data_19340 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19340 _Entry.PDB_ID 2MAB 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 19340 _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 SER N N 2 117.112 117.112 116.736 0.376 19340 2 1 1 . 1 1 2 2 SER HA H 2 4.500 4.500 4.023 0.477 19340 3 1 1 . 1 1 2 2 SER CA C 2 58.547 58.547 58.182 0.365 19340 4 1 1 . 1 1 2 2 SER CB C 2 63.820 63.820 63.876 -0.056 19340 5 1 1 . 1 1 2 2 SER H H 2 8.748 8.748 7.981 0.767 19340 6 1 1 . 1 1 3 3 PHE N N 3 123.783 123.783 121.211 2.572 19340 7 1 1 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.475 -0.254 19340 8 1 1 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.850 2.241 19340 9 1 1 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.315 0.552 19340 10 1 1 . 1 1 3 3 PHE H H 3 8.398 8.398 8.517 -0.119 19340 11 1 1 . 1 1 4 4 GLY N N 4 106.435 106.435 108.171 -1.736 19340 12 1 1 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.795 0.424 19340 13 1 1 . 1 1 4 4 GLY H H 4 8.699 8.699 8.325 0.374 19340 14 1 1 . 1 1 5 5 LEU N N 5 121.041 121.041 119.970 1.071 19340 15 1 1 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.233 -0.102 19340 16 1 1 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.196 0.410 19340 17 1 1 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.569 0.222 19340 18 1 1 . 1 1 5 5 LEU H H 5 7.590 7.590 7.361 0.229 19340 19 1 1 . 1 1 6 6 VAL N N 6 118.980 118.980 114.454 4.526 19340 20 1 1 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.780 -0.079 19340 21 1 1 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.443 0.325 19340 22 1 1 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.784 0.539 19340 23 1 1 . 1 1 6 6 VAL H H 6 7.630 7.630 7.534 0.096 19340 24 1 1 . 1 1 7 7 LEU N N 7 120.127 120.127 117.221 2.906 19340 25 1 1 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.209 0.051 19340 26 1 1 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.145 0.926 19340 27 1 1 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.526 0.265 19340 28 1 1 . 1 1 7 7 LEU H H 7 8.171 8.171 7.456 0.715 19340 29 1 1 . 1 1 8 8 ASN N N 8 114.592 114.592 114.996 -0.404 19340 30 1 1 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.739 0.085 19340 31 1 1 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.271 -0.548 19340 32 1 1 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.294 0.047 19340 33 1 1 . 1 1 8 8 ASN H H 8 7.602 7.602 7.360 0.242 19340 34 1 1 . 1 1 9 9 SER N N 9 116.029 116.029 116.507 -0.478 19340 35 1 1 . 1 1 9 9 SER HA H 9 4.690 4.690 4.619 0.071 19340 36 1 1 . 1 1 9 9 SER CA C 9 56.675 56.675 57.132 -0.457 19340 37 1 1 . 1 1 9 9 SER CB C 9 64.210 64.210 63.580 0.630 19340 38 1 1 . 1 1 9 9 SER H H 9 7.186 7.186 7.805 -0.619 19340 39 1 1 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.453 -0.014 19340 40 1 1 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.513 0.194 19340 41 1 1 . 1 1 10 10 PRO CB C 10 32.044 32.044 31.991 0.053 19340 42 1 1 . 1 1 11 11 ASN N N 11 114.702 114.702 114.544 0.158 19340 43 1 1 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.858 0.201 19340 44 1 1 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.989 0.777 19340 45 1 1 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.942 2.345 19340 46 1 1 . 1 1 11 11 ASN H H 11 8.150 8.150 7.936 0.214 19340 47 1 1 . 1 1 12 12 GLY N N 12 122.938 122.938 109.776 13.162 19340 48 1 1 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.739 -1.618 19340 49 1 1 . 1 1 12 12 GLY H H 12 7.324 7.324 7.679 -0.355 19340 50 1 1 . 1 1 13 13 LEU N N 13 124.662 124.662 119.876 4.786 19340 51 1 1 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.519 -0.790 19340 52 1 1 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.183 2.837 19340 53 1 1 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.452 1.233 19340 54 1 1 . 1 1 13 13 LEU H H 13 9.253 9.253 8.381 0.872 19340 55 1 1 . 1 1 14 14 ARG N N 14 113.071 113.071 118.921 -5.850 19340 56 1 1 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.178 0.110 19340 57 1 1 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.143 -0.753 19340 58 1 1 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.305 -0.266 19340 59 1 1 . 1 1 14 14 ARG H H 14 8.168 8.168 8.218 -0.050 19340 60 1 1 . 1 1 15 15 SER N N 15 118.055 118.055 114.068 3.987 19340 61 1 1 . 1 1 15 15 SER HA H 15 4.690 4.690 4.720 -0.030 19340 62 1 1 . 1 1 15 15 SER CA C 15 57.520 57.520 57.423 0.097 19340 63 1 1 . 1 1 15 15 SER CB C 15 65.463 65.463 64.050 1.413 19340 64 1 1 . 1 1 15 15 SER H H 15 8.264 8.264 7.683 0.581 19340 65 1 1 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.341 0.036 19340 66 1 1 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.994 0.360 19340 67 1 1 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.990 -0.224 19340 68 1 1 . 1 1 17 17 GLN N N 17 117.374 117.374 118.065 -0.691 19340 69 1 1 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.053 0.062 19340 70 1 1 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.782 0.489 19340 71 1 1 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.234 0.660 19340 72 1 1 . 1 1 17 17 GLN H H 17 8.661 8.661 8.736 -0.075 19340 73 1 1 . 1 1 18 18 ALA N N 18 122.904 122.904 122.899 0.005 19340 74 1 1 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.391 -0.522 19340 75 1 1 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.228 1.161 19340 76 1 1 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.402 0.915 19340 77 1 1 . 1 1 18 18 ALA H H 18 7.785 7.785 8.118 -0.333 19340 78 1 1 . 1 1 19 19 LYS N N 19 116.947 116.947 119.145 -2.198 19340 79 1 1 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.036 -0.284 19340 80 1 1 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.284 1.446 19340 81 1 1 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.297 -0.699 19340 82 1 1 . 1 1 19 19 LYS H H 19 7.410 7.410 7.633 -0.223 19340 83 1 1 . 1 1 20 20 ALA N N 20 119.887 119.887 122.008 -2.121 19340 84 1 1 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.033 0.138 19340 85 1 1 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.026 -0.017 19340 86 1 1 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.468 -0.181 19340 87 1 1 . 1 1 20 20 ALA H H 20 7.362 7.362 7.598 -0.236 19340 88 1 1 . 1 1 21 21 ARG N N 21 118.182 118.182 118.861 -0.679 19340 89 1 1 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.031 0.017 19340 90 1 1 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.292 1.300 19340 91 1 1 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.314 1.702 19340 92 1 1 . 1 1 21 21 ARG H H 21 7.502 7.502 7.589 -0.087 19340 93 1 1 . 1 1 22 22 ILE N N 22 122.484 122.484 119.884 2.600 19340 94 1 1 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.685 -0.140 19340 95 1 1 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.400 0.610 19340 96 1 1 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.548 0.456 19340 97 1 1 . 1 1 22 22 ILE H H 22 9.258 9.258 8.089 1.169 19340 98 1 1 . 1 1 23 23 ASN N N 23 119.721 119.721 118.427 1.294 19340 99 1 1 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.348 -0.071 19340 100 1 1 . 1 1 23 23 ASN CA C 23 57.158 57.158 57.002 0.156 19340 101 1 1 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.179 0.771 19340 102 1 1 . 1 1 23 23 ASN H H 23 8.395 8.395 8.035 0.360 19340 103 1 1 . 1 1 24 24 ASN N N 24 117.554 117.554 117.963 -0.409 19340 104 1 1 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.499 -0.004 19340 105 1 1 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.785 0.674 19340 106 1 1 . 1 1 24 24 ASN CB C 24 37.954 37.954 37.993 -0.039 19340 107 1 1 . 1 1 24 24 ASN H H 24 8.002 8.002 7.689 0.313 19340 108 1 1 . 1 1 25 25 LEU N N 25 123.367 123.367 121.998 1.369 19340 109 1 1 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.134 0.020 19340 110 1 1 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.408 -0.491 19340 111 1 1 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.919 1.014 19340 112 1 1 . 1 1 25 25 LEU H H 25 8.235 8.235 7.611 0.624 19340 113 1 1 . 1 1 26 26 ALA N N 26 123.137 123.137 120.128 3.009 19340 114 1 1 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.093 -0.224 19340 115 1 1 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.790 0.918 19340 116 1 1 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.172 -1.222 19340 117 1 1 . 1 1 26 26 ALA H H 26 9.068 9.068 8.429 0.639 19340 118 1 1 . 1 1 27 27 SER N N 27 113.809 113.809 113.148 0.661 19340 119 1 1 . 1 1 27 27 SER HA H 27 4.182 4.182 4.434 -0.252 19340 120 1 1 . 1 1 27 27 SER CA C 27 62.075 62.075 60.135 1.940 19340 121 1 1 . 1 1 27 27 SER CB C 27 62.929 62.929 64.013 -1.083 19340 122 1 1 . 1 1 27 27 SER H H 27 8.004 8.004 7.403 0.601 19340 123 1 1 . 1 1 28 28 ALA N N 28 124.782 124.782 125.646 -0.864 19340 124 1 1 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.062 0.142 19340 125 1 1 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.183 0.077 19340 126 1 1 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.436 -0.734 19340 127 1 1 . 1 1 28 28 ALA H H 28 7.970 7.970 7.873 0.097 19340 128 1 1 . 1 1 29 29 LEU N N 29 117.907 117.907 117.653 0.254 19340 129 1 1 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.863 -0.039 19340 130 1 1 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.085 -0.090 19340 131 1 1 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.382 1.144 19340 132 1 1 . 1 1 29 29 LEU H H 29 8.960 8.960 8.749 0.211 19340 133 1 1 . 1 1 30 30 SER N N 30 112.859 112.859 112.383 0.476 19340 134 1 1 . 1 1 30 30 SER HA H 30 4.076 4.076 4.072 0.004 19340 135 1 1 . 1 1 30 30 SER CA C 30 61.998 61.998 60.842 1.156 19340 136 1 1 . 1 1 30 30 SER CB C 30 63.012 63.012 62.934 0.078 19340 137 1 1 . 1 1 30 30 SER H H 30 7.951 7.951 7.896 0.055 19340 138 1 1 . 1 1 31 31 THR N N 31 109.820 109.820 115.931 -6.111 19340 139 1 1 . 1 1 31 31 THR HA H 31 4.472 4.472 4.242 0.230 19340 140 1 1 . 1 1 31 31 THR CA C 31 62.731 62.731 64.508 -1.777 19340 141 1 1 . 1 1 31 31 THR CB C 31 69.362 69.362 69.168 0.194 19340 142 1 1 . 1 1 31 31 THR H H 31 7.164 7.164 7.485 -0.321 19340 143 1 1 . 1 1 32 32 ALA N N 32 122.926 122.926 122.897 0.029 19340 144 1 1 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.277 0.150 19340 145 1 1 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.510 -0.425 19340 146 1 1 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.860 0.766 19340 147 1 1 . 1 1 32 32 ALA H H 32 7.997 7.997 7.638 0.359 19340 148 1 1 . 1 1 33 33 VAL N N 33 116.339 116.339 117.370 -1.031 19340 149 1 1 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.070 0.391 19340 150 1 1 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.613 -1.012 19340 151 1 1 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.924 0.705 19340 152 1 1 . 1 1 33 33 VAL H H 33 7.550 7.550 8.013 -0.463 19340 153 1 1 . 1 1 34 34 GLY N N 34 113.114 113.114 114.094 -0.980 19340 154 1 1 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.880 -0.611 19340 155 1 1 . 1 1 34 34 GLY H H 34 7.886 7.886 8.550 -0.664 19340 156 1 1 . 1 1 35 35 ARG N N 35 120.709 120.709 120.254 0.455 19340 157 1 1 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.318 0.065 19340 158 1 1 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.054 0.846 19340 159 1 1 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.691 0.181 19340 160 1 1 . 1 1 35 35 ARG H H 35 8.773 8.773 8.454 0.319 19340 161 1 1 . 1 1 36 36 ASN N N 36 114.578 114.578 116.787 -2.209 19340 162 1 1 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.734 0.090 19340 163 1 1 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.296 0.798 19340 164 1 1 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.254 0.363 19340 165 1 1 . 1 1 36 36 ASN H H 36 8.628 8.628 7.986 0.642 19340 166 1 1 . 1 1 37 37 GLY N N 37 108.462 108.462 110.072 -1.610 19340 167 1 1 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.822 -1.105 19340 168 1 1 . 1 1 37 37 GLY H H 37 7.880 7.880 7.986 -0.106 19340 169 1 1 . 1 1 38 38 VAL N N 38 121.761 121.761 120.500 1.261 19340 170 1 1 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.237 0.140 19340 171 1 1 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.373 -0.307 19340 172 1 1 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.968 -0.197 19340 173 1 1 . 1 1 38 38 VAL H H 38 8.565 8.565 7.768 0.797 19340 174 1 1 . 1 1 39 39 ASP N N 39 127.585 127.585 128.066 -0.481 19340 175 1 1 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.895 -0.244 19340 176 1 1 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.811 1.034 19340 177 1 1 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.524 0.905 19340 178 1 1 . 1 1 39 39 ASP H H 39 9.007 9.007 8.523 0.484 19340 179 1 1 . 1 1 40 40 VAL N N 40 129.021 129.021 126.716 2.305 19340 180 1 1 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.803 -0.308 19340 181 1 1 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.049 2.350 19340 182 1 1 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.505 0.846 19340 183 1 1 . 