1 20 . 1 1 33 33 GLY N N 33 112.593 112.593 111.348 1.245 19548 5201 1 20 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.524 1.188 19548 5202 1 20 . 1 1 33 33 GLY H H 33 9.193 9.193 8.832 0.361 19548 5203 1 20 . 1 1 34 34 ILE N N 34 125.160 125.160 120.840 4.320 19548 5204 1 20 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.660 0.143 19548 5205 1 20 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.385 0.513 19548 5206 1 20 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.361 -1.256 19548 5207 1 20 . 1 1 34 34 ILE H H 34 9.635 9.635 8.377 1.258 19548 5208 1 20 . 1 1 35 35 ASN N N 35 129.265 129.265 124.150 5.115 19548 5209 1 20 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.974 0.116 19548 5210 1 20 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.898 -0.787 19548 5211 1 20 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.911 -0.735 19548 5212 1 20 . 1 1 35 35 ASN H H 35 9.012 9.012 8.771 0.241 19548 5213 1 20 . 1 1 36 36 ALA N N 36 125.567 125.567 127.592 -2.025 19548 5214 1 20 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.160 -0.100 19548 5215 1 20 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.654 -0.325 19548 5216 1 20 . 1 1 36 36 ALA CB C 36 19.983 19.983 21.001 -1.018 19548 5217 1 20 . 1 1 36 36 ALA H H 36 8.239 8.239 8.132 0.107 19548 5218 1 20 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.571 -0.162 19548 5219 1 20 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.157 0.744 19548 5220 1 20 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.468 -0.069 19548 5221 1 20 . 1 1 38 38 LYS N N 38 121.055 121.055 121.195 -0.140 19548 5222 1 20 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.095 -0.324 19548 5223 1 20 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.672 1.165 19548 5224 1 20 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.753 0.099 19548 5225 1 20 . 1 1 38 38 LYS H H 38 8.559 8.559 8.489 0.070 19548 5226 1 20 . 1 1 39 39 ASP N N 39 113.847 113.847 118.422 -4.575 19548 5227 1 20 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.491 -0.150 19548 5228 1 20 . 1 1 39 39 ASP CA C 39 54.031 54.031 54.785 -0.754 19548 5229 1 20 . 1 1 39 39 ASP CB C 39 39.804 39.804 41.093 -1.289 19548 5230 1 20 . 1 1 39 39 ASP H H 39 8.139 8.139 8.216 -0.077 19548 5231 1 20 . 1 1 40 40 VAL N N 40 122.630 122.630 114.150 8.480 19548 5232 1 20 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.498 -0.547 19548 5233 1 20 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.712 2.206 19548 5234 1 20 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.618 -3.737 19548 5235 1 20 . 1 1 40 40 VAL H H 40 8.009 8.009 7.428 0.581 19548 5236 1 20 . 1 1 41 41 ALA N N 41 133.597 133.597 124.405 9.192 19548 5237 1 20 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.935 -0.488 19548 5238 1 20 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.218 1.031 19548 5239 1 20 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.234 -1.147 19548 5240 1 20 . 1 1 41 41 ALA H H 41 8.876 8.876 8.279 0.597 19548 5241 1 20 . 1 1 42 42 VAL N N 42 125.047 125.047 118.284 6.763 19548 5242 1 20 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.359 0.045 19548 5243 1 20 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.177 -0.590 19548 5244 1 20 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.637 0.007 19548 5245 1 20 . 1 1 42 42 VAL H H 42 7.805 7.805 7.824 -0.019 19548 5246 1 20 . 1 1 43 43 HIS N N 43 118.998 118.998 122.340 -3.342 19548 5247 1 20 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.874 0.607 19548 5248 1 20 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.339 -1.369 19548 5249 1 20 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.264 5.193 19548 5250 1 20 . 1 1 43 43 HIS H H 43 8.657 8.657 8.306 0.351 19548 5251 1 20 . 1 1 44 44 ARG N N 44 122.532 122.532 122.502 0.030 19548 5252 1 20 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.249 -0.320 19548 5253 1 20 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.455 1.946 19548 5254 1 20 . 1 1 44 44 ARG H H 44 8.949 8.949 8.653 0.296 19548 5255 1 20 . 1 1 45 45 GLU N N 45 126.110 126.110 125.509 0.601 19548 5256 1 20 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.084 0.267 19548 5257 1 20 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.527 0.165 19548 5258 1 20 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.704 0.348 19548 5259 1 20 . 1 1 45 45 GLU H H 45 7.878 7.878 9.080 -1.202 19548 5260 1 20 . 1 1 46 46 GLU N N 46 118.207 118.207 116.944 1.263 19548 5261 1 20 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.172 0.079 19548 5262 1 20 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.215 0.490 19548 5263 1 20 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.470 -2.408 19548 5264 1 20 . 1 1 46 46 GLU H H 46 10.784 10.784 8.642 2.142 19548 5265 1 20 . 1 1 47 47 ILE N N 47 122.316 122.316 119.431 2.885 19548 5266 1 20 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.963 -0.136 19548 5267 1 20 . 1 1 47 47 ILE CA C 47 61.180 61.180 61.938 -0.757 19548 5268 1 20 . 1 1 47 47 ILE CB C 47 34.717 34.717 38.049 -3.332 19548 5269 1 20 . 1 1 47 47 ILE H H 47 7.229 7.229 7.839 -0.610 19548 5270 1 20 . 1 1 48 48 TYR N N 48 122.269 122.269 122.527 -0.258 19548 5271 1 20 . 1 1 48 48 TYR HA H 48 3.645 3.645 3.982 -0.337 19548 5272 1 20 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.985 0.087 19548 5273 1 20 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.228 0.821 19548 5274 1 20 . 1 1 48 48 TYR H H 48 8.124 8.124 8.689 -0.565 19548 5275 1 20 . 1 1 49 49 GLN N N 49 115.409 115.409 116.655 -1.246 19548 5276 1 20 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.979 -0.143 19548 5277 1 20 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.918 0.553 19548 5278 1 20 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.438 -0.255 19548 5279 1 20 . 1 1 49 49 GLN H H 49 8.604 8.604 7.989 0.615 19548 5280 1 20 . 1 1 50 50 ARG N N 50 120.065 120.065 116.680 3.385 19548 5281 1 20 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.263 -0.274 19548 5282 1 20 . 1 1 50 50 ARG CA C 50 59.002 59.002 56.784 2.218 19548 5283 1 20 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.340 0.071 19548 5284 1 20 . 1 1 50 50 ARG H H 50 7.165 7.165 7.627 -0.462 19548 5285 1 20 . 1 1 51 51 ILE N N 51 120.716 120.716 117.919 2.797 19548 5286 1 20 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.072 -0.455 19548 5287 1 20 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.261 1.982 19548 5288 1 20 . 1 1 51 51 ILE CB C 51 38.001 38.001 39.117 -1.117 19548 5289 1 20 . 1 1 51 51 ILE H H 51 7.884 7.884 7.531 0.353 19548 5290 1 20 . 1 1 52 52 GLN N N 52 118.921 118.921 118.823 0.098 19548 5291 1 20 . 1 1 52 52 GLN HA H 52 3.807 3.807 3.953 -0.146 19548 5292 1 20 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.409 0.963 19548 5293 1 20 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.363 0.822 19548 5294 1 20 . 1 1 52 52 GLN H H 52 7.905 7.905 7.758 0.147 19548 5295 1 20 . 1 1 53 53 ALA N N 53 120.638 120.638 120.373 0.265 19548 5296 1 20 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.179 -0.010 19548 5297 1 20 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.775 0.318 19548 5298 1 20 . 1 1 53 53 ALA CB C 53 18.574 18.574 18.824 -0.250 19548 5299 1 20 . 1 1 53 53 ALA H H 53 7.601 7.601 7.710 -0.109 19548 5300 1 20 . 1 1 54 54 GLY N N 54 105.799 105.799 104.452 1.347 19548 5301 1 20 . 1 1 54 54 GLY CA C 54 45.517 45.517 44.949 0.568 19548 5302 1 20 . 1 1 54 54 GLY H H 54 7.720 7.720 7.797 -0.077 19548 5303 1 20 . 1 1 55 55 LEU N N 55 120.711 120.711 117.300 3.411 19548 5304 1 20 . 1 1 55 55 LEU HA H 55 4.322 4.322 5.054 -0.732 19548 5305 1 20 . 1 1 55 55 LEU CA C 55 55.256 55.256 53.732 1.524 19548 5306 1 20 . 1 1 55 55 LEU CB C 55 42.263 42.263 43.111 -0.848 19548 5307 1 20 . 1 1 55 55 LEU H H 55 7.687 7.687 7.955 -0.268 19548 5308 1 20 . 1 1 56 56 THR N N 56 113.068 113.068 107.512 5.556 19548 5309 1 20 . 1 1 56 56 THR HA H 56 4.245 4.245 4.470 -0.225 19548 5310 1 20 . 1 1 56 56 THR CA C 56 61.383 61.383 61.749 -0.366 19548 5311 1 20 . 