1 1 40 40 VAL H H 40 8.632 8.632 8.662 -0.030 19340 184 1 1 . 1 1 41 41 ASN N N 41 122.301 122.301 118.639 3.662 19340 185 1 1 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.344 0.106 19340 186 1 1 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.778 0.233 19340 187 1 1 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.393 -0.556 19340 188 1 1 . 1 1 41 41 ASN H H 41 8.673 8.673 7.949 0.724 19340 189 1 1 . 1 1 42 42 ALA N N 42 124.313 124.313 122.588 1.725 19340 190 1 1 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.259 -0.061 19340 191 1 1 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.605 0.266 19340 192 1 1 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.438 0.239 19340 193 1 1 . 1 1 42 42 ALA H H 42 8.420 8.420 7.477 0.943 19340 194 1 1 . 1 1 43 43 PHE N N 43 119.198 119.198 119.683 -0.485 19340 195 1 1 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.204 0.279 19340 196 1 1 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.103 -0.936 19340 197 1 1 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.528 0.646 19340 198 1 1 . 1 1 43 43 PHE H H 43 8.611 8.611 8.809 -0.198 19340 199 1 1 . 1 1 44 44 THR N N 44 116.700 116.700 114.233 2.467 19340 200 1 1 . 1 1 44 44 THR HA H 44 4.349 4.349 3.748 0.601 19340 201 1 1 . 1 1 44 44 THR CA C 44 68.443 68.443 65.661 2.782 19340 202 1 1 . 1 1 44 44 THR CB C 44 68.248 68.248 68.341 -0.093 19340 203 1 1 . 1 1 44 44 THR H H 44 8.881 8.881 8.732 0.149 19340 204 1 1 . 1 1 45 45 SER N N 45 116.018 116.018 116.904 -0.886 19340 205 1 1 . 1 1 45 45 SER HA H 45 4.117 4.117 4.183 -0.066 19340 206 1 1 . 1 1 45 45 SER CA C 45 62.507 62.507 62.317 0.190 19340 207 1 1 . 1 1 45 45 SER CB C 45 62.706 62.706 62.996 -0.290 19340 208 1 1 . 1 1 45 45 SER H H 45 8.020 8.020 7.727 0.293 19340 209 1 1 . 1 1 46 46 GLY N N 46 108.460 108.460 108.890 -0.430 19340 210 1 1 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.737 0.369 19340 211 1 1 . 1 1 46 46 GLY H H 46 7.871 7.871 7.707 0.164 19340 212 1 1 . 1 1 47 47 LEU N N 47 123.148 123.148 122.662 0.486 19340 213 1 1 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.986 -0.156 19340 214 1 1 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.304 1.036 19340 215 1 1 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.443 0.989 19340 216 1 1 . 1 1 47 47 LEU H H 47 8.221 8.221 7.374 0.847 19340 217 1 1 . 1 1 48 48 ARG N N 48 118.694 118.694 119.114 -0.420 19340 218 1 1 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.965 -0.118 19340 219 1 1 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.795 0.443 19340 220 1 1 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.805 0.539 19340 221 1 1 . 1 1 48 48 ARG H H 48 8.646 8.646 8.394 0.252 19340 222 1 1 . 1 1 49 49 ALA N N 49 122.114 122.114 120.611 1.503 19340 223 1 1 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.247 -0.088 19340 224 1 1 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.937 0.271 19340 225 1 1 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.150 -0.058 19340 226 1 1 . 1 1 49 49 ALA H H 49 8.078 8.078 7.620 0.458 19340 227 1 1 . 1 1 50 50 THR N N 50 115.708 115.708 116.896 -1.188 19340 228 1 1 . 1 1 50 50 THR HA H 50 3.696 3.696 4.031 -0.335 19340 229 1 1 . 1 1 50 50 THR CA C 50 67.692 67.692 66.914 0.778 19340 230 1 1 . 1 1 50 50 THR CB C 50 68.599 68.599 68.901 -0.302 19340 231 1 1 . 1 1 50 50 THR H H 50 7.577 7.577 7.600 -0.023 19340 232 1 1 . 1 1 51 51 LEU N N 51 121.108 121.108 122.877 -1.769 19340 233 1 1 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.113 -0.322 19340 234 1 1 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.749 0.504 19340 235 1 1 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.847 1.139 19340 236 1 1 . 1 1 51 51 LEU H H 51 8.014 8.014 8.782 -0.768 19340 237 1 1 . 1 1 52 52 SER N N 52 115.122 115.122 114.228 0.894 19340 238 1 1 . 1 1 52 52 SER HA H 52 4.154 4.154 4.104 0.050 19340 239 1 1 . 1 1 52 52 SER CA C 52 61.765 61.765 61.405 0.360 19340 240 1 1 . 1 1 52 52 SER CB C 52 62.901 62.901 62.801 0.100 19340 241 1 1 . 1 1 52 52 SER H H 52 8.442 8.442 7.914 0.528 19340 242 1 1 . 1 1 53 53 ASN N N 53 119.438 119.438 120.179 -0.741 19340 243 1 1 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.491 0.149 19340 244 1 1 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.160 -0.167 19340 245 1 1 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.783 0.724 19340 246 1 1 . 1 1 53 53 ASN H H 53 7.705 7.705 7.860 -0.155 19340 247 1 1 . 1 1 54 54 LEU N N 54 120.042 120.042 120.744 -0.702 19340 248 1 1 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.253 -0.060 19340 249 1 1 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.507 -0.392 19340 250 1 1 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.055 0.934 19340 251 1 1 . 1 1 54 54 LEU H H 54 7.811 7.811 8.695 -0.884 19340 252 1 1 . 1 1 55 55 GLY N N 55 109.450 109.450 105.947 3.503 19340 253 1 1 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.537 1.139 19340 254 1 1 . 1 1 55 55 GLY H H 55 8.074 8.074 8.197 -0.123 19340 255 1 1 . 1 1 56 56 ASP N N 56 121.016 121.016 117.901 3.115 19340 256 1 1 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.828 -0.071 19340 257 1 1 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.327 1.484 19340 258 1 1 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.405 -0.867 19340 259 1 1 . 1 1 56 56 ASP H H 56 8.144 8.144 7.501 0.643 19340 260 1 1 . 1 1 57 57 SER N N 57 113.978 113.978 114.954 -0.976 19340 261 1 1 . 1 1 57 57 SER HA H 57 4.305 4.305 4.494 -0.189 19340 262 1 1 . 1 1 57 57 SER CA C 57 60.031 60.031 59.820 0.211 19340 263 1 1 . 1 1 57 57 SER CB C 57 65.212 65.212 64.224 0.988 19340 264 1 1 . 1 1 57 57 SER H H 57 7.742 7.742 7.866 -0.124 19340 265 1 1 . 1 1 58 58 GLY N N 58 110.315 110.315 107.354 2.961 19340 266 1 1 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.974 0.716 19340 267 1 1 . 1 1 58 58 GLY H H 58 8.306 8.306 7.879 0.427 19340 268 1 1 . 1 1 59 59 MET N N 59 120.024 120.024 116.756 3.268 19340 269 1 1 . 1 1 59 59 MET HA H 59 4.416 4.416 4.866 -0.450 19340 270 1 1 . 1 1 59 59 MET CA C 59 56.597 56.597 54.502 2.095 19340 271 1 1 . 1 1 59 59 MET CB C 59 34.328 34.328 34.237 0.090 19340 272 1 1 . 1 1 59 59 MET H H 59 7.686 7.686 7.302 0.384 19340 273 1 1 . 1 1 60 60 SER N N 60 122.795 122.795 114.542 8.253 19340 274 1 1 . 1 1 60 60 SER HA H 60 4.601 4.601 4.783 -0.182 19340 275 1 1 . 1 1 60 60 SER CA C 60 57.598 57.598 54.806 2.792 19340 276 1 1 . 1 1 60 60 SER CB C 60 62.511 62.511 64.918 -2.407 19340 277 1 1 . 1 1 60 60 SER H H 60 9.088 9.088 8.304 0.784 19340 278 1 1 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.532 -0.317 19340 279 1 1 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.227 2.395 19340 280 1 1 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.951 0.010 19340 281 1 1 . 1 1 62 62 ASN N N 62 113.170 113.170 116.737 -3.567 19340 282 1 1 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.792 -0.415 19340 283 1 1 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.095 1.321 19340 284 1 1 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.901 -1.897 19340 285 1 1 . 1 1 62 62 ASN H H 62 8.389 8.389 8.456 -0.067 19340 286 1 1 . 1 1 63 63 GLU N N 63 120.222 120.222 120.804 -0.582 19340 287 1 1 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.131 -0.379 19340 288 1 1 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.656 1.012 19340 289 1 1 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.174 8.663 19340 290 1 1 . 1 1 63 63 GLU H H 63 7.428 7.428 7.561 -0.133 19340 291 1 1 . 1 1 64 64 ALA N N 64 120.568 120.568 122.074 -1.506 19340 292 1 1 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.061 0.015 19340 293 1 1 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.429 -0.609 19340 294 1 1 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.561 -0.219 19340 295 1 1 . 1 1 64 64 ALA H H 64 8.640 8.640 7.785 0.855 19340 296 1 1 . 1 1 65 65 LYS N N 65 115.104 115.104 116.668 -1.564 19340 297 1 1 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.005 -0.382 19340 298 1 1 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.162 1.714 19340 299 1 1 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.161 0.691 19340 300 1 1 . 1 1 65 65 LYS H H 65 7.472 7.472 8.280 -0.808 19340 301 1 1 . 1 1 66 66 VAL N N 66 116.911 116.911 119.195 -2.284 19340 302 1 1 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.997 -0.446 19340 303 1 1 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.366 2.938 19340 304 1 1 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.087 -0.544 19340 305 1 1 . 1 1 66 66 VAL H H 66 7.045 7.045 7.259 -0.214 19340 306 1 1 . 1 1 67 67 GLU N N 67 120.755 120.755 119.928 0.827 19340 307 1 1 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.109 -0.067 19340 308 1 1 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.936 -1.527 19340 309 1 1 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.745 3.190 19340 310 1 1 . 1 1 67 67 GLU H H 67 8.439 8.439 8.643 -0.204 19340 311 1 1 . 1 1 68 68 VAL N N 68 119.280 119.280 115.942 3.338 19340 312 1 1 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.778 -0.423 19340 313 1 1 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.165 1.268 19340 314 1 1 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.014 -0.362 19340 315 1 1 . 1 1 68 68 VAL H H 68 8.473 8.473 8.015 0.458 19340 316 1 1 . 1 1 69 69 LEU N N 69 117.578 117.578 119.711 -2.133 19340 317 1 1 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.994 -0.036 19340 318 1 1 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.518 0.839 19340 319 1 1 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.307 0.791 19340 320 1 1 . 1 1 69 69 LEU H H 69 7.292 7.292 7.673 -0.381 19340 321 1 1 . 1 1 70 70 LEU N N 70 118.482 118.482 118.949 -0.467 19340 322 1 1 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.953 0.028 19340 323 1 1 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.923 0.451 19340 324 1 1 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.904 0.277 19340 325 1 1 . 1 1 70 70 LEU H H 70 8.237 8.237 7.533 0.704 19340 326 1 1 . 1 1 71 71 GLU N N 71 123.582 123.582 119.748 3.834 19340 327 1 1 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.957 -0.233 19340 328 1 1 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.781 1.302 19340 329 1 1 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.633 7.676 19340 330 1 1 . 1 1 71 71 GLU H H 71 8.915 8.915 7.860 1.055 19340 331 1 1 . 1 1 72 72 ALA N N 72 123.321 123.321 121.692 1.629 19340 332 1 1 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.168 -0.104 19340 333 1 1 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.146 0.554 19340 334 1 1 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.767 -0.926 19340 335 1 1 . 1 1 72 72 ALA H H 72 8.994 8.994 8.255 0.739 19340 336 1 1 . 1 1 73 73 LEU N N 73 118.574 118.574 119.331 -0.757 19340 337 1 1 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.022 -0.064 19340 338 1 1 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.688 0.548 19340 339 1 1 . 1 1 73 73 LEU CB C 73 42.348 42.348 42.100 0.248 19340 340 1 1 . 1 1 73 73 LEU H H 73 8.544 8.544 7.584 0.960 19340 341 1 1 . 1 1 74 74 THR N N 74 115.785 115.785 115.826 -0.041 19340 342 1 1 . 1 1 74 74 THR HA H 74 3.578 3.578 3.854 -0.276 19340 343 1 1 . 1 1 74 74 THR CA C 74 68.727 68.727 67.360 1.367 19340 344 1 1 . 1 1 74 74 THR CB C 74 67.691 67.691 68.534 -0.843 19340 345 1 1 . 1 1 74 74 THR H H 74 8.137 8.137 8.273 -0.136 19340 346 1 1 . 1 1 75 75 ALA N N 75 123.543 123.543 122.669 0.874 19340 347 1 1 . 1 1 75 75 ALA HA H 75 3.696 3.696 3.964 -0.268 19340 348 1 1 . 1 1 75 75 ALA CA C 75 55.562 55.562 55.154 0.408 19340 349 1 1 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.249 1.124 19340 350 1 1 . 1 1 75 75 ALA H H 75 8.585 8.585 7.682 0.903 19340 351 1 1 . 1 1 76 76 ALA N N 76 118.729 118.729 120.907 -2.178 19340 352 1 1 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.015 -0.241 19340 353 1 1 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.409 1.032 19340 354 1 1 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.582 -0.434 19340 355 1 1 . 1 1 76 76 ALA H H 76 8.199 8.199 7.213 0.986 19340 356 1 1 . 1 1 77 77 LEU N N 77 117.321 117.321 119.323 -2.002 19340 357 1 1 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.818 0.057 19340 358 1 1 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.798 0.404 19340 359 1 1 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.727 -1.105 19340 360 1 1 . 1 1 77 77 LEU H H 77 8.265 8.265 8.773 -0.508 19340 361 1 1 . 1 1 78 78 GLN N N 78 121.687 121.687 117.919 3.768 19340 362 1 1 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.018 -0.205 19340 363 1 1 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.286 0.347 19340 364 1 1 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.041 4.398 19340 365 1 1 . 