1 1 56 56 THR CB C 56 69.836 69.836 69.144 0.692 19548 5312 1 20 . 1 1 56 56 THR H H 56 7.746 7.746 8.148 -0.402 19548 5313 1 20 . 1 1 57 57 ALA N N 57 127.221 127.221 124.118 3.103 19548 5314 1 20 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.638 -0.147 19548 5315 1 20 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.726 -0.186 19548 5316 1 20 . 1 1 57 57 ALA CB C 57 18.338 18.338 20.025 -1.687 19548 5317 1 20 . 1 1 57 57 ALA H H 57 8.065 8.065 7.628 0.437 19548 5318 1 20 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.435 -0.120 19548 5319 1 20 . 1 1 58 58 PRO CA C 58 63.349 63.349 62.326 1.023 19548 5320 1 20 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.462 -0.532 19548 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 54 3.565 -1.746 3.137 19548 2 1 1 "Average Difference" HA 62 0.349 0.007 0.352 19548 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19548 4 1 1 "Average Difference" CA 57 1.085 -0.191 1.078 19548 5 1 1 "Average Difference" CB 50 1.802 0.115 1.817 19548 6 1 1 "Average Difference" HN 54 0.663 -0.284 0.605 19548 7 1 2 "Average Difference" N 54 3.771 -1.835 3.325 19548 8 1 2 "Average Difference" HA 62 0.327 0.005 0.329 19548 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19548 10 1 2 "Average Difference" CA 57 1.158 -0.247 1.141 19548 11 1 2 "Average Difference" CB 50 1.730 0.311 1.719 19548 12 1 2 "Average Difference" HN 54 0.655 -0.297 0.589 19548 13 1 3 "Average Difference" N 54 3.573 -1.906 3.050 19548 14 1 3 "Average Difference" HA 62 0.351 -0.004 0.354 19548 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19548 16 1 3 "Average Difference" CA 57 1.116 -0.230 1.102 19548 17 1 3 "Average Difference" CB 50 1.781 0.192 1.788 19548 18 1 3 "Average Difference" HN 54 0.651 -0.253 0.606 19548 19 1 4 "Average Difference" N 54 3.373 -1.603 2.996 19548 20 1 4 "Average Difference" HA 62 0.347 0.001 0.350 19548 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19548 22 1 4 "Average Difference" CA 57 1.057 -0.193 1.049 19548 23 1 4 "Average Difference" CB 50 1.793 0.089 1.809 19548 24 1 4 "Average Difference" HN 54 0.659 -0.262 0.610 19548 25 1 5 "Average Difference" N 54 3.463 -1.534 3.134 19548 26 1 5 "Average Difference" HA 62 0.337 -0.007 0.339 19548 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19548 28 1 5 "Average Difference" CA 57 1.100 -0.190 1.093 19548 29 1 5 "Average Difference" CB 50 1.784 0.243 1.786 19548 30 1 5 "Average Difference" HN 54 0.660 -0.271 0.608 19548 31 1 6 "Average Difference" N 54 3.385 -1.679 2.967 19548 32 1 6 "Average Difference" HA 62 0.345 0.011 0.347 19548 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19548 34 1 6 "Average Difference" CA 57 1.112 -0.232 1.097 19548 35 1 6 "Average Difference" CB 50 1.708 0.265 1.704 19548 36 1 6 "Average Difference" HN 54 0.634 -0.285 0.572 19548 37 1 7 "Average Difference" N 54 3.344 -1.379 3.075 19548 38 1 7 "Average Difference" HA 62 0.328 0.016 0.330 19548 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19548 40 1 7 "Average Difference" CA 57 0.981 -0.202 0.968 19548 41 1 7 "Average Difference" CB 50 1.677 0.267 1.672 19548 42 1 7 "Average Difference" HN 54 0.637 -0.264 0.585 19548 43 1 8 "Average Difference" N 54 3.588 -1.622 3.231 19548 44 1 8 "Average Difference" HA 62 0.334 0.010 0.336 19548 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19548 46 1 8 "Average Difference" CA 57 1.098 -0.147 1.098 19548 47 1 8 "Average Difference" CB 50 1.724 0.246 1.724 19548 48 1 8 "Average Difference" HN 54 0.637 -0.281 0.578 19548 49 1 9 "Average Difference" N 54 3.300 -1.490 2.972 19548 50 1 9 "Average Difference" HA 62 0.339 0.019 0.341 19548 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19548 52 1 9 "Average Difference" CA 57 1.034 -0.199 1.024 19548 53 1 9 "Average Difference" CB 50 1.762 0.292 1.755 19548 54 1 9 "Average Difference" HN 54 0.643 -0.274 0.587 19548 55 1 10 "Average Difference" N 54 3.499 -1.726 3.073 19548 56 1 10 "Average Difference" HA 62 0.343 -0.022 0.345 19548 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19548 58 1 10 "Average Difference" CA 57 1.015 -0.105 1.019 19548 59 1 10 "Average Difference" CB 50 1.763 0.120 1.777 19548 60 1 10 "Average Difference" HN 54 0.635 -0.265 0.582 19548 61 1 11 "Average Difference" N 54 3.499 -1.597 3.143 19548 62 1 11 "Average Difference" HA 62 0.343 0.016 0.345 19548 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19548 64 1 11 "Average Difference" CA 57 1.050 -0.190 1.042 19548 65 1 11 "Average Difference" CB 50 1.700 0.248 1.698 19548 66 1 11 "Average Difference" HN 54 0.631 -0.283 0.569 19548 67 1 12 "Average Difference" N 54 3.500 -1.915 2.958 19548 68 1 12 "Average Difference" HA 62 0.329 0.004 0.332 19548 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19548 70 1 12 "Average Difference" CA 57 1.056 -0.188 1.048 19548 71 1 12 "Average Difference" CB 50 1.734 0.204 1.739 19548 72 1 12 "Average Difference" HN 54 0.639 -0.256 0.591 19548 73 1 13 "Average Difference" N 54 3.426 -1.677 3.016 19548 74 1 13 "Average Difference" HA 62 0.357 0.006 0.360 19548 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19548 76 1 13 "Average Difference" CA 57 1.039 -0.202 1.029 19548 77 1 13 "Average Difference" CB 50 1.761 0.238 1.763 19548 78 1 13 "Average Difference" HN 54 0.639 -0.264 0.587 19548 79 1 14 "Average Difference" N 54 3.582 -1.822 3.114 19548 80 1 14 "Average Difference" HA 62 0.333 0.001 0.336 19548 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19548 82 1 14 "Average Difference" CA 57 1.234 -0.205 1.228 19548 83 1 14 "Average Difference" CB 50 1.763 0.242 1.764 19548 84 1 14 "Average Difference" HN 54 0.633 -0.276 0.575 19548 85 1 15 "Average Difference" N 54 3.380 -1.475 3.069 19548 86 1 15 "Average Difference" HA 62 0.350 -0.000 0.353 19548 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19548 88 1 15 "Average Difference" CA 57 1.046 -0.129 1.047 19548 89 1 15 "Average Difference" CB 50 1.826 0.195 1.834 19548 90 1 15 "Average Difference" HN 54 0.628 -0.280 0.567 19548 91 1 16 "Average Difference" N 54 3.626 -1.806 3.174 19548 92 1 16 "Average Difference" HA 62 0.352 -0.009 0.354 19548 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19548 94 1 16 "Average Difference" CA 57 1.153 -0.206 1.145 19548 95 1 16 "Average Difference" CB 50 1.834 0.136 1.847 19548 96 1 16 "Average Difference" HN 54 0.637 -0.288 0.574 19548 97 1 17 "Average Difference" N 54 3.455 -1.403 3.187 19548 98 1 17 "Average Difference" HA 62 0.335 0.007 0.337 19548 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19548 100 1 17 "Average Difference" CA 57 1.005 -0.194 0.995 19548 101 1 17 "Average Difference" CB 50 1.812 0.180 1.821 19548 102 1 17 "Average Difference" HN 54 0.662 -0.273 0.609 19548 103 1 18 "Average Difference" N 54 3.395 -1.429 3.108 19548 104 1 18 "Average Difference" HA 62 0.346 -0.010 0.349 19548 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19548 106 1 18 "Average Difference" CA 57 1.153 -0.185 1.148 19548 107 1 18 "Average Difference" CB 50 1.870 0.206 1.877 19548 108 1 18 "Average Difference" HN 54 0.646 -0.301 0.577 19548 109 1 19 "Average Difference" N 54 3.657 -1.780 3.225 19548 110 1 19 "Average Difference" HA 62 0.346 0.010 0.349 19548 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19548 112 1 19 "Average Difference" CA 57 1.037 -0.202 1.026 19548 113 1 19 "Average Difference" CB 50 1.789 0.210 1.794 19548 114 1 19 "Average Difference" HN 54 0.670 -0.286 0.611 19548 115 1 20 "Average Difference" N 54 3.321 -1.590 2.942 19548 116 1 20 "Average Difference" HA 62 0.338 -0.001 0.341 19548 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19548 118 1 20 "Average Difference" CA 57 1.007 -0.251 0.984 19548 119 1 20 "Average Difference" CB 50 1.732 0.299 1.723 19548 120 1 20 "Average Difference" HN 54 0.632 -0.250 0.586 19548 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 19548 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 2 124.817 124.817 125.795 -0.978 19548 2 1 . 1 1 2 2 LEU HA H 2 4.481 4.481 4.829 -0.348 19548 3 1 . 1 1 2 2 LEU CA C 2 54.502 54.502 54.915 -0.413 19548 4 1 . 1 1 2 2 LEU CB C 2 42.410 42.410 42.723 -0.313 19548 5 1 . 