1 1 78 78 GLN H H 78 8.776 8.776 8.083 0.693 19340 366 1 1 . 1 1 79 79 LEU N N 79 120.042 120.042 120.214 -0.172 19340 367 1 1 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.178 -0.170 19340 368 1 1 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.331 0.405 19340 369 1 1 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.152 0.391 19340 370 1 1 . 1 1 79 79 LEU H H 79 7.990 7.990 7.310 0.680 19340 371 1 1 . 1 1 80 80 LEU N N 80 122.157 122.157 120.476 1.681 19340 372 1 1 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.007 -0.183 19340 373 1 1 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.020 1.069 19340 374 1 1 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.930 2.474 19340 375 1 1 . 1 1 80 80 LEU H H 80 8.454 8.454 8.518 -0.064 19340 376 1 1 . 1 1 81 81 SER N N 81 114.179 114.179 114.358 -0.179 19340 377 1 1 . 1 1 81 81 SER HA H 81 3.897 3.897 4.238 -0.341 19340 378 1 1 . 1 1 81 81 SER CA C 81 61.756 61.756 60.610 1.146 19340 379 1 1 . 1 1 81 81 SER CB C 81 63.486 63.486 62.901 0.584 19340 380 1 1 . 1 1 81 81 SER H H 81 8.006 8.006 7.907 0.099 19340 381 1 1 . 1 1 82 82 SER N N 82 113.392 113.392 114.605 -1.213 19340 382 1 1 . 1 1 82 82 SER HA H 82 4.718 4.718 4.686 0.032 19340 383 1 1 . 1 1 82 82 SER CA C 82 57.718 57.718 57.664 0.054 19340 384 1 1 . 1 1 82 82 SER CB C 82 64.377 64.377 64.396 -0.019 19340 385 1 1 . 1 1 82 82 SER H H 82 7.160 7.160 7.938 -0.778 19340 386 1 1 . 1 1 83 83 SER N N 83 117.607 117.607 118.523 -0.916 19340 387 1 1 . 1 1 83 83 SER HA H 83 4.885 4.885 4.612 0.273 19340 388 1 1 . 1 1 83 83 SER CA C 83 59.263 59.263 57.864 1.399 19340 389 1 1 . 1 1 83 83 SER CB C 83 65.352 65.352 64.888 0.464 19340 390 1 1 . 1 1 83 83 SER H H 83 7.369 7.369 7.742 -0.373 19340 391 1 1 . 1 1 84 84 THR N N 84 117.656 117.656 114.364 3.292 19340 392 1 1 . 1 1 84 84 THR HA H 84 4.545 4.545 4.431 0.114 19340 393 1 1 . 1 1 84 84 THR CA C 84 62.006 62.006 62.202 -0.196 19340 394 1 1 . 1 1 84 84 THR CB C 84 69.724 69.724 69.251 0.472 19340 395 1 1 . 1 1 84 84 THR H H 84 8.488 8.488 8.271 0.217 19340 396 1 1 . 1 1 85 85 LEU N N 85 130.429 130.429 119.703 10.726 19340 397 1 1 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.114 0.174 19340 398 1 1 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.253 1.042 19340 399 1 1 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.484 1.906 19340 400 1 1 . 1 1 85 85 LEU H H 85 8.878 8.878 7.679 1.199 19340 401 1 1 . 1 1 86 86 GLY N N 86 112.150 112.150 107.364 4.786 19340 402 1 1 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.595 -1.793 19340 403 1 1 . 1 1 86 86 GLY H H 86 7.901 7.901 8.907 -1.006 19340 404 1 1 . 1 1 87 87 ALA N N 87 122.559 122.559 122.486 0.073 19340 405 1 1 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.486 -0.202 19340 406 1 1 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.122 -0.167 19340 407 1 1 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.689 -0.344 19340 408 1 1 . 1 1 87 87 ALA H H 87 8.113 8.113 7.605 0.508 19340 409 1 1 . 1 1 88 88 VAL N N 88 122.375 122.375 118.238 4.137 19340 410 1 1 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.270 -0.463 19340 411 1 1 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.789 0.174 19340 412 1 1 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.835 -0.206 19340 413 1 1 . 1 1 88 88 VAL H H 88 8.447 8.447 8.332 0.115 19340 414 1 1 . 1 1 89 89 ASP N N 89 127.408 127.408 119.519 7.889 19340 415 1 1 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.455 0.403 19340 416 1 1 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.485 -1.883 19340 417 1 1 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.083 0.734 19340 418 1 1 . 1 1 89 89 ASP H H 89 8.570 8.570 8.414 0.156 19340 419 1 1 . 1 1 90 90 THR N N 90 116.481 116.481 109.849 6.632 19340 420 1 1 . 1 1 90 90 THR HA H 90 3.953 3.953 4.096 -0.143 19340 421 1 1 . 1 1 90 90 THR CA C 90 63.879 63.879 64.093 -0.214 19340 422 1 1 . 1 1 90 90 THR CB C 90 68.833 68.833 69.113 -0.280 19340 423 1 1 . 1 1 90 90 THR H H 90 8.539 8.539 8.289 0.250 19340 424 1 1 . 1 1 91 91 THR N N 91 114.681 114.681 114.832 -0.151 19340 425 1 1 . 1 1 91 91 THR HA H 91 4.182 4.182 4.282 -0.100 19340 426 1 1 . 1 1 91 91 THR CA C 91 64.750 64.750 64.093 0.657 19340 427 1 1 . 1 1 91 91 THR CB C 91 69.055 69.055 68.714 0.341 19340 428 1 1 . 1 1 91 91 THR H H 91 8.335 8.335 7.923 0.412 19340 429 1 1 . 1 1 92 92 SER N N 92 114.236 114.236 117.038 -2.802 19340 430 1 1 . 1 1 92 92 SER HA H 92 4.668 4.668 4.617 0.051 19340 431 1 1 . 1 1 92 92 SER CA C 92 58.460 58.460 58.478 -0.018 19340 432 1 1 . 1 1 92 92 SER CB C 92 64.433 64.433 63.482 0.951 19340 433 1 1 . 1 1 92 92 SER H H 92 7.642 7.642 7.609 0.033 19340 434 1 1 . 1 1 93 93 ILE N N 93 122.128 122.128 123.183 -1.055 19340 435 1 1 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.767 0.046 19340 436 1 1 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.185 -0.055 19340 437 1 1 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.252 0.947 19340 438 1 1 . 1 1 93 93 ILE H H 93 7.276 7.276 7.164 0.112 19340 439 1 1 . 1 1 94 94 GLY N N 94 108.426 108.426 107.224 1.202 19340 440 1 1 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.230 -0.231 19340 441 1 1 . 1 1 94 94 GLY H H 94 8.756 8.756 8.651 0.105 19340 442 1 1 . 1 1 95 95 LEU N N 95 123.674 123.674 122.376 1.298 19340 443 1 1 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.165 0.117 19340 444 1 1 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.632 0.397 19340 445 1 1 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.777 -0.515 19340 446 1 1 . 1 1 95 95 LEU H H 95 7.568 7.568 7.567 0.001 19340 447 1 1 . 1 1 96 96 THR N N 96 119.717 119.717 117.267 2.450 19340 448 1 1 . 1 1 96 96 THR HA H 96 3.837 3.837 3.929 -0.092 19340 449 1 1 . 1 1 96 96 THR CA C 96 66.683 66.683 67.345 -0.662 19340 450 1 1 . 1 1 96 96 THR CB C 96 67.969 67.969 68.428 -0.459 19340 451 1 1 . 1 1 96 96 THR H H 96 8.430 8.430 8.439 -0.009 19340 452 1 1 . 1 1 97 97 SER N N 97 117.285 117.285 116.609 0.676 19340 453 1 1 . 1 1 97 97 SER HA H 97 4.094 4.094 4.138 -0.044 19340 454 1 1 . 1 1 97 97 SER CA C 97 62.507 62.507 61.793 0.714 19340 455 1 1 . 1 1 97 97 SER CB C 97 62.845 62.845 63.053 -0.208 19340 456 1 1 . 1 1 97 97 SER H H 97 9.000 9.000 8.750 0.250 19340 457 1 1 . 1 1 98 98 ASN N N 98 121.846 121.846 119.317 2.529 19340 458 1 1 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.616 -0.228 19340 459 1 1 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.535 1.347 19340 460 1 1 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.654 0.180 19340 461 1 1 . 1 1 98 98 ASN H H 98 7.939 7.939 7.662 0.277 19340 462 1 1 . 1 1 99 99 SER N N 99 117.585 117.585 117.170 0.415 19340 463 1 1 . 1 1 99 99 SER HA H 99 4.204 4.204 4.310 -0.106 19340 464 1 1 . 1 1 99 99 SER CA C 99 62.886 62.886 62.068 0.818 19340 465 1 1 . 1 1 99 99 SER CB C 99 62.984 62.984 63.346 -0.362 19340 466 1 1 . 1 1 99 99 SER H H 99 8.370 8.370 8.229 0.141 19340 467 1 1 . 1 1 100 100 VAL N N 100 121.524 121.524 119.364 2.160 19340 468 1 1 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.915 -0.364 19340 469 1 1 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.518 1.433 19340 470 1 1 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.290 0.364 19340 471 1 1 . 1 1 100 100 VAL H H 100 8.565 8.565 8.332 0.233 19340 472 1 1 . 1 1 101 101 SER N N 101 113.005 113.005 116.060 -3.055 19340 473 1 1 . 1 1 101 101 SER HA H 101 3.875 3.875 4.125 -0.250 19340 474 1 1 . 1 1 101 101 SER CA C 101 62.326 62.326 61.537 0.789 19340 475 1 1 . 1 1 101 101 SER CB C 101 63.263 63.263 62.789 0.473 19340 476 1 1 . 1 1 101 101 SER H H 101 8.272 8.272 7.831 0.441 19340 477 1 1 . 1 1 102 102 LYS N N 102 119.357 119.357 121.425 -2.068 19340 478 1 1 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.104 -0.084 19340 479 1 1 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.013 0.586 19340 480 1 1 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.505 0.638 19340 481 1 1 . 1 1 102 102 LYS H H 102 7.953 7.953 7.776 0.177 19340 482 1 1 . 1 1 103 103 ALA N N 103 120.882 120.882 122.726 -1.844 19340 483 1 1 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.993 0.250 19340 484 1 1 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.873 -0.285 19340 485 1 1 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.276 2.350 19340 486 1 1 . 1 1 103 103 ALA H H 103 8.049 8.049 8.314 -0.265 19340 487 1 1 . 1 1 104 104 VAL N N 104 116.191 116.191 118.724 -2.533 19340 488 1 1 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.373 -0.124 19340 489 1 1 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.726 0.388 19340 490 1 1 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.798 -0.784 19340 491 1 1 . 1 1 104 104 VAL H H 104 8.572 8.572 8.206 0.366 19340 492 1 1 . 1 1 105 105 ALA N N 105 121.884 121.884 120.424 1.460 19340 493 1 1 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.222 -0.331 19340 494 1 1 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.362 0.941 19340 495 1 1 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.360 0.122 19340 496 1 1 . 1 1 105 105 ALA H H 105 8.347 8.347 7.724 0.623 19340 497 1 1 . 1 1 106 106 GLN N N 106 113.657 113.657 118.611 -4.954 19340 498 1 1 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.116 -0.085 19340 499 1 1 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.390 -0.042 19340 500 1 1 . 1 1 106 106 GLN CB C 106 35.247 35.247 28.994 6.253 19340 501 1 1 . 1 1 106 106 GLN H H 106 7.838 7.838 7.886 -0.048 19340 502 1 1 . 1 1 107 107 ALA N N 107 117.818 117.818 121.066 -3.248 19340 503 1 1 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.310 -0.056 19340 504 1 1 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.036 0.118 19340 505 1 1 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.814 3.345 19340 506 1 1 . 1 1 107 107 ALA H H 107 8.145 8.145 7.838 0.307 19340 507 1 1 . 1 1 108 108 LEU N N 108 113.428 113.428 118.519 -5.091 19340 508 1 1 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.215 0.207 19340 509 1 1 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.969 -1.564 19340 510 1 1 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.372 0.283 19340 511 1 1 . 1 1 108 108 LEU H H 108 8.341 8.341 7.979 0.362 19340 512 1 2 . 1 1 2 2 SER N N 2 117.112 117.112 116.232 0.880 19340 513 1 2 . 1 1 2 2 SER HA H 2 4.500 4.500 4.058 0.442 19340 514 1 2 . 1 1 2 2 SER CA C 2 58.547 58.547 57.928 0.619 19340 515 1 2 . 1 1 2 2 SER CB C 2 63.820 63.820 64.226 -0.406 19340 516 1 2 . 1 1 2 2 SER H H 2 8.748 8.748 8.027 0.721 19340 517 1 2 . 1 1 3 3 PHE N N 3 123.783 123.783 122.114 1.669 19340 518 1 2 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.509 -0.288 19340 519 1 2 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.458 2.633 19340 520 1 2 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.560 0.307 19340 521 1 2 . 1 1 3 3 PHE H H 3 8.398 8.398 8.528 -0.130 19340 522 1 2 . 1 1 4 4 GLY N N 4 106.435 106.435 108.201 -1.766 19340 523 1 2 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.658 0.561 19340 524 1 2 . 1 1 4 4 GLY H H 4 8.699 8.699 8.088 0.611 19340 525 1 2 . 1 1 5 5 LEU N N 5 121.041 121.041 119.635 1.406 19340 526 1 2 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.216 -0.085 19340 527 1 2 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.026 0.580 19340 528 1 2 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.498 0.293 19340 529 1 2 . 1 1 5 5 LEU H H 5 7.590 7.590 7.422 0.168 19340 530 1 2 . 1 1 6 6 VAL N N 6 118.980 118.980 114.582 4.398 19340 531 1 2 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.778 -0.077 19340 532 1 2 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.441 0.327 19340 533 1 2 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.731 0.592 19340 534 1 2 . 1 1 6 6 VAL H H 6 7.630 7.630 7.548 0.082 19340 535 1 2 . 1 1 7 7 LEU N N 7 120.127 120.127 117.311 2.816 19340 536 1 2 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.184 0.076 19340 537 1 2 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.348 0.723 19340 538 1 2 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.498 0.293 19340 539 1 2 . 1 1 7 7 LEU H H 7 8.171 8.171 7.499 0.672 19340 540 1 2 . 1 1 8 8 ASN N N 8 114.592 114.592 115.329 -0.737 19340 541 1 2 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.705 0.119 19340 542 1 2 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.212 -0.489 19340 543 1 2 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.125 0.216 19340 544 1 2 . 1 1 8 8 ASN H H 8 7.602 7.602 7.359 0.243 19340 545 1 2 . 1 1 9 9 SER N N 9 116.029 116.029 116.845 -0.816 19340 546 1 2 . 1 1 9 9 SER HA H 9 4.690 4.690 4.551 0.139 19340 547 1 2 . 1 1 9 9 SER CA C 9 56.675 56.675 57.420 -0.745 19340 548 1 2 . 