1 1 2 2 LEU H H 2 8.411 8.411 8.481 -0.070 19548 6 1 . 1 1 3 3 ILE N N 3 130.687 130.687 124.492 6.195 19548 7 1 . 1 1 3 3 ILE HA H 3 4.979 4.979 4.386 0.593 19548 8 1 . 1 1 3 3 ILE CA C 3 60.021 60.021 61.133 -1.112 19548 9 1 . 1 1 3 3 ILE CB C 3 37.984 37.984 39.050 -1.066 19548 10 1 . 1 1 3 3 ILE H H 3 10.326 10.326 8.351 1.975 19548 11 1 . 1 1 4 4 LEU N N 4 123.391 123.391 124.078 -0.687 19548 12 1 . 1 1 4 4 LEU HA H 4 4.783 4.783 4.758 0.025 19548 13 1 . 1 1 4 4 LEU CA C 4 52.591 52.591 53.891 -1.300 19548 14 1 . 1 1 4 4 LEU CB C 4 46.491 46.491 43.891 2.600 19548 15 1 . 1 1 4 4 LEU H H 4 8.793 8.793 8.103 0.690 19548 16 1 . 1 1 5 5 THR HA H 5 5.491 5.491 4.694 0.797 19548 17 1 . 1 1 5 5 THR CA C 5 61.148 61.148 61.663 -0.515 19548 18 1 . 1 1 5 5 THR CB C 5 69.731 69.731 70.064 -0.333 19548 19 1 . 1 1 6 6 ARG N N 6 125.087 125.087 122.173 2.914 19548 20 1 . 1 1 6 6 ARG HA H 6 4.965 4.965 4.525 0.441 19548 21 1 . 1 1 6 6 ARG CA C 6 55.121 55.121 55.304 -0.183 19548 22 1 . 1 1 6 6 ARG CB C 6 38.407 38.407 32.805 5.602 19548 23 1 . 1 1 6 6 ARG H H 6 9.367 9.367 8.366 1.001 19548 24 1 . 1 1 7 7 LYS N N 7 123.260 123.260 122.383 0.877 19548 25 1 . 1 1 7 7 LYS HA H 7 5.098 5.098 4.636 0.462 19548 26 1 . 1 1 7 7 LYS CA C 7 54.249 54.249 54.910 -0.661 19548 27 1 . 1 1 7 7 LYS CB C 7 34.255 34.255 34.559 -0.304 19548 28 1 . 1 1 7 7 LYS H H 7 9.406 9.406 8.784 0.622 19548 29 1 . 1 1 8 8 VAL N N 8 118.507 118.507 118.528 -0.021 19548 30 1 . 1 1 8 8 VAL HA H 8 3.307 3.307 3.926 -0.619 19548 31 1 . 1 1 8 8 VAL CA C 8 65.977 65.977 63.206 2.771 19548 32 1 . 1 1 8 8 VAL CB C 8 31.572 31.572 30.811 0.762 19548 33 1 . 1 1 8 8 VAL H H 8 7.764 7.764 8.300 -0.536 19548 34 1 . 1 1 9 9 GLY N N 9 116.023 116.023 115.312 0.711 19548 35 1 . 1 1 9 9 GLY CA C 9 44.575 44.575 44.881 -0.306 19548 36 1 . 1 1 9 9 GLY H H 9 9.238 9.238 9.192 0.046 19548 37 1 . 1 1 10 10 GLU N N 10 119.392 119.392 120.100 -0.708 19548 38 1 . 1 1 10 10 GLU HA H 10 4.892 4.892 4.750 0.142 19548 39 1 . 1 1 10 10 GLU CA C 10 55.758 55.758 54.659 1.099 19548 40 1 . 1 1 10 10 GLU CB C 10 32.841 32.841 32.294 0.547 19548 41 1 . 1 1 10 10 GLU H H 10 8.401 8.401 7.959 0.442 19548 42 1 . 1 1 11 11 SER N N 11 112.280 112.280 113.231 -0.951 19548 43 1 . 1 1 11 11 SER HA H 11 5.870 5.870 5.374 0.496 19548 44 1 . 1 1 11 11 SER CA C 11 57.964 57.964 57.054 0.910 19548 45 1 . 1 1 11 11 SER CB C 11 66.971 66.971 66.210 0.761 19548 46 1 . 1 1 11 11 SER H H 11 8.618 8.618 8.342 0.276 19548 47 1 . 1 1 12 12 ILE N N 12 124.303 124.303 119.599 4.704 19548 48 1 . 1 1 12 12 ILE HA H 12 4.354 4.354 4.498 -0.144 19548 49 1 . 1 1 12 12 ILE CA C 12 59.981 59.981 60.001 -0.020 19548 50 1 . 1 1 12 12 ILE CB C 12 42.755 42.755 42.843 -0.088 19548 51 1 . 1 1 12 12 ILE H H 12 9.328 9.328 8.853 0.475 19548 52 1 . 1 1 13 13 ASN N N 13 126.189 126.189 120.504 5.685 19548 53 1 . 1 1 13 13 ASN HA H 13 5.017 5.017 5.198 -0.181 19548 54 1 . 1 1 13 13 ASN CA C 13 53.399 53.399 52.365 1.034 19548 55 1 . 1 1 13 13 ASN CB C 13 41.442 41.442 41.935 -0.493 19548 56 1 . 1 1 13 13 ASN H H 13 9.395 9.395 8.431 0.964 19548 57 1 . 1 1 14 14 ILE N N 14 123.998 123.998 120.720 3.278 19548 58 1 . 1 1 14 14 ILE HA H 14 4.445 4.445 4.444 0.001 19548 59 1 . 1 1 14 14 ILE CA C 14 60.539 60.539 60.666 -0.127 19548 60 1 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.572 -3.063 19548 61 1 . 1 1 14 14 ILE H H 14 8.455 8.455 8.526 -0.071 19548 62 1 . 1 1 15 15 GLY N N 15 115.223 115.223 113.284 1.939 19548 63 1 . 1 1 15 15 GLY CA C 15 45.948 45.948 46.379 -0.431 19548 64 1 . 1 1 15 15 GLY H H 15 9.039 9.039 8.676 0.363 19548 65 1 . 1 1 16 16 ASP N N 16 120.438 120.438 119.425 1.013 19548 66 1 . 1 1 16 16 ASP HA H 16 4.912 4.912 4.564 0.348 19548 67 1 . 1 1 16 16 ASP CA C 16 55.306 55.306 54.714 0.592 19548 68 1 . 1 1 16 16 ASP CB C 16 42.366 42.366 40.848 1.518 19548 69 1 . 1 1 16 16 ASP H H 16 8.714 8.714 8.349 0.364 19548 70 1 . 1 1 17 17 ASP N N 17 115.581 115.581 118.214 -2.633 19548 71 1 . 1 1 17 17 ASP HA H 17 4.728 4.728 4.817 -0.089 19548 72 1 . 