1 1 9 9 SER CB C 9 64.210 64.210 63.560 0.650 19340 549 1 2 . 1 1 9 9 SER H H 9 7.186 7.186 7.844 -0.658 19340 550 1 2 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.450 -0.011 19340 551 1 2 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.555 0.152 19340 552 1 2 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.070 -0.026 19340 553 1 2 . 1 1 11 11 ASN N N 11 114.702 114.702 113.382 1.320 19340 554 1 2 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.831 0.228 19340 555 1 2 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.695 1.071 19340 556 1 2 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.010 2.277 19340 557 1 2 . 1 1 11 11 ASN H H 11 8.150 8.150 7.921 0.229 19340 558 1 2 . 1 1 12 12 GLY N N 12 122.938 122.938 109.288 13.650 19340 559 1 2 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.465 -1.345 19340 560 1 2 . 1 1 12 12 GLY H H 12 7.324 7.324 7.644 -0.320 19340 561 1 2 . 1 1 13 13 LEU N N 13 124.662 124.662 119.981 4.681 19340 562 1 2 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.579 -0.850 19340 563 1 2 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.184 2.836 19340 564 1 2 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.258 1.427 19340 565 1 2 . 1 1 13 13 LEU H H 13 9.253 9.253 8.379 0.874 19340 566 1 2 . 1 1 14 14 ARG N N 14 113.071 113.071 119.188 -6.117 19340 567 1 2 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.210 0.078 19340 568 1 2 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.156 -0.766 19340 569 1 2 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.392 -0.353 19340 570 1 2 . 1 1 14 14 ARG H H 14 8.168 8.168 8.210 -0.042 19340 571 1 2 . 1 1 15 15 SER N N 15 118.055 118.055 113.602 4.453 19340 572 1 2 . 1 1 15 15 SER HA H 15 4.690 4.690 4.663 0.027 19340 573 1 2 . 1 1 15 15 SER CA C 15 57.520 57.520 57.389 0.131 19340 574 1 2 . 1 1 15 15 SER CB C 15 65.463 65.463 64.231 1.232 19340 575 1 2 . 1 1 15 15 SER H H 15 8.264 8.264 7.711 0.553 19340 576 1 2 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.323 0.054 19340 577 1 2 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.002 0.352 19340 578 1 2 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.939 -0.173 19340 579 1 2 . 1 1 17 17 GLN N N 17 117.374 117.374 117.734 -0.360 19340 580 1 2 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.093 0.022 19340 581 1 2 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.600 0.671 19340 582 1 2 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.236 0.658 19340 583 1 2 . 1 1 17 17 GLN H H 17 8.661 8.661 8.774 -0.113 19340 584 1 2 . 1 1 18 18 ALA N N 18 122.904 122.904 122.771 0.133 19340 585 1 2 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.344 -0.475 19340 586 1 2 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.485 0.904 19340 587 1 2 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.425 0.892 19340 588 1 2 . 1 1 18 18 ALA H H 18 7.785 7.785 7.531 0.254 19340 589 1 2 . 1 1 19 19 LYS N N 19 116.947 116.947 119.191 -2.244 19340 590 1 2 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.018 -0.266 19340 591 1 2 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.299 1.431 19340 592 1 2 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.280 -0.681 19340 593 1 2 . 1 1 19 19 LYS H H 19 7.410 7.410 7.609 -0.199 19340 594 1 2 . 1 1 20 20 ALA N N 20 119.887 119.887 121.988 -2.101 19340 595 1 2 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.030 0.141 19340 596 1 2 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.066 -0.056 19340 597 1 2 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.465 -0.178 19340 598 1 2 . 1 1 20 20 ALA H H 20 7.362 7.362 7.613 -0.251 19340 599 1 2 . 1 1 21 21 ARG N N 21 118.182 118.182 118.744 -0.562 19340 600 1 2 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.039 0.009 19340 601 1 2 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.215 1.377 19340 602 1 2 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.278 1.738 19340 603 1 2 . 1 1 21 21 ARG H H 21 7.502 7.502 7.570 -0.068 19340 604 1 2 . 1 1 22 22 ILE N N 22 122.484 122.484 119.993 2.491 19340 605 1 2 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.718 -0.173 19340 606 1 2 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.233 0.777 19340 607 1 2 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.617 0.387 19340 608 1 2 . 1 1 22 22 ILE H H 22 9.258 9.258 8.022 1.236 19340 609 1 2 . 1 1 23 23 ASN N N 23 119.721 119.721 119.329 0.392 19340 610 1 2 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.346 -0.069 19340 611 1 2 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.760 0.398 19340 612 1 2 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.416 0.535 19340 613 1 2 . 1 1 23 23 ASN H H 23 8.395 8.395 8.013 0.382 19340 614 1 2 . 1 1 24 24 ASN N N 24 117.554 117.554 118.254 -0.700 19340 615 1 2 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.514 -0.019 19340 616 1 2 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.628 0.831 19340 617 1 2 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.130 -0.176 19340 618 1 2 . 1 1 24 24 ASN H H 24 8.002 8.002 7.706 0.296 19340 619 1 2 . 1 1 25 25 LEU N N 25 123.367 123.367 122.051 1.316 19340 620 1 2 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.132 0.022 19340 621 1 2 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.491 -0.574 19340 622 1 2 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.959 0.974 19340 623 1 2 . 1 1 25 25 LEU H H 25 8.235 8.235 7.557 0.678 19340 624 1 2 . 1 1 26 26 ALA N N 26 123.137 123.137 120.059 3.078 19340 625 1 2 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.089 -0.220 19340 626 1 2 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.788 0.920 19340 627 1 2 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.185 -1.235 19340 628 1 2 . 1 1 26 26 ALA H H 26 9.068 9.068 8.425 0.643 19340 629 1 2 . 1 1 27 27 SER N N 27 113.809 113.809 113.068 0.741 19340 630 1 2 . 1 1 27 27 SER HA H 27 4.182 4.182 4.504 -0.322 19340 631 1 2 . 1 1 27 27 SER CA C 27 62.075 62.075 60.029 2.046 19340 632 1 2 . 1 1 27 27 SER CB C 27 62.929 62.929 64.047 -1.118 19340 633 1 2 . 1 1 27 27 SER H H 27 8.004 8.004 7.393 0.611 19340 634 1 2 . 1 1 28 28 ALA N N 28 124.782 124.782 125.810 -1.028 19340 635 1 2 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.161 0.043 19340 636 1 2 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.154 0.106 19340 637 1 2 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.351 -0.649 19340 638 1 2 . 1 1 28 28 ALA H H 28 7.970 7.970 7.881 0.089 19340 639 1 2 . 1 1 29 29 LEU N N 29 117.907 117.907 117.699 0.208 19340 640 1 2 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.867 -0.043 19340 641 1 2 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.154 -0.159 19340 642 1 2 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.420 1.106 19340 643 1 2 . 1 1 29 29 LEU H H 29 8.960 8.960 8.751 0.209 19340 644 1 2 . 1 1 30 30 SER N N 30 112.859 112.859 111.774 1.085 19340 645 1 2 . 1 1 30 30 SER HA H 30 4.076 4.076 4.098 -0.022 19340 646 1 2 . 1 1 30 30 SER CA C 30 61.998 61.998 60.781 1.217 19340 647 1 2 . 1 1 30 30 SER CB C 30 63.012 63.012 62.878 0.134 19340 648 1 2 . 1 1 30 30 SER H H 30 7.951 7.951 7.940 0.011 19340 649 1 2 . 1 1 31 31 THR N N 31 109.820 109.820 115.808 -5.988 19340 650 1 2 . 1 1 31 31 THR HA H 31 4.472 4.472 4.252 0.221 19340 651 1 2 . 1 1 31 31 THR CA C 31 62.731 62.731 64.374 -1.643 19340 652 1 2 . 1 1 31 31 THR CB C 31 69.362 69.362 69.152 0.210 19340 653 1 2 . 1 1 31 31 THR H H 31 7.164 7.164 7.453 -0.289 19340 654 1 2 . 1 1 32 32 ALA N N 32 122.926 122.926 123.044 -0.118 19340 655 1 2 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.272 0.155 19340 656 1 2 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.556 -0.471 19340 657 1 2 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.787 0.839 19340 658 1 2 . 1 1 32 32 ALA H H 32 7.997 7.997 7.738 0.259 19340 659 1 2 . 1 1 33 33 VAL N N 33 116.339 116.339 117.962 -1.623 19340 660 1 2 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.082 0.379 19340 661 1 2 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.020 -1.419 19340 662 1 2 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.982 0.647 19340 663 1 2 . 1 1 33 33 VAL H H 33 7.550 7.550 8.021 -0.471 19340 664 1 2 . 1 1 34 34 GLY N N 34 113.114 113.114 113.346 -0.232 19340 665 1 2 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.715 -0.445 19340 666 1 2 . 1 1 34 34 GLY H H 34 7.886 7.886 8.515 -0.629 19340 667 1 2 . 1 1 35 35 ARG N N 35 120.709 120.709 120.477 0.232 19340 668 1 2 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.329 0.054 19340 669 1 2 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.940 0.960 19340 670 1 2 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.804 0.068 19340 671 1 2 . 1 1 35 35 ARG H H 35 8.773 8.773 8.530 0.243 19340 672 1 2 . 1 1 36 36 ASN N N 36 114.578 114.578 116.695 -2.117 19340 673 1 2 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.733 0.091 19340 674 1 2 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.306 0.788 19340 675 1 2 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.296 0.321 19340 676 1 2 . 1 1 36 36 ASN H H 36 8.628 8.628 7.982 0.646 19340 677 1 2 . 1 1 37 37 GLY N N 37 108.462 108.462 110.081 -1.619 19340 678 1 2 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.801 -1.084 19340 679 1 2 . 1 1 37 37 GLY H H 37 7.880 7.880 7.956 -0.076 19340 680 1 2 . 1 1 38 38 VAL N N 38 121.761 121.761 120.437 1.324 19340 681 1 2 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.214 0.163 19340 682 1 2 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.470 -0.404 19340 683 1 2 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.931 -0.160 19340 684 1 2 . 1 1 38 38 VAL H H 38 8.565 8.565 7.755 0.809 19340 685 1 2 . 1 1 39 39 ASP N N 39 127.585 127.585 128.336 -0.751 19340 686 1 2 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.876 -0.225 19340 687 1 2 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.918 0.927 19340 688 1 2 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.451 0.978 19340 689 1 2 . 1 1 39 39 ASP H H 39 9.007 9.007 8.508 0.499 19340 690 1 2 . 1 1 40 40 VAL N N 40 129.021 129.021 126.459 2.562 19340 691 1 2 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.777 -0.282 19340 692 1 2 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.358 2.041 19340 693 1 2 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.546 0.805 19340 694 1 2 . 1 1 40 40 VAL H H 40 8.632 8.632 8.567 0.065 19340 695 1 2 . 1 1 41 41 ASN N N 41 122.301 122.301 118.584 3.717 19340 696 1 2 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.348 0.102 19340 697 1 2 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.726 0.285 19340 698 1 2 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.376 -0.539 19340 699 1 2 . 1 1 41 41 ASN H H 41 8.673 8.673 8.008 0.665 19340 700 1 2 . 1 1 42 42 ALA N N 42 124.313 124.313 122.560 1.753 19340 701 1 2 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.261 -0.063 19340 702 1 2 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.589 0.282 19340 703 1 2 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.441 0.236 19340 704 1 2 . 1 1 42 42 ALA H H 42 8.420 8.420 7.480 0.940 19340 705 1 2 . 1 1 43 43 PHE N N 43 119.198 119.198 119.740 -0.542 19340 706 1 2 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.208 0.275 19340 707 1 2 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.087 -0.920 19340 708 1 2 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.536 0.638 19340 709 1 2 . 1 1 43 43 PHE H H 43 8.611 8.611 8.813 -0.202 19340 710 1 2 . 1 1 44 44 THR N N 44 116.700 116.700 114.228 2.472 19340 711 1 2 . 1 1 44 44 THR HA H 44 4.349 4.349 3.736 0.613 19340 712 1 2 . 1 1 44 44 THR CA C 44 68.443 68.443 65.715 2.728 19340 713 1 2 . 1 1 44 44 THR CB C 44 68.248 68.248 68.346 -0.098 19340 714 1 2 . 1 1 44 44 THR H H 44 8.881 8.881 8.730 0.151 19340 715 1 2 . 1 1 45 45 SER N N 45 116.018 116.018 116.811 -0.793 19340 716 1 2 . 1 1 45 45 SER HA H 45 4.117 4.117 4.183 -0.066 19340 717 1 2 . 1 1 45 45 SER CA C 45 62.507 62.507 62.283 0.224 19340 718 1 2 . 1 1 45 45 SER CB C 45 62.706 62.706 62.998 -0.292 19340 719 1 2 . 1 1 45 45 SER H H 45 8.020 8.020 7.720 0.300 19340 720 1 2 . 1 1 46 46 GLY N N 46 108.460 108.460 108.886 -0.426 19340 721 1 2 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.731 0.375 19340 722 1 2 . 1 1 46 46 GLY H H 46 7.871 7.871 7.689 0.182 19340 723 1 2 . 1 1 47 47 LEU N N 47 123.148 123.148 122.463 0.685 19340 724 1 2 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.967 -0.137 19340 725 1 2 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.382 0.958 19340 726 1 2 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.391 1.041 19340 727 1 2 . 1 1 47 47 LEU H H 47 8.221 8.221 7.355 0.866 19340 728 1 2 . 