1 1 17 17 ASP CA C 17 54.179 54.179 54.118 0.061 19548 73 1 . 1 1 17 17 ASP CB C 17 42.533 42.533 43.746 -1.213 19548 74 1 . 1 1 17 17 ASP H H 17 8.158 8.158 7.847 0.311 19548 75 1 . 1 1 18 18 ILE N N 18 118.645 118.645 120.027 -1.382 19548 76 1 . 1 1 18 18 ILE HA H 18 5.188 5.188 5.089 0.099 19548 77 1 . 1 1 18 18 ILE CA C 18 60.085 60.085 60.181 -0.096 19548 78 1 . 1 1 18 18 ILE CB C 18 39.696 39.696 42.255 -2.559 19548 79 1 . 1 1 18 18 ILE H H 18 7.180 7.180 7.849 -0.669 19548 80 1 . 1 1 19 19 THR N N 19 122.845 122.845 120.911 1.934 19548 81 1 . 1 1 19 19 THR HA H 19 5.117 5.117 5.027 0.090 19548 82 1 . 1 1 19 19 THR CA C 19 61.009 61.009 61.447 -0.438 19548 83 1 . 1 1 19 19 THR CB C 19 71.661 71.661 72.269 -0.608 19548 84 1 . 1 1 19 19 THR H H 19 8.970 8.970 8.797 0.173 19548 85 1 . 1 1 20 20 ILE N N 20 123.857 123.857 122.262 1.595 19548 86 1 . 1 1 20 20 ILE HA H 20 4.892 4.892 4.917 -0.025 19548 87 1 . 1 1 20 20 ILE CA C 20 58.951 58.951 59.207 -0.256 19548 88 1 . 1 1 20 20 ILE CB C 20 40.338 40.338 41.976 -1.638 19548 89 1 . 1 1 20 20 ILE H H 20 8.954 8.954 9.082 -0.128 19548 90 1 . 1 1 21 21 THR N N 21 123.681 123.681 120.200 3.481 19548 91 1 . 1 1 21 21 THR HA H 21 4.840 4.840 4.928 -0.088 19548 92 1 . 1 1 21 21 THR CA C 21 61.503 61.503 61.601 -0.098 19548 93 1 . 1 1 21 21 THR CB C 21 71.965 71.965 71.874 0.091 19548 94 1 . 1 1 21 21 THR H H 21 9.428 9.428 8.808 0.620 19548 95 1 . 1 1 22 22 ILE N N 22 125.758 125.758 127.594 -1.836 19548 96 1 . 1 1 22 22 ILE HA H 22 4.124 4.124 4.395 -0.271 19548 97 1 . 1 1 22 22 ILE CA C 22 59.258 59.258 58.748 0.510 19548 98 1 . 1 1 22 22 ILE CB C 22 33.924 33.924 37.827 -3.903 19548 99 1 . 1 1 22 22 ILE H H 22 8.131 8.131 8.400 -0.269 19548 100 1 . 1 1 23 23 LEU N N 23 129.382 129.382 129.221 0.161 19548 101 1 . 1 1 23 23 LEU HA H 23 4.519 4.519 4.226 0.293 19548 102 1 . 1 1 23 23 LEU CA C 23 55.574 55.574 55.944 -0.370 19548 103 1 . 1 1 23 23 LEU CB C 23 42.386 42.386 41.843 0.543 19548 104 1 . 1 1 23 23 LEU H H 23 8.893 8.893 8.232 0.661 19548 105 1 . 1 1 24 24 GLY N N 24 104.715 104.715 104.561 0.154 19548 106 1 . 1 1 24 24 GLY CA C 24 45.984 45.984 44.944 1.040 19548 107 1 . 1 1 24 24 GLY H H 24 7.559 7.559 7.541 0.018 19548 108 1 . 1 1 25 25 VAL N N 25 120.337 120.337 116.947 3.390 19548 109 1 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.766 -0.119 19548 110 1 . 1 1 25 25 VAL CA C 25 61.477 61.477 59.629 1.848 19548 111 1 . 1 1 25 25 VAL CB C 25 35.733 35.733 35.367 0.367 19548 112 1 . 1 1 25 25 VAL H H 25 8.431 8.431 8.301 0.130 19548 113 1 . 1 1 26 26 SER N N 26 121.660 121.660 119.958 1.702 19548 114 1 . 1 1 26 26 SER HA H 26 4.658 4.658 4.654 0.004 19548 115 1 . 1 1 26 26 SER CA C 26 56.395 56.395 58.094 -1.699 19548 116 1 . 1 1 26 26 SER CB C 26 63.731 63.731 63.961 -0.230 19548 117 1 . 1 1 26 26 SER H H 26 8.614 8.614 8.894 -0.280 19548 118 1 . 1 1 27 27 GLY N N 27 118.321 118.321 112.912 5.409 19548 119 1 . 1 1 27 27 GLY CA C 27 47.462 47.462 45.831 1.631 19548 120 1 . 1 1 27 27 GLY H H 27 8.916 8.916 8.299 0.617 19548 121 1 . 1 1 28 28 GLN N N 28 124.491 124.491 122.971 1.520 19548 122 1 . 1 1 28 28 GLN HA H 28 4.318 4.318 4.268 0.050 19548 123 1 . 1 1 28 28 GLN CA C 28 55.105 55.105 56.440 -1.335 19548 124 1 . 1 1 28 28 GLN CB C 28 29.738 29.738 28.832 0.906 19548 125 1 . 1 1 28 28 GLN H H 28 8.814 8.814 8.569 0.245 19548 126 1 . 1 1 29 29 GLN N N 29 117.410 117.410 119.599 -2.189 19548 127 1 . 1 1 29 29 GLN HA H 29 4.663 4.663 4.412 0.251 19548 128 1 . 1 1 29 29 GLN CA C 29 55.384 55.384 55.770 -0.386 19548 129 1 . 1 1 29 29 GLN CB C 29 31.370 31.370 30.240 1.130 19548 130 1 . 1 1 29 29 GLN H H 29 8.310 8.310 7.594 0.716 19548 131 1 . 1 1 30 30 VAL N N 30 123.844 123.844 122.198 1.646 19548 132 1 . 1 1 30 30 VAL HA H 30 4.550 4.550 4.398 0.152 19548 133 1 . 1 1 30 30 VAL CA C 30 60.630 60.630 61.276 -0.646 19548 134 1 . 1 1 30 30 VAL CB C 30 34.546 34.546 34.357 0.189 19548 135 1 . 1 1 30 30 VAL H H 30 9.146 9.146 8.371 0.775 19548 136 1 . 1 1 31 31 ARG N N 31 128.326 128.326 127.848 0.478 19548 137 1 . 1 1 31 31 ARG HA H 31 4.651 4.651 4.656 -0.005 19548 138 1 . 1 1 31 31 ARG CA C 31 55.755 55.755 55.293 0.462 19548 139 1 . 1 1 31 31 ARG CB C 31 31.847 31.847 31.801 0.046 19548 140 1 . 1 1 31 31 ARG H H 31 8.742 8.742 8.342 0.400 19548 141 1 . 1 1 32 32 ILE N N 32 127.673 127.673 122.970 4.703 19548 142 1 . 1 1 32 32 ILE HA H 32 4.633 4.633 4.837 -0.204 19548 143 1 . 1 1 32 32 ILE CA C 32 59.786 59.786 59.447 0.339 19548 144 1 . 1 1 32 32 ILE CB C 32 40.704 40.704 42.107 -1.403 19548 145 1 . 1 1 32 32 ILE H H 32 9.018 9.018 8.430 0.588 19548 146 1 . 1 1 33 33 GLY N N 33 112.593 112.593 111.459 1.134 19548 147 1 . 1 1 33 33 GLY CA C 33 44.712 44.712 43.677 1.035 19548 148 1 . 1 1 33 33 GLY H H 33 9.193 9.193 8.894 0.298 19548 149 1 . 1 1 34 34 ILE N N 34 125.160 125.160 120.496 4.664 19548 150 1 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.757 0.046 19548 151 1 . 1 1 34 34 ILE CA C 34 60.898 60.898 60.271 0.627 19548 152 1 . 1 1 34 34 ILE CB C 34 41.105 41.105 42.448 -1.343 19548 153 1 . 1 1 34 34 ILE H H 34 9.635 9.635 8.238 1.398 19548 154 1 . 1 1 35 35 ASN N N 35 129.265 129.265 123.994 5.271 19548 155 1 . 1 1 35 35 ASN HA H 35 5.090 5.090 4.972 0.118 19548 156 1 . 1 1 35 35 ASN CA C 35 52.111 52.111 52.796 -0.685 19548 157 1 . 1 1 35 35 ASN CB C 35 40.176 40.176 40.871 -0.695 19548 158 1 . 1 1 35 35 ASN H H 35 9.012 9.012 8.810 0.202 19548 159 1 . 1 1 36 36 ALA N N 36 125.567 125.567 127.678 -2.111 19548 160 1 . 1 1 36 36 ALA HA H 36 5.060 5.060 5.162 -0.102 19548 161 1 . 1 1 36 36 ALA CA C 36 49.329 49.329 49.634 -0.305 19548 162 1 . 1 1 36 36 ALA CB C 36 19.983 19.983 20.997 -1.014 19548 163 1 . 1 1 36 36 ALA H H 36 8.239 8.239 8.146 0.093 19548 164 1 . 1 1 37 37 PRO HA H 37 4.409 4.409 4.582 -0.173 19548 165 1 . 1 1 37 37 PRO CA C 37 62.901 62.901 62.232 0.669 19548 166 1 . 1 1 37 37 PRO CB C 37 32.399 32.399 32.450 -0.051 19548 167 1 . 1 1 38 38 LYS N N 38 121.055 121.055 121.257 -0.201 19548 168 1 . 1 1 38 38 LYS HA H 38 3.771 3.771 4.138 -0.367 19548 169 1 . 1 1 38 38 LYS CA C 38 58.837 58.837 57.720 1.117 19548 170 1 . 1 1 38 38 LYS CB C 38 31.852 31.852 31.841 0.011 19548 171 1 . 1 1 38 38 LYS H H 38 8.559 8.559 8.567 -0.008 19548 172 1 . 1 1 39 39 ASP N N 39 113.847 113.847 118.713 -4.866 19548 173 1 . 1 1 39 39 ASP HA H 39 4.341 4.341 4.486 -0.145 19548 174 1 . 1 1 39 39 ASP CA C 39 54.031 54.031 55.157 -1.126 19548 175 1 . 1 1 39 39 ASP CB C 39 39.804 39.804 40.979 -1.175 19548 176 1 . 1 1 39 39 ASP H H 39 8.139 8.139 8.336 -0.197 19548 177 1 . 1 1 40 40 VAL N N 40 122.630 122.630 114.555 8.075 19548 178 1 . 1 1 40 40 VAL HA H 40 3.951 3.951 4.479 -0.528 19548 179 1 . 1 1 40 40 VAL CA C 40 61.918 61.918 59.718 2.200 19548 180 1 . 1 1 40 40 VAL CB C 40 31.881 31.881 35.261 -3.380 19548 181 1 . 1 1 40 40 VAL H H 40 8.009 8.009 7.475 0.534 19548 182 1 . 1 1 41 41 ALA N N 41 133.597 133.597 124.017 9.580 19548 183 1 . 1 1 41 41 ALA HA H 41 4.447 4.447 4.896 -0.449 19548 184 1 . 1 1 41 41 ALA CA C 41 52.249 52.249 51.214 1.035 19548 185 1 . 1 1 41 41 ALA CB C 41 19.087 19.087 20.370 -1.283 19548 186 1 . 1 1 41 41 ALA H H 41 8.876 8.876 8.229 0.647 19548 187 1 . 1 1 42 42 VAL N N 42 125.047 125.047 117.824 7.223 19548 188 1 . 1 1 42 42 VAL HA H 42 4.404 4.404 4.363 0.041 19548 189 1 . 1 1 42 42 VAL CA C 42 60.587 60.587 61.391 -0.804 19548 190 1 . 1 1 42 42 VAL CB C 42 33.644 33.644 33.298 0.346 19548 191 1 . 1 1 42 42 VAL H H 42 7.805 7.805 7.794 0.011 19548 192 1 . 1 1 43 43 HIS N N 43 118.998 118.998 122.960 -3.962 19548 193 1 . 1 1 43 43 HIS HA H 43 5.481 5.481 4.807 0.674 19548 194 1 . 1 1 43 43 HIS CA C 43 53.970 53.970 55.298 -1.328 19548 195 1 . 1 1 43 43 HIS CB C 43 37.457 37.457 32.104 5.353 19548 196 1 . 1 1 43 43 HIS H H 43 8.657 8.657 8.275 0.382 19548 197 1 . 1 1 44 44 ARG N N 44 122.532 122.532 121.665 0.867 19548 198 1 . 1 1 44 44 ARG HA H 44 3.929 3.929 4.301 -0.372 19548 199 1 . 1 1 44 44 ARG CA C 44 58.401 58.401 56.115 2.286 19548 200 1 . 1 1 44 44 ARG H H 44 8.949 8.949 8.674 0.275 19548 201 1 . 1 1 45 45 GLU N N 45 126.110 126.110 123.164 2.946 19548 202 1 . 