1 1 48 48 ARG N N 48 118.694 118.694 118.977 -0.283 19340 729 1 2 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.958 -0.111 19340 730 1 2 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.805 0.433 19340 731 1 2 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.751 0.594 19340 732 1 2 . 1 1 48 48 ARG H H 48 8.646 8.646 8.337 0.309 19340 733 1 2 . 1 1 49 49 ALA N N 49 122.114 122.114 120.715 1.399 19340 734 1 2 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.244 -0.085 19340 735 1 2 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.938 0.270 19340 736 1 2 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.123 -0.031 19340 737 1 2 . 1 1 49 49 ALA H H 49 8.078 8.078 7.550 0.528 19340 738 1 2 . 1 1 50 50 THR N N 50 115.708 115.708 117.022 -1.314 19340 739 1 2 . 1 1 50 50 THR HA H 50 3.696 3.696 4.039 -0.343 19340 740 1 2 . 1 1 50 50 THR CA C 50 67.692 67.692 66.930 0.763 19340 741 1 2 . 1 1 50 50 THR CB C 50 68.599 68.599 68.993 -0.394 19340 742 1 2 . 1 1 50 50 THR H H 50 7.577 7.577 7.556 0.021 19340 743 1 2 . 1 1 51 51 LEU N N 51 121.108 121.108 122.975 -1.867 19340 744 1 2 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.124 -0.333 19340 745 1 2 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.621 0.632 19340 746 1 2 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.836 1.150 19340 747 1 2 . 1 1 51 51 LEU H H 51 8.014 8.014 8.757 -0.743 19340 748 1 2 . 1 1 52 52 SER N N 52 115.122 115.122 114.218 0.904 19340 749 1 2 . 1 1 52 52 SER HA H 52 4.154 4.154 4.064 0.090 19340 750 1 2 . 1 1 52 52 SER CA C 52 61.765 61.765 61.529 0.236 19340 751 1 2 . 1 1 52 52 SER CB C 52 62.901 62.901 62.781 0.120 19340 752 1 2 . 1 1 52 52 SER H H 52 8.442 8.442 8.021 0.421 19340 753 1 2 . 1 1 53 53 ASN N N 53 119.438 119.438 119.905 -0.467 19340 754 1 2 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.501 0.139 19340 755 1 2 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.095 -0.102 19340 756 1 2 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.796 0.712 19340 757 1 2 . 1 1 53 53 ASN H H 53 7.705 7.705 7.755 -0.050 19340 758 1 2 . 1 1 54 54 LEU N N 54 120.042 120.042 121.178 -1.136 19340 759 1 2 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.111 0.082 19340 760 1 2 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.487 -0.372 19340 761 1 2 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.866 1.123 19340 762 1 2 . 1 1 54 54 LEU H H 54 7.811 7.811 8.632 -0.821 19340 763 1 2 . 1 1 55 55 GLY N N 55 109.450 109.450 105.493 3.957 19340 764 1 2 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.472 1.204 19340 765 1 2 . 1 1 55 55 GLY H H 55 8.074 8.074 8.383 -0.309 19340 766 1 2 . 1 1 56 56 ASP N N 56 121.016 121.016 118.244 2.772 19340 767 1 2 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.832 -0.075 19340 768 1 2 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.279 1.532 19340 769 1 2 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.111 -0.573 19340 770 1 2 . 1 1 56 56 ASP H H 56 8.144 8.144 7.546 0.598 19340 771 1 2 . 1 1 57 57 SER N N 57 113.978 113.978 114.377 -0.399 19340 772 1 2 . 1 1 57 57 SER HA H 57 4.305 4.305 4.520 -0.215 19340 773 1 2 . 1 1 57 57 SER CA C 57 60.031 60.031 59.342 0.689 19340 774 1 2 . 1 1 57 57 SER CB C 57 65.212 65.212 64.461 0.751 19340 775 1 2 . 1 1 57 57 SER H H 57 7.742 7.742 7.849 -0.107 19340 776 1 2 . 1 1 58 58 GLY N N 58 110.315 110.315 107.884 2.431 19340 777 1 2 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.963 0.727 19340 778 1 2 . 1 1 58 58 GLY H H 58 8.306 8.306 7.804 0.502 19340 779 1 2 . 1 1 59 59 MET N N 59 120.024 120.024 116.562 3.462 19340 780 1 2 . 1 1 59 59 MET HA H 59 4.416 4.416 4.841 -0.425 19340 781 1 2 . 1 1 59 59 MET CA C 59 56.597 56.597 54.724 1.873 19340 782 1 2 . 1 1 59 59 MET CB C 59 34.328 34.328 34.275 0.053 19340 783 1 2 . 1 1 59 59 MET H H 59 7.686 7.686 7.324 0.362 19340 784 1 2 . 1 1 60 60 SER N N 60 122.795 122.795 114.224 8.571 19340 785 1 2 . 1 1 60 60 SER HA H 60 4.601 4.601 4.783 -0.182 19340 786 1 2 . 1 1 60 60 SER CA C 60 57.598 57.598 54.801 2.797 19340 787 1 2 . 1 1 60 60 SER CB C 60 62.511 62.511 65.144 -2.633 19340 788 1 2 . 1 1 60 60 SER H H 60 9.088 9.088 8.342 0.746 19340 789 1 2 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.539 -0.324 19340 790 1 2 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.261 2.361 19340 791 1 2 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.949 0.012 19340 792 1 2 . 1 1 62 62 ASN N N 62 113.170 113.170 116.846 -3.676 19340 793 1 2 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.791 -0.414 19340 794 1 2 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.375 1.041 19340 795 1 2 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.685 -1.681 19340 796 1 2 . 1 1 62 62 ASN H H 62 8.389 8.389 8.479 -0.090 19340 797 1 2 . 1 1 63 63 GLU N N 63 120.222 120.222 120.754 -0.532 19340 798 1 2 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.149 -0.397 19340 799 1 2 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.632 1.036 19340 800 1 2 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.127 8.710 19340 801 1 2 . 1 1 63 63 GLU H H 63 7.428 7.428 7.577 -0.149 19340 802 1 2 . 1 1 64 64 ALA N N 64 120.568 120.568 122.130 -1.562 19340 803 1 2 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.063 0.013 19340 804 1 2 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.408 -0.588 19340 805 1 2 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.545 -0.203 19340 806 1 2 . 1 1 64 64 ALA H H 64 8.640 8.640 7.797 0.843 19340 807 1 2 . 1 1 65 65 LYS N N 65 115.104 115.104 116.726 -1.622 19340 808 1 2 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.004 -0.381 19340 809 1 2 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.174 1.702 19340 810 1 2 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.175 0.677 19340 811 1 2 . 1 1 65 65 LYS H H 65 7.472 7.472 8.278 -0.806 19340 812 1 2 . 1 1 66 66 VAL N N 66 116.911 116.911 119.118 -2.207 19340 813 1 2 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.998 -0.447 19340 814 1 2 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.341 2.962 19340 815 1 2 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.106 -0.563 19340 816 1 2 . 1 1 66 66 VAL H H 66 7.045 7.045 7.255 -0.210 19340 817 1 2 . 1 1 67 67 GLU N N 67 120.755 120.755 119.985 0.770 19340 818 1 2 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.098 -0.056 19340 819 1 2 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.955 -1.546 19340 820 1 2 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.713 3.222 19340 821 1 2 . 1 1 67 67 GLU H H 67 8.439 8.439 8.588 -0.149 19340 822 1 2 . 1 1 68 68 VAL N N 68 119.280 119.280 117.268 2.012 19340 823 1 2 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.751 -0.396 19340 824 1 2 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.177 1.256 19340 825 1 2 . 1 1 68 68 VAL CB C 68 30.652 30.652 30.514 0.139 19340 826 1 2 . 1 1 68 68 VAL H H 68 8.473 8.473 7.983 0.490 19340 827 1 2 . 1 1 69 69 LEU N N 69 117.578 117.578 119.359 -1.781 19340 828 1 2 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.999 -0.041 19340 829 1 2 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.777 0.580 19340 830 1 2 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.298 0.800 19340 831 1 2 . 1 1 69 69 LEU H H 69 7.292 7.292 7.278 0.014 19340 832 1 2 . 1 1 70 70 LEU N N 70 118.482 118.482 118.878 -0.396 19340 833 1 2 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.944 0.037 19340 834 1 2 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.870 0.504 19340 835 1 2 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.888 0.293 19340 836 1 2 . 1 1 70 70 LEU H H 70 8.237 8.237 7.513 0.724 19340 837 1 2 . 1 1 71 71 GLU N N 71 123.582 123.582 119.772 3.810 19340 838 1 2 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.958 -0.234 19340 839 1 2 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.718 1.365 19340 840 1 2 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.663 7.646 19340 841 1 2 . 1 1 71 71 GLU H H 71 8.915 8.915 7.879 1.036 19340 842 1 2 . 1 1 72 72 ALA N N 72 123.321 123.321 121.629 1.692 19340 843 1 2 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.180 -0.116 19340 844 1 2 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.097 0.603 19340 845 1 2 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.780 -0.939 19340 846 1 2 . 1 1 72 72 ALA H H 72 8.994 8.994 8.286 0.708 19340 847 1 2 . 1 1 73 73 LEU N N 73 118.574 118.574 119.172 -0.598 19340 848 1 2 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.054 -0.096 19340 849 1 2 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.606 0.630 19340 850 1 2 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.980 0.367 19340 851 1 2 . 1 1 73 73 LEU H H 73 8.544 8.544 7.570 0.974 19340 852 1 2 . 1 1 74 74 THR N N 74 115.785 115.785 115.641 0.144 19340 853 1 2 . 1 1 74 74 THR HA H 74 3.578 3.578 3.918 -0.340 19340 854 1 2 . 1 1 74 74 THR CA C 74 68.727 68.727 66.752 1.975 19340 855 1 2 . 1 1 74 74 THR CB C 74 67.691 67.691 67.980 -0.289 19340 856 1 2 . 1 1 74 74 THR H H 74 8.137 8.137 8.246 -0.109 19340 857 1 2 . 1 1 75 75 ALA N N 75 123.543 123.543 123.268 0.275 19340 858 1 2 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.354 -0.658 19340 859 1 2 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.933 0.629 19340 860 1 2 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.365 1.008 19340 861 1 2 . 1 1 75 75 ALA H H 75 8.585 8.585 7.591 0.994 19340 862 1 2 . 1 1 76 76 ALA N N 76 118.729 118.729 120.798 -2.069 19340 863 1 2 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.008 -0.234 19340 864 1 2 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.391 1.050 19340 865 1 2 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.555 -0.407 19340 866 1 2 . 1 1 76 76 ALA H H 76 8.199 8.199 7.246 0.953 19340 867 1 2 . 1 1 77 77 LEU N N 77 117.321 117.321 119.434 -2.113 19340 868 1 2 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.806 0.069 19340 869 1 2 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.904 0.298 19340 870 1 2 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.696 -1.074 19340 871 1 2 . 1 1 77 77 LEU H H 77 8.265 8.265 8.776 -0.511 19340 872 1 2 . 1 1 78 78 GLN N N 78 121.687 121.687 117.905 3.782 19340 873 1 2 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.001 -0.188 19340 874 1 2 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.437 0.196 19340 875 1 2 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.285 4.154 19340 876 1 2 . 1 1 78 78 GLN H H 78 8.776 8.776 8.040 0.736 19340 877 1 2 . 1 1 79 79 LEU N N 79 120.042 120.042 120.656 -0.614 19340 878 1 2 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.138 -0.130 19340 879 1 2 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.481 0.255 19340 880 1 2 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.207 0.336 19340 881 1 2 . 1 1 79 79 LEU H H 79 7.990 7.990 7.316 0.674 19340 882 1 2 . 1 1 80 80 LEU N N 80 122.157 122.157 120.325 1.832 19340 883 1 2 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.004 -0.180 19340 884 1 2 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.057 1.032 19340 885 1 2 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.939 2.465 19340 886 1 2 . 1 1 80 80 LEU H H 80 8.454 8.454 8.440 0.014 19340 887 1 2 . 1 1 81 81 SER N N 81 114.179 114.179 114.911 -0.732 19340 888 1 2 . 1 1 81 81 SER HA H 81 3.897 3.897 4.245 -0.348 19340 889 1 2 . 1 1 81 81 SER CA C 81 61.756 61.756 60.839 0.917 19340 890 1 2 . 1 1 81 81 SER CB C 81 63.486 63.486 62.977 0.509 19340 891 1 2 . 1 1 81 81 SER H H 81 8.006 8.006 7.879 0.127 19340 892 1 2 . 1 1 82 82 SER N N 82 113.392 113.392 114.512 -1.120 19340 893 1 2 . 1 1 82 82 SER HA H 82 4.718 4.718 4.659 0.059 19340 894 1 2 . 1 1 82 82 SER CA C 82 57.718 57.718 57.634 0.084 19340 895 1 2 . 1 1 82 82 SER CB C 82 64.377 64.377 64.271 0.106 19340 896 1 2 . 1 1 82 82 SER H H 82 7.160 7.160 8.167 -1.007 19340 897 1 2 . 1 1 83 83 SER N N 83 117.607 117.607 119.540 -1.933 19340 898 1 2 . 1 1 83 83 SER HA H 83 4.885 4.885 4.660 0.225 19340 899 1 2 . 1 1 83 83 SER CA C 83 59.263 59.263 58.459 0.804 19340 900 1 2 . 1 1 83 83 SER CB C 83 65.352 65.352 64.417 0.935 19340 901 1 2 . 1 1 83 83 SER H H 83 7.369 7.369 7.828 -0.459 19340 902 1 2 . 1 1 84 84 THR N N 84 117.656 117.656 115.743 1.913 19340 903 1 2 . 1 1 84 84 THR HA H 84 4.545 4.545 4.450 0.095 19340 904 1 2 . 1 1 84 84 THR CA C 84 62.006 62.006 62.435 -0.429 19340 905 1 2 . 1 1 84 84 THR CB C 84 69.724 69.724 69.277 0.447 19340 906 1 2 . 1 1 84 84 THR H H 84 8.488 8.488 8.079 0.409 19340 907 1 2 . 1 1 85 85 LEU N N 85 130.429 130.429 119.314 11.115 19340 908 1 2 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.056 0.232 19340 909 1 2 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.203 1.092 19340 910 1 2 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.336 2.054 19340 911 1 2 . 1 1 85 85 LEU H H 85 8.878 8.878 7.761 1.117 19340 912 1 2 . 1 1 86 86 GLY N N 86 112.150 112.150 107.681 4.469 19340 913 1 2 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.493 -1.691 19340 914 1 2 . 1 1 86 86 GLY H H 86 7.901 7.901 8.890 -0.989 19340 915 1 2 . 1 1 87 87 ALA N N 87 122.559 122.559 122.989 -0.430 19340 916 1 2 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.395 -0.111 19340 917 1 2 . 1 1 87 87 ALA CA C 87 51.955 51.955 51.940 0.015 19340 918 1 2 . 1 1 87 87 ALA CB C 87 19.345 19.345 20.512 -1.167 19340 919 1 2 . 1 1 87 87 ALA H H 87 8.113 8.113 7.651 0.462 19340 920 1 2 . 1 1 88 88 VAL N N 88 122.375 122.375 122.712 -0.337 19340 921 1 2 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.373 -0.566 19340 922 1 2 . 1 1 88 88 VAL CA C 88 62.964 62.964 61.662 1.302 19340 923 1 2 . 1 1 88 88 VAL CB C 88 32.629 32.629 33.082 -0.453 19340 924 1 2 . 1 1 88 88 VAL H H 88 8.447 8.447 8.401 0.046 19340 925 1 2 . 1 1 89 89 ASP N N 89 127.408 127.408 130.847 -3.439 19340 926 1 2 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.680 0.178 19340 927 1 2 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.563 -1.961 19340 928 1 2 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.044 0.773 19340 929 1 2 . 1 1 89 89 ASP H H 89 8.570 8.570 8.994 -0.424 19340 930 1 2 . 1 1 90 90 THR N N 90 116.481 116.481 113.733 2.748 19340 931 1 2 . 1 1 90 90 THR HA H 90 3.953 3.953 4.183 -0.230 19340 932 1 2 . 1 1 90 90 THR CA C 90 63.879 63.879 64.456 -0.577 19340 933 1 2 . 1 1 90 90 THR CB C 90 68.833 68.833 68.986 -0.153 19340 934 1 2 . 1 1 90 90 THR H H 90 8.539 8.539 8.386 0.153 19340 935 1 2 . 1 1 91 91 THR N N 91 114.681 114.681 115.568 -0.887 19340 936 1 2 . 1 1 91 91 THR HA H 91 4.182 4.182 4.333 -0.151 19340 937 1 2 . 1 1 91 91 THR CA C 91 64.750 64.750 64.351 0.399 19340 938 1 2 . 1 1 91 91 THR CB C 91 69.055 69.055 68.701 0.354 19340 939 1 2 . 1 1 91 91 THR H H 91 8.335 8.335 8.281 0.054 19340 940 1 2 . 1 1 92 92 SER N N 92 114.236 114.236 117.030 -2.794 19340 941 1 2 . 1 1 92 92 SER HA H 92 4.668 4.668 4.632 0.036 19340 942 1 2 . 1 1 92 92 SER CA C 92 58.460 58.460 59.129 -0.669 19340 943 1 2 . 1 1 92 92 SER CB C 92 64.433 64.433 63.513 0.920 19340 944 1 2 . 1 1 92 92 SER H H 92 7.642 7.642 7.655 -0.013 19340 945 1 2 . 1 1 93 93 ILE N N 93 122.128 122.128 122.707 -0.579 19340 946 1 2 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.803 0.010 19340 947 1 2 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.355 -0.225 19340 948 1 2 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.261 0.938 19340 949 1 2 . 1 1 93 93 ILE H H 93 7.276 7.276 7.124 0.152 19340 950 1 2 . 1 1 94 94 GLY N N 94 108.426 108.426 107.077 1.349 19340 951 1 2 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.186 -0.187 19340 952 1 2 . 1 1 94 94 GLY H H 94 8.756 8.756 8.681 0.075 19340 953 1 2 . 1 1 95 95 LEU N N 95 123.674 123.674 122.609 1.065 19340 954 1 2 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.149 0.133 19340 955 1 2 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.758 0.271 19340 956 1 2 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.591 -0.329 19340 957 1 2 . 1 1 95 95 LEU H H 95 7.568 7.568 7.708 -0.140 19340 958 1 2 . 1 1 96 96 THR N N 96 119.717 119.717 116.459 3.258 19340 959 1 2 . 1 1 96 96 THR HA H 96 3.837 3.837 3.922 -0.085 19340 960 1 2 . 1 1 96 96 THR CA C 96 66.683 66.683 67.469 -0.786 19340 961 1 2 . 1 1 96 96 THR CB C 96 67.969 67.969 68.579 -0.610 19340 962 1 2 . 1 1 96 96 THR H H 96 8.430 8.430 8.172 0.258 19340 963 1 2 . 1 1 97 97 SER N N 97 117.285 117.285 116.897 0.388 19340 964 1 2 . 1 1 97 97 SER HA H 97 4.094 4.094 4.096 -0.002 19340 965 1 2 . 1 1 97 97 SER CA C 97 62.507 62.507 61.683 0.824 19340 966 1 2 . 1 1 97 97 SER CB C 97 62.845 62.845 62.931 -0.086 19340 967 1 2 . 1 1 97 97 SER H H 97 9.000 9.000 8.785 0.215 19340 968 1 2 . 1 1 98 98 ASN N N 98 121.846 121.846 119.775 2.071 19340 969 1 2 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.624 -0.236 19340 970 1 2 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.454 1.428 19340 971 1 2 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.652 0.182 19340 972 1 2 . 1 1 98 98 ASN H H 98 7.939 7.939 7.757 0.182 19340 973 1 2 . 1 1 99 99 SER N N 99 117.585 117.585 117.212 0.373 19340 974 1 2 . 1 1 99 99 SER HA H 99 4.204 4.204 4.263 -0.059 19340 975 1 2 . 1 1 99 99 SER CA C 99 62.886 62.886 62.752 0.134 19340 976 1 2 . 1 1 99 99 SER CB C 99 62.984 62.984 63.436 -0.452 19340 977 1 2 . 1 1 99 99 SER H H 99 8.370 8.370 8.072 0.298 19340 978 1 2 . 1 1 100 100 VAL N N 100 121.524 121.524 118.974 2.550 19340 979 1 2 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.848 -0.297 19340 980 1 2 . 1 1 100 100 VAL CA C 100 67.951 67.951 67.010 0.940 19340 981 1 2 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.507 0.147 19340 982 1 2 . 1 1 100 100 VAL H H 100 8.565 8.565 8.422 0.143 19340 983 1 2 . 1 1 101 101 SER N N 101 113.005 113.005 115.948 -2.943 19340 984 1 2 . 1 1 101 101 SER HA H 101 3.875 3.875 4.118 -0.243 19340 985 1 2 . 1 1 101 101 SER CA C 101 62.326 62.326 61.512 0.814 19340 986 1 2 . 1 1 101 101 SER CB C 101 63.263 63.263 62.766 0.498 19340 987 1 2 . 1 1 101 101 SER H H 101 8.272 8.272 7.821 0.451 19340 988 1 2 . 1 1 102 102 LYS N N 102 119.357 119.357 121.452 -2.095 19340 989 1 2 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.102 -0.082 19340 990 1 2 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.000 0.599 19340 991 1 2 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.484 0.659 19340 992 1 2 . 1 1 102 102 LYS H H 102 7.953 7.953 7.711 0.242 19340 993 1 2 . 1 1 103 103 ALA N N 103 120.882 120.882 122.793 -1.911 19340 994 1 2 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.989 0.254 19340 995 1 2 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.888 -0.301 19340 996 1 2 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.283 2.343 19340 997 1 2 . 1 1 103 103 ALA H H 103 8.049 8.049 8.305 -0.256 19340 998 1 2 . 1 1 104 104 VAL N N 104 116.191 116.191 118.687 -2.496 19340 999 1 2 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.374 -0.125 19340 1000 1 2 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.741 0.373 19340 1001 1 2 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.801 -0.787 19340 1002 1 2 . 1 1 104 104 VAL H H 104 8.572 8.572 8.200 0.372 19340 1003 1 2 . 1 1 105 105 ALA N N 105 121.884 121.884 119.871 2.013 19340 1004 1 2 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.198 -0.307 19340 1005 1 2 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.063 1.240 19340 1006 1 2 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.422 0.061 19340 1007 1 2 . 1 1 105 105 ALA H H 105 8.347 8.347 7.656 0.691 19340 1008 1 2 . 1 1 106 106 GLN N N 106 113.657 113.657 118.087 -4.430 19340 1009 1 2 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.139 -0.108 19340 1010 1 2 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.203 0.145 19340 1011 1 2 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.201 6.046 19340 1012 1 2 . 1 1 106 106 GLN H H 106 7.838 7.838 7.736 0.102 19340 1013 1 2 . 1 1 107 107 ALA N N 107 117.818 117.818 121.071 -3.253 19340 1014 1 2 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.303 -0.049 19340 1015 1 2 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.987 0.168 19340 1016 1 2 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.829 3.329 19340 1017 1 2 . 1 1 107 107 ALA H H 107 8.145 8.145 7.801 0.344 19340 1018 1 2 . 1 1 108 108 LEU N N 108 113.428 113.428 118.521 -5.093 19340 1019 1 2 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.218 0.204 19340 1020 1 2 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.942 -1.537 19340 1021 1 2 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.400 0.255 19340 1022 1 2 . 1 1 108 108 LEU H H 108 8.341 8.341 7.975 0.366 19340 1023 1 3 . 1 1 2 2 SER N N 2 117.112 117.112 117.197 -0.085 19340 1024 1 3 . 1 1 2 2 SER HA H 2 4.500 4.500 4.134 0.366 19340 1025 1 3 . 1 1 2 2 SER CA C 2 58.547 58.547 58.069 0.478 19340 1026 1 3 . 1 1 2 2 SER CB C 2 63.820 63.820 64.170 -0.350 19340 1027 1 3 . 1 1 2 2 SER H H 2 8.748 8.748 8.308 0.440 19340 1028 1 3 . 1 1 3 3 PHE N N 3 123.783 123.783 122.840 0.943 19340 1029 1 3 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.523 -0.302 19340 1030 1 3 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.473 2.618 19340 1031 1 3 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.777 0.090 19340 1032 1 3 . 1 1 3 3 PHE H H 3 8.398 8.398 8.645 -0.247 19340 1033 1 3 . 1 1 4 4 GLY N N 4 106.435 106.435 108.105 -1.670 19340 1034 1 3 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.279 0.940 19340 1035 1 3 . 1 1 4 4 GLY H H 4 8.699 8.699 8.273 0.426 19340 1036 1 3 . 1 1 5 5 LEU N N 5 121.041 121.041 120.952 0.089 19340 1037 1 3 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.261 -0.130 19340 1038 1 3 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.355 0.251 19340 1039 1 3 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.397 0.394 19340 1040 1 3 . 1 1 5 5 LEU H H 5 7.590 7.590 7.743 -0.153 19340 1041 1 3 . 1 1 6 6 VAL N N 6 118.980 118.980 114.928 4.052 19340 1042 1 3 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.785 -0.084 19340 1043 1 3 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.465 0.303 19340 1044 1 3 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.729 0.594 19340 1045 1 3 . 1 1 6 6 VAL H H 6 7.630 7.630 7.558 0.072 19340 1046 1 3 . 1 1 7 7 LEU N N 7 120.127 120.127 116.444 3.683 19340 1047 1 3 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.170 0.090 19340 1048 1 3 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.755 0.316 19340 1049 1 3 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.452 0.339 19340 1050 1 3 . 1 1 7 7 LEU H H 7 8.171 8.171 7.514 0.657 19340 1051 1 3 . 1 1 8 8 ASN N N 8 114.592 114.592 116.126 -1.534 19340 1052 1 3 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.704 0.120 19340 1053 1 3 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.470 -0.747 19340 1054 1 3 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.431 -0.090 19340 1055 1 3 . 1 1 8 8 ASN H H 8 7.602 7.602 7.539 0.063 19340 1056 1 3 . 1 1 9 9 SER N N 9 116.029 116.029 116.801 -0.772 19340 1057 1 3 . 1 1 9 9 SER HA H 9 4.690 4.690 4.535 0.155 19340 1058 1 3 . 1 1 9 9 SER CA C 9 56.675 56.675 57.635 -0.960 19340 1059 1 3 . 1 1 9 9 SER CB C 9 64.210 64.210 63.705 0.505 19340 1060 1 3 . 1 1 9 9 SER H H 9 7.186 7.186 7.803 -0.617 19340 1061 1 3 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.458 -0.019 19340 1062 1 3 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.504 0.203 19340 1063 1 3 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.075 -0.031 19340 1064 1 3 . 1 1 11 11 ASN N N 11 114.702 114.702 113.616 1.086 19340 1065 1 3 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.828 0.231 19340 1066 1 3 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.843 0.923 19340 1067 1 3 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.983 2.304 19340 1068 1 3 . 1 1 11 11 ASN H H 11 8.150 8.150 7.886 0.264 19340 1069 1 3 . 1 1 12 12 GLY N N 12 122.938 122.938 109.421 13.517 19340 1070 1 3 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.670 -1.549 19340 1071 1 3 . 1 1 12 12 GLY H H 12 7.324 7.324 7.639 -0.315 19340 1072 1 3 . 1 1 13 13 LEU N N 13 124.662 124.662 120.137 4.525 19340 1073 1 3 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.500 -0.771 19340 1074 1 3 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.166 2.854 19340 1075 1 3 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.324 1.361 19340 1076 1 3 . 1 1 13 13 LEU H H 13 9.253 9.253 8.268 0.985 19340 1077 1 3 . 1 1 14 14 ARG N N 14 113.071 113.071 118.957 -5.886 19340 1078 1 3 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.172 0.116 19340 1079 1 3 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.084 -0.694 19340 1080 1 3 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.341 -0.302 19340 1081 1 3 . 1 1 14 14 ARG H H 14 8.168 8.168 8.118 0.050 19340 1082 1 3 . 1 1 15 15 SER N N 15 118.055 118.055 113.494 4.561 19340 1083 1 3 . 1 1 15 15 SER HA H 15 4.690 4.690 4.666 0.024 19340 1084 1 3 . 1 1 15 15 SER CA C 15 57.520 57.520 57.364 0.156 19340 1085 1 3 . 1 1 15 15 SER CB C 15 65.463 65.463 64.247 1.216 19340 1086 1 3 . 1 1 15 15 SER H H 15 8.264 8.264 7.720 0.544 19340 1087 1 3 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.321 0.056 19340 1088 1 3 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.004 0.350 19340 1089 1 3 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.938 -0.172 19340 1090 1 3 . 1 1 17 17 GLN N N 17 117.374 117.374 117.575 -0.201 19340 1091 1 3 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.085 0.030 19340 1092 1 3 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.746 0.525 19340 1093 1 3 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.254 0.640 19340 1094 1 3 . 