1 1 45 45 GLU HA H 45 4.351 4.351 4.017 0.334 19548 203 1 . 1 1 45 45 GLU CA C 45 59.692 59.692 59.688 0.005 19548 204 1 . 1 1 45 45 GLU CB C 45 30.052 30.052 29.688 0.364 19548 205 1 . 1 1 45 45 GLU H H 45 7.878 7.878 8.956 -1.079 19548 206 1 . 1 1 46 46 GLU N N 46 118.207 118.207 118.194 0.013 19548 207 1 . 1 1 46 46 GLU HA H 46 4.251 4.251 4.178 0.073 19548 208 1 . 1 1 46 46 GLU CA C 46 58.705 58.705 58.908 -0.202 19548 209 1 . 1 1 46 46 GLU CB C 46 27.062 27.062 29.230 -2.168 19548 210 1 . 1 1 46 46 GLU H H 46 10.784 10.784 8.645 2.139 19548 211 1 . 1 1 47 47 ILE N N 47 122.316 122.316 119.389 2.927 19548 212 1 . 1 1 47 47 ILE HA H 47 3.827 3.827 3.916 -0.089 19548 213 1 . 1 1 47 47 ILE CA C 47 61.180 61.180 62.269 -1.089 19548 214 1 . 1 1 47 47 ILE CB C 47 34.717 34.717 37.356 -2.639 19548 215 1 . 1 1 47 47 ILE H H 47 7.229 7.229 7.622 -0.393 19548 216 1 . 1 1 48 48 TYR N N 48 122.269 122.269 122.080 0.189 19548 217 1 . 1 1 48 48 TYR HA H 48 3.645 3.645 4.019 -0.374 19548 218 1 . 1 1 48 48 TYR CA C 48 62.072 62.072 61.820 0.252 19548 219 1 . 1 1 48 48 TYR CB C 48 39.049 39.049 38.204 0.845 19548 220 1 . 1 1 48 48 TYR H H 48 8.124 8.124 8.471 -0.347 19548 221 1 . 1 1 49 49 GLN N N 49 115.409 115.409 116.169 -0.760 19548 222 1 . 1 1 49 49 GLN HA H 49 3.836 3.836 3.977 -0.141 19548 223 1 . 1 1 49 49 GLN CA C 49 58.471 58.471 57.990 0.482 19548 224 1 . 1 1 49 49 GLN CB C 49 28.183 28.183 28.431 -0.248 19548 225 1 . 1 1 49 49 GLN H H 49 8.604 8.604 7.906 0.698 19548 226 1 . 1 1 50 50 ARG N N 50 120.065 120.065 116.881 3.184 19548 227 1 . 1 1 50 50 ARG HA H 50 3.989 3.989 4.227 -0.238 19548 228 1 . 1 1 50 50 ARG CA C 50 59.002 59.002 57.107 1.895 19548 229 1 . 1 1 50 50 ARG CB C 50 30.411 30.411 30.278 0.133 19548 230 1 . 1 1 50 50 ARG H H 50 7.165 7.165 7.581 -0.416 19548 231 1 . 1 1 51 51 ILE N N 51 120.716 120.716 118.405 2.311 19548 232 1 . 1 1 51 51 ILE HA H 51 3.617 3.617 4.007 -0.390 19548 233 1 . 1 1 51 51 ILE CA C 51 64.243 64.243 62.591 1.652 19548 234 1 . 1 1 51 51 ILE CB C 51 38.001 38.001 38.742 -0.741 19548 235 1 . 1 1 51 51 ILE H H 51 7.884 7.884 7.508 0.376 19548 236 1 . 1 1 52 52 GLN N N 52 118.921 118.921 118.599 0.322 19548 237 1 . 1 1 52 52 GLN HA H 52 3.807 3.807 4.045 -0.238 19548 238 1 . 1 1 52 52 GLN CA C 52 57.372 57.372 56.088 1.284 19548 239 1 . 1 1 52 52 GLN CB C 52 28.185 28.185 27.545 0.640 19548 240 1 . 1 1 52 52 GLN H H 52 7.905 7.905 7.784 0.121 19548 241 1 . 1 1 53 53 ALA N N 53 120.638 120.638 120.403 0.235 19548 242 1 . 1 1 53 53 ALA HA H 53 4.169 4.169 4.227 -0.058 19548 243 1 . 1 1 53 53 ALA CA C 53 53.093 53.093 52.849 0.244 19548 244 1 . 1 1 53 53 ALA CB C 53 18.574 18.574 19.105 -0.531 19548 245 1 . 1 1 53 53 ALA H H 53 7.601 7.601 7.790 -0.189 19548 246 1 . 1 1 54 54 GLY N N 54 105.799 105.799 104.578 1.221 19548 247 1 . 1 1 54 54 GLY CA C 54 45.517 45.517 45.036 0.481 19548 248 1 . 1 1 54 54 GLY H H 54 7.720 7.720 7.804 -0.084 19548 249 1 . 1 1 55 55 LEU N N 55 120.711 120.711 117.127 3.584 19548 250 1 . 1 1 55 55 LEU HA H 55 4.322 4.322 4.787 -0.465 19548 251 1 . 1 1 55 55 LEU CA C 55 55.256 55.256 54.510 0.746 19548 252 1 . 1 1 55 55 LEU CB C 55 42.263 42.263 42.543 -0.280 19548 253 1 . 1 1 55 55 LEU H H 55 7.687 7.687 7.873 -0.186 19548 254 1 . 1 1 56 56 THR N N 56 113.068 113.068 111.939 1.129 19548 255 1 . 1 1 56 56 THR HA H 56 4.245 4.245 4.264 -0.019 19548 256 1 . 1 1 56 56 THR CA C 56 61.383 61.383 62.636 -1.253 19548 257 1 . 1 1 56 56 THR CB C 56 69.836 69.836 68.787 1.049 19548 258 1 . 1 1 56 56 THR H H 56 7.746 7.746 8.120 -0.374 19548 259 1 . 1 1 57 57 ALA N N 57 127.221 127.221 123.165 4.056 19548 260 1 . 1 1 57 57 ALA HA H 57 4.491 4.491 4.673 -0.182 19548 261 1 . 1 1 57 57 ALA CA C 57 50.540 50.540 50.442 0.098 19548 262 1 . 1 1 57 57 ALA CB C 57 18.338 18.338 19.795 -1.457 19548 263 1 . 1 1 57 57 ALA H H 57 8.065 8.065 7.587 0.478 19548 264 1 . 1 1 58 58 PRO HA H 58 4.315 4.315 4.314 0.001 19548 265 1 . 1 1 58 58 PRO CA C 58 63.349 63.349 63.488 -0.139 19548 266 1 . 1 1 58 58 PRO CB C 58 31.930 31.930 32.260 -0.330 19548 stop_ save_