1 1 17 17 GLN H H 17 8.661 8.661 8.795 -0.134 19340 1095 1 3 . 1 1 18 18 ALA N N 18 122.904 122.904 122.923 -0.019 19340 1096 1 3 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.082 -0.213 19340 1097 1 3 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.831 0.558 19340 1098 1 3 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.355 0.962 19340 1099 1 3 . 1 1 18 18 ALA H H 18 7.785 7.785 7.544 0.241 19340 1100 1 3 . 1 1 19 19 LYS N N 19 116.947 116.947 119.269 -2.322 19340 1101 1 3 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.032 -0.280 19340 1102 1 3 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.280 1.450 19340 1103 1 3 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.302 -0.703 19340 1104 1 3 . 1 1 19 19 LYS H H 19 7.410 7.410 7.512 -0.102 19340 1105 1 3 . 1 1 20 20 ALA N N 20 119.887 119.887 122.010 -2.123 19340 1106 1 3 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.035 0.136 19340 1107 1 3 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.040 -0.031 19340 1108 1 3 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.471 -0.183 19340 1109 1 3 . 1 1 20 20 ALA H H 20 7.362 7.362 7.650 -0.288 19340 1110 1 3 . 1 1 21 21 ARG N N 21 118.182 118.182 118.843 -0.661 19340 1111 1 3 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.032 0.016 19340 1112 1 3 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.287 1.305 19340 1113 1 3 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.308 1.708 19340 1114 1 3 . 1 1 21 21 ARG H H 21 7.502 7.502 7.577 -0.075 19340 1115 1 3 . 1 1 22 22 ILE N N 22 122.484 122.484 119.868 2.616 19340 1116 1 3 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.700 -0.155 19340 1117 1 3 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.316 0.694 19340 1118 1 3 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.547 0.457 19340 1119 1 3 . 1 1 22 22 ILE H H 22 9.258 9.258 8.103 1.155 19340 1120 1 3 . 1 1 23 23 ASN N N 23 119.721 119.721 118.752 0.969 19340 1121 1 3 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.328 -0.051 19340 1122 1 3 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.781 0.377 19340 1123 1 3 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.240 0.711 19340 1124 1 3 . 1 1 23 23 ASN H H 23 8.395 8.395 7.951 0.444 19340 1125 1 3 . 1 1 24 24 ASN N N 24 117.554 117.554 118.435 -0.881 19340 1126 1 3 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.496 -0.001 19340 1127 1 3 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.682 0.777 19340 1128 1 3 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.063 -0.109 19340 1129 1 3 . 1 1 24 24 ASN H H 24 8.002 8.002 7.700 0.302 19340 1130 1 3 . 1 1 25 25 LEU N N 25 123.367 123.367 121.904 1.463 19340 1131 1 3 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.150 0.004 19340 1132 1 3 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.214 -0.297 19340 1133 1 3 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.792 1.141 19340 1134 1 3 . 1 1 25 25 LEU H H 25 8.235 8.235 7.611 0.624 19340 1135 1 3 . 1 1 26 26 ALA N N 26 123.137 123.137 120.076 3.061 19340 1136 1 3 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.245 -0.376 19340 1137 1 3 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.719 0.989 19340 1138 1 3 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.189 -1.239 19340 1139 1 3 . 1 1 26 26 ALA H H 26 9.068 9.068 8.388 0.680 19340 1140 1 3 . 1 1 27 27 SER N N 27 113.809 113.809 113.083 0.726 19340 1141 1 3 . 1 1 27 27 SER HA H 27 4.182 4.182 4.447 -0.265 19340 1142 1 3 . 1 1 27 27 SER CA C 27 62.075 62.075 60.073 2.002 19340 1143 1 3 . 1 1 27 27 SER CB C 27 62.929 62.929 64.093 -1.164 19340 1144 1 3 . 1 1 27 27 SER H H 27 8.004 8.004 7.430 0.574 19340 1145 1 3 . 1 1 28 28 ALA N N 28 124.782 124.782 125.650 -0.868 19340 1146 1 3 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.062 0.142 19340 1147 1 3 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.176 0.084 19340 1148 1 3 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.437 -0.735 19340 1149 1 3 . 1 1 28 28 ALA H H 28 7.970 7.970 7.849 0.121 19340 1150 1 3 . 1 1 29 29 LEU N N 29 117.907 117.907 117.677 0.230 19340 1151 1 3 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.846 -0.022 19340 1152 1 3 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.079 -0.084 19340 1153 1 3 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.379 1.147 19340 1154 1 3 . 1 1 29 29 LEU H H 29 8.960 8.960 8.745 0.215 19340 1155 1 3 . 1 1 30 30 SER N N 30 112.859 112.859 112.180 0.679 19340 1156 1 3 . 1 1 30 30 SER HA H 30 4.076 4.076 4.075 0.001 19340 1157 1 3 . 1 1 30 30 SER CA C 30 61.998 61.998 60.843 1.155 19340 1158 1 3 . 1 1 30 30 SER CB C 30 63.012 63.012 62.922 0.090 19340 1159 1 3 . 1 1 30 30 SER H H 30 7.951 7.951 7.944 0.007 19340 1160 1 3 . 1 1 31 31 THR N N 31 109.820 109.820 115.957 -6.137 19340 1161 1 3 . 1 1 31 31 THR HA H 31 4.472 4.472 4.243 0.229 19340 1162 1 3 . 1 1 31 31 THR CA C 31 62.731 62.731 64.532 -1.801 19340 1163 1 3 . 1 1 31 31 THR CB C 31 69.362 69.362 69.174 0.188 19340 1164 1 3 . 1 1 31 31 THR H H 31 7.164 7.164 7.474 -0.310 19340 1165 1 3 . 1 1 32 32 ALA N N 32 122.926 122.926 122.794 0.132 19340 1166 1 3 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.331 0.096 19340 1167 1 3 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.453 -0.368 19340 1168 1 3 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.697 0.929 19340 1169 1 3 . 1 1 32 32 ALA H H 32 7.997 7.997 7.640 0.357 19340 1170 1 3 . 1 1 33 33 VAL N N 33 116.339 116.339 118.044 -1.705 19340 1171 1 3 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.095 0.366 19340 1172 1 3 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.997 -1.396 19340 1173 1 3 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.819 0.810 19340 1174 1 3 . 1 1 33 33 VAL H H 33 7.550 7.550 8.024 -0.474 19340 1175 1 3 . 1 1 34 34 GLY N N 34 113.114 113.114 113.757 -0.643 19340 1176 1 3 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.773 -0.504 19340 1177 1 3 . 1 1 34 34 GLY H H 34 7.886 7.886 8.527 -0.641 19340 1178 1 3 . 1 1 35 35 ARG N N 35 120.709 120.709 120.478 0.231 19340 1179 1 3 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.313 0.070 19340 1180 1 3 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.895 1.004 19340 1181 1 3 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.828 0.044 19340 1182 1 3 . 1 1 35 35 ARG H H 35 8.773 8.773 8.541 0.232 19340 1183 1 3 . 1 1 36 36 ASN N N 36 114.578 114.578 116.776 -2.198 19340 1184 1 3 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.738 0.086 19340 1185 1 3 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.306 0.788 19340 1186 1 3 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.264 0.353 19340 1187 1 3 . 1 1 36 36 ASN H H 36 8.628 8.628 7.990 0.638 19340 1188 1 3 . 1 1 37 37 GLY N N 37 108.462 108.462 110.071 -1.609 19340 1189 1 3 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.860 -1.143 19340 1190 1 3 . 1 1 37 37 GLY H H 37 7.880 7.880 7.991 -0.111 19340 1191 1 3 . 1 1 38 38 VAL N N 38 121.761 121.761 120.487 1.274 19340 1192 1 3 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.252 0.125 19340 1193 1 3 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.501 -0.435 19340 1194 1 3 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.248 -0.477 19340 1195 1 3 . 1 1 38 38 VAL H H 38 8.565 8.565 7.744 0.821 19340 1196 1 3 . 1 1 39 39 ASP N N 39 127.585 127.585 128.057 -0.472 19340 1197 1 3 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.886 -0.235 19340 1198 1 3 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.045 0.800 19340 1199 1 3 . 1 1 39 39 ASP CB C 39 41.429 41.429 41.007 0.422 19340 1200 1 3 . 1 1 39 39 ASP H H 39 9.007 9.007 8.553 0.454 19340 1201 1 3 . 1 1 40 40 VAL N N 40 129.021 129.021 126.019 3.002 19340 1202 1 3 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.837 -0.342 19340 1203 1 3 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.744 1.655 19340 1204 1 3 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.705 0.646 19340 1205 1 3 . 1 1 40 40 VAL H H 40 8.632 8.632 8.485 0.147 19340 1206 1 3 . 1 1 41 41 ASN N N 41 122.301 122.301 117.854 4.447 19340 1207 1 3 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.376 0.074 19340 1208 1 3 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.577 0.434 19340 1209 1 3 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.139 -0.302 19340 1210 1 3 . 1 1 41 41 ASN H H 41 8.673 8.673 8.528 0.145 19340 1211 1 3 . 1 1 42 42 ALA N N 42 124.313 124.313 122.598 1.715 19340 1212 1 3 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.239 -0.041 19340 1213 1 3 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.647 0.224 19340 1214 1 3 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.516 0.161 19340 1215 1 3 . 1 1 42 42 ALA H H 42 8.420 8.420 7.658 0.762 19340 1216 1 3 . 1 1 43 43 PHE N N 43 119.198 119.198 119.734 -0.536 19340 1217 1 3 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.210 0.273 19340 1218 1 3 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.081 -0.914 19340 1219 1 3 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.537 0.637 19340 1220 1 3 . 1 1 43 43 PHE H H 43 8.611 8.611 8.812 -0.201 19340 1221 1 3 . 1 1 44 44 THR N N 44 116.700 116.700 114.312 2.388 19340 1222 1 3 . 1 1 44 44 THR HA H 44 4.349 4.349 3.759 0.590 19340 1223 1 3 . 1 1 44 44 THR CA C 44 68.443 68.443 65.685 2.758 19340 1224 1 3 . 1 1 44 44 THR CB C 44 68.248 68.248 68.354 -0.106 19340 1225 1 3 . 1 1 44 44 THR H H 44 8.881 8.881 8.737 0.144 19340 1226 1 3 . 1 1 45 45 SER N N 45 116.018 116.018 116.917 -0.899 19340 1227 1 3 . 1 1 45 45 SER HA H 45 4.117 4.117 4.183 -0.066 19340 1228 1 3 . 1 1 45 45 SER CA C 45 62.507 62.507 62.350 0.157 19340 1229 1 3 . 1 1 45 45 SER CB C 45 62.706 62.706 62.998 -0.292 19340 1230 1 3 . 1 1 45 45 SER H H 45 8.020 8.020 7.728 0.292 19340 1231 1 3 . 1 1 46 46 GLY N N 46 108.460 108.460 108.937 -0.477 19340 1232 1 3 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.729 0.377 19340 1233 1 3 . 1 1 46 46 GLY H H 46 7.871 7.871 7.712 0.159 19340 1234 1 3 . 1 1 47 47 LEU N N 47 123.148 123.148 122.517 0.631 19340 1235 1 3 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.959 -0.129 19340 1236 1 3 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.423 0.916 19340 1237 1 3 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.470 0.962 19340 1238 1 3 . 1 1 47 47 LEU H H 47 8.221 8.221 7.393 0.828 19340 1239 1 3 . 1 1 48 48 ARG N N 48 118.694 118.694 119.126 -0.432 19340 1240 1 3 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.958 -0.111 19340 1241 1 3 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.830 0.408 19340 1242 1 3 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.807 0.538 19340 1243 1 3 . 1 1 48 48 ARG H H 48 8.646 8.646 8.364 0.282 19340 1244 1 3 . 1 1 49 49 ALA N N 49 122.114 122.114 120.239 1.875 19340 1245 1 3 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.285 -0.126 19340 1246 1 3 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.944 0.264 19340 1247 1 3 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.169 -0.077 19340 1248 1 3 . 1 1 49 49 ALA H H 49 8.078 8.078 7.607 0.471 19340 1249 1 3 . 1 1 50 50 THR N N 50 115.708 115.708 116.420 -0.712 19340 1250 1 3 . 1 1 50 50 THR HA H 50 3.696 3.696 4.108 -0.412 19340 1251 1 3 . 1 1 50 50 THR CA C 50 67.692 67.692 66.031 1.661 19340 1252 1 3 . 1 1 50 50 THR CB C 50 68.599 68.599 68.614 -0.015 19340 1253 1 3 . 1 1 50 50 THR H H 50 7.577 7.577 7.586 -0.009 19340 1254 1 3 . 1 1 51 51 LEU N N 51 121.108 121.108 123.265 -2.157 19340 1255 1 3 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.172 -0.381 19340 1256 1 3 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.551 0.702 19340 1257 1 3 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.773 1.213 19340 1258 1 3 . 1 1 51 51 LEU H H 51 8.014 8.014 8.765 -0.751 19340 1259 1 3 . 1 1 52 52 SER N N 52 115.122 115.122 114.334 0.788 19340 1260 1 3 . 1 1 52 52 SER HA H 52 4.154 4.154 4.114 0.040 19340 1261 1 3 . 1 1 52 52 SER CA C 52 61.765 61.765 61.375 0.390 19340 1262 1 3 . 1 1 52 52 SER CB C 52 62.901 62.901 62.828 0.074 19340 1263 1 3 . 1 1 52 52 SER H H 52 8.442 8.442 7.961 0.481 19340 1264 1 3 . 1 1 53 53 ASN N N 53 119.438 119.438 119.794 -0.356 19340 1265 1 3 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.510 0.130 19340 1266 1 3 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.123 -0.130 19340 1267 1 3 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.834 0.674 19340 1268 1 3 . 1 1 53 53 ASN H H 53 7.705 7.705 7.766 -0.061 19340 1269 1 3 . 1 1 54 54 LEU N N 54 120.042 120.042 120.684 -0.642 19340 1270 1 3 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.199 -0.006 19340 1271 1 3 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.266 -0.151 19340 1272 1 3 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.012 0.977 19340 1273 1 3 . 1 1 54 54 LEU H H 54 7.811 7.811 8.468 -0.657 19340 1274 1 3 . 1 1 55 55 GLY N N 55 109.450 109.450 105.760 3.690 19340 1275 1 3 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.357 1.319 19340 1276 1 3 . 1 1 55 55 GLY H H 55 8.074 8.074 8.115 -0.041 19340 1277 1 3 . 1 1 56 56 ASP N N 56 121.016 121.016 117.975 3.041 19340 1278 1 3 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.829 -0.072 19340 1279 1 3 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.434 1.377 19340 1280 1 3 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.417 -0.879 19340 1281 1 3 . 1 1 56 56 ASP H H 56 8.144 8.144 7.451 0.693 19340 1282 1 3 . 1 1 57 57 SER N N 57 113.978 113.978 114.533 -0.555 19340 1283 1 3 . 1 1 57 57 SER HA H 57 4.305 4.305 4.510 -0.205 19340 1284 1 3 . 1 1 57 57 SER CA C 57 60.031 60.031 59.395 0.636 19340 1285 1 3 . 1 1 57 57 SER CB C 57 65.212 65.212 64.221 0.991 19340 1286 1 3 . 1 1 57 57 SER H H 57 7.742 7.742 7.753 -0.011 19340 1287 1 3 . 1 1 58 58 GLY N N 58 110.315 110.315 107.683 2.632 19340 1288 1 3 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.926 0.764 19340 1289 1 3 . 1 1 58 58 GLY H H 58 8.306 8.306 7.896 0.410 19340 1290 1 3 . 1 1 59 59 MET N N 59 120.024 120.024 116.881 3.143 19340 1291 1 3 . 1 1 59 59 MET HA H 59 4.416 4.416 4.836 -0.420 19340 1292 1 3 . 1 1 59 59 MET CA C 59 56.597 56.597 54.813 1.784 19340 1293 1 3 . 1 1 59 59 MET CB C 59 34.328 34.328 34.253 0.075 19340 1294 1 3 . 1 1 59 59 MET H H 59 7.686 7.686 7.323 0.363 19340 1295 1 3 . 1 1 60 60 SER N N 60 122.795 122.795 114.420 8.375 19340 1296 1 3 . 1 1 60 60 SER HA H 60 4.601 4.601 4.790 -0.189 19340 1297 1 3 . 1 1 60 60 SER CA C 60 57.598 57.598 55.112 2.486 19340 1298 1 3 . 1 1 60 60 SER CB C 60 62.511 62.511 65.032 -2.521 19340 1299 1 3 . 1 1 60 60 SER H H 60 9.088 9.088 8.290 0.798 19340 1300 1 3 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.477 -0.262 19340 1301 1 3 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.144 2.478 19340 1302 1 3 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.887 0.074 19340 1303 1 3 . 1 1 62 62 ASN N N 62 113.170 113.170 116.326 -3.156 19340 1304 1 3 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.642 -0.265 19340 1305 1 3 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.621 1.794 19340 1306 1 3 . 1 1 62 62 ASN CB C 62 38.004 38.004 40.072 -2.067 19340 1307 1 3 . 1 1 62 62 ASN H H 62 8.389 8.389 8.365 0.024 19340 1308 1 3 . 1 1 63 63 GLU N N 63 120.222 120.222 120.578 -0.356 19340 1309 1 3 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.161 -0.409 19340 1310 1 3 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.511 1.157 19340 1311 1 3 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.181 8.655 19340 1312 1 3 . 1 1 63 63 GLU H H 63 7.428 7.428 7.650 -0.222 19340 1313 1 3 . 1 1 64 64 ALA N N 64 120.568 120.568 122.004 -1.436 19340 1314 1 3 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.082 -0.006 19340 1315 1 3 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.465 -0.645 19340 1316 1 3 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.486 -0.144 19340 1317 1 3 . 1 1 64 64 ALA H H 64 8.640 8.640 7.767 0.873 19340 1318 1 3 . 1 1 65 65 LYS N N 65 115.104 115.104 116.479 -1.375 19340 1319 1 3 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.047 -0.424 19340 1320 1 3 . 1 1 65 65 LYS CA C 65 60.876 60.876 58.697 2.179 19340 1321 1 3 . 1 1 65 65 LYS CB C 65 32.852 32.852 31.934 0.918 19340 1322 1 3 . 1 1 65 65 LYS H H 65 7.472 7.472 8.390 -0.918 19340 1323 1 3 . 1 1 66 66 VAL N N 66 116.911 116.911 119.274 -2.363 19340 1324 1 3 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.058 -0.507 19340 1325 1 3 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.385 2.919 19340 1326 1 3 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.170 -0.627 19340 1327 1 3 . 1 1 66 66 VAL H H 66 7.045 7.045 7.233 -0.188 19340 1328 1 3 . 1 1 67 67 GLU N N 67 120.755 120.755 119.994 0.761 19340 1329 1 3 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.120 -0.078 19340 1330 1 3 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.976 -1.567 19340 1331 1 3 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.708 3.227 19340 1332 1 3 . 1 1 67 67 GLU H H 67 8.439 8.439 8.666 -0.227 19340 1333 1 3 . 1 1 68 68 VAL N N 68 119.280 119.280 116.957 2.323 19340 1334 1 3 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.757 -0.402 19340 1335 1 3 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.919 1.514 19340 1336 1 3 . 1 1 68 68 VAL CB C 68 30.652 30.652 30.506 0.146 19340 1337 1 3 . 1 1 68 68 VAL H H 68 8.473 8.473 8.035 0.438 19340 1338 1 3 . 1 1 69 69 LEU N N 69 117.578 117.578 119.378 -1.800 19340 1339 1 3 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.987 -0.029 19340 1340 1 3 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.506 0.851 19340 1341 1 3 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.200 0.897 19340 1342 1 3 . 1 1 69 69 LEU H H 69 7.292 7.292 7.570 -0.278 19340 1343 1 3 . 1 1 70 70 LEU N N 70 118.482 118.482 118.684 -0.202 19340 1344 1 3 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.960 0.021 19340 1345 1 3 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.203 0.171 19340 1346 1 3 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.762 0.419 19340 1347 1 3 . 1 1 70 70 LEU H H 70 8.237 8.237 7.538 0.699 19340 1348 1 3 . 1 1 71 71 GLU N N 71 123.582 123.582 120.120 3.462 19340 1349 1 3 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.963 -0.239 19340 1350 1 3 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.538 1.544 19340 1351 1 3 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.544 7.764 19340 1352 1 3 . 1 1 71 71 GLU H H 71 8.915 8.915 7.798 1.117 19340 1353 1 3 . 1 1 72 72 ALA N N 72 123.321 123.321 122.186 1.135 19340 1354 1 3 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.196 -0.132 19340 1355 1 3 . 1 1 72 72 ALA CA C 72 55.700 55.700 54.978 0.722 19340 1356 1 3 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.581 -0.740 19340 1357 1 3 . 1 1 72 72 ALA H H 72 8.994 8.994 8.287 0.707 19340 1358 1 3 . 1 1 73 73 LEU N N 73 118.574 118.574 119.262 -0.688 19340 1359 1 3 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.030 -0.072 19340 1360 1 3 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.631 0.605 19340 1361 1 3 . 1 1 73 73 LEU CB C 73 42.348 42.348 42.073 0.275 19340 1362 1 3 . 1 1 73 73 LEU H H 73 8.544 8.544 7.567 0.977 19340 1363 1 3 . 1 1 74 74 THR N N 74 115.785 115.785 115.828 -0.043 19340 1364 1 3 . 1 1 74 74 THR HA H 74 3.578 3.578 3.866 -0.288 19340 1365 1 3 . 1 1 74 74 THR CA C 74 68.727 68.727 67.490 1.237 19340 1366 1 3 . 1 1 74 74 THR CB C 74 67.691 67.691 68.557 -0.866 19340 1367 1 3 . 1 1 74 74 THR H H 74 8.137 8.137 8.205 -0.068 19340 1368 1 3 . 1 1 75 75 ALA N N 75 123.543 123.543 122.879 0.664 19340 1369 1 3 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.038 -0.342 19340 1370 1 3 . 1 1 75 75 ALA CA C 75 55.562 55.562 55.090 0.472 19340 1371 1 3 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.243 1.130 19340 1372 1 3 . 1 1 75 75 ALA H H 75 8.585 8.585 7.700 0.885 19340 1373 1 3 . 1 1 76 76 ALA N N 76 118.729 118.729 120.873 -2.144 19340 1374 1 3 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.041 -0.267 19340 1375 1 3 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.350 1.091 19340 1376 1 3 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.694 -0.546 19340 1377 1 3 . 1 1 76 76 ALA H H 76 8.199 8.199 7.232 0.967 19340 1378 1 3 . 1 1 77 77 LEU N N 77 117.321 117.321 119.197 -1.876 19340 1379 1 3 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.843 0.032 19340 1380 1 3 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.709 0.493 19340 1381 1 3 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.773 -1.151 19340 1382 1 3 . 1 1 77 77 LEU H H 77 8.265 8.265 8.749 -0.484 19340 1383 1 3 . 1 1 78 78 GLN N N 78 121.687 121.687 118.010 3.677 19340 1384 1 3 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.063 -0.250 19340 1385 1 3 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.191 0.442 19340 1386 1 3 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.080 4.359 19340 1387 1 3 . 1 1 78 78 GLN H H 78 8.776 8.776 8.164 0.612 19340 1388 1 3 . 1 1 79 79 LEU N N 79 120.042 120.042 120.143 -0.101 19340 1389 1 3 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.173 -0.165 19340 1390 1 3 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.446 0.290 19340 1391 1 3 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.159 0.384 19340 1392 1 3 . 1 1 79 79 LEU H H 79 7.990 7.990 7.341 0.649 19340 1393 1 3 . 1 1 80 80 LEU N N 80 122.157 122.157 120.273 1.884 19340 1394 1 3 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.014 -0.190 19340 1395 1 3 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.013 1.076 19340 1396 1 3 . 1 1 80 80 LEU CB C 80 42.404 42.404 40.013 2.391 19340 1397 1 3 . 1 1 80 80 LEU H H 80 8.454 8.454 8.686 -0.232 19340 1398 1 3 . 1 1 81 81 SER N N 81 114.179 114.179 114.602 -0.423 19340 1399 1 3 . 1 1 81 81 SER HA H 81 3.897 3.897 4.230 -0.333 19340 1400 1 3 . 1 1 81 81 SER CA C 81 61.756 61.756 60.715 1.041 19340 1401 1 3 . 1 1 81 81 SER CB C 81 63.486 63.486 62.881 0.605 19340 1402 1 3 . 1 1 81 81 SER H H 81 8.006 8.006 7.940 0.066 19340 1403 1 3 . 1 1 82 82 SER N N 82 113.392 113.392 114.128 -0.736 19340 1404 1 3 . 1 1 82 82 SER HA H 82 4.718 4.718 4.585 0.133 19340 1405 1 3 . 1 1 82 82 SER CA C 82 57.718 57.718 57.829 -0.111 19340 1406 1 3 . 1 1 82 82 SER CB C 82 64.377 64.377 63.979 0.398 19340 1407 1 3 . 1 1 82 82 SER H H 82 7.160 7.160 8.019 -0.859 19340 1408 1 3 . 1 1 83 83 SER N N 83 117.607 117.607 117.495 0.112 19340 1409 1 3 . 1 1 83 83 SER HA H 83 4.885 4.885 4.638 0.247 19340 1410 1 3 . 1 1 83 83 SER CA C 83 59.263 59.263 58.575 0.688 19340 1411 1 3 . 1 1 83 83 SER CB C 83 65.352 65.352 64.534 0.818 19340 1412 1 3 . 1 1 83 83 SER H H 83 7.369 7.369 7.811 -0.442 19340 1413 1 3 . 1 1 84 84 THR N N 84 117.656 117.656 115.582 2.074 19340 1414 1 3 . 1 1 84 84 THR HA H 84 4.545 4.545 4.461 0.084 19340 1415 1 3 . 1 1 84 84 THR CA C 84 62.006 62.006 62.399 -0.393 19340 1416 1 3 . 1 1 84 84 THR CB C 84 69.724 69.724 69.309 0.415 19340 1417 1 3 . 1 1 84 84 THR H H 84 8.488 8.488 8.088 0.400 19340 1418 1 3 . 1 1 85 85 LEU N N 85 130.429 130.429 119.948 10.481 19340 1419 1 3 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.089 0.199 19340 1420 1 3 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.201 1.094 19340 1421 1 3 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.526 1.865 19340 1422 1 3 . 1 1 85 85 LEU H H 85 8.878 8.878 7.678 1.200 19340 1423 1 3 . 1 1 86 86 GLY N N 86 112.150 112.150 107.534 4.616 19340 1424 1 3 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.590 -1.788 19340 1425 1 3 . 1 1 86 86 GLY H H 86 7.901 7.901 8.936 -1.035 19340 1426 1 3 . 1 1 87 87 ALA N N 87 122.559 122.559 122.554 0.005 19340 1427 1 3 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.493 -0.209 19340 1428 1 3 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.132 -0.176 19340 1429 1 3 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.664 -0.319 19340 1430 1 3 . 1 1 87 87 ALA H H 87 8.113 8.113 7.616 0.497 19340 1431 1 3 . 1 1 88 88 VAL N N 88 122.375 122.375 117.974 4.401 19340 1432 1 3 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.279 -0.472 19340 1433 1 3 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.679 0.285 19340 1434 1 3 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.813 -0.184 19340 1435 1 3 . 1 1 88 88 VAL H H 88 8.447 8.447 8.309 0.138 19340 1436 1 3 . 1 1 89 89 ASP N N 89 127.408 127.408 119.508 7.900 19340 1437 1 3 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.479 0.379 19340 1438 1 3 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.754 -2.152 19340 1439 1 3 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.801 1.016 19340 1440 1 3 . 1 1 89 89 ASP H H 89 8.570 8.570 8.447 0.123 19340 1441 1 3 . 1 1 90 90 THR N N 90 116.481 116.481 109.800 6.681 19340 1442 1 3 . 1 1 90 90 THR HA H 90 3.953 3.953 4.106 -0.153 19340 1443 1 3 . 1 1 90 90 THR CA C 90 63.879 63.879 64.157 -0.278 19340 1444 1 3 . 1 1 90 90 THR CB C 90 68.833 68.833 69.083 -0.250 19340 1445 1 3 . 1 1 90 90 THR H H 90 8.539 8.539 8.310 0.229 19340 1446 1 3 . 1 1 91 91 THR N N 91 114.681 114.681 115.539 -0.858 19340 1447 1 3 . 1 1 91 91 THR HA H 91 4.182 4.182 4.288 -0.106 19340 1448 1 3 . 1 1 91 91 THR CA C 91 64.750 64.750 64.112 0.638 19340 1449 1 3 . 1 1 91 91 THR CB C 91 69.055 69.055 68.697 0.358 19340 1450 1 3 . 1 1 91 91 THR H H 91 8.335 8.335 7.951 0.384 19340 1451 1 3 . 1 1 92 92 SER N N 92 114.236 114.236 116.750 -2.514 19340 1452 1 3 . 1 1 92 92 SER HA H 92 4.668 4.668 4.654 0.014 19340 1453 1 3 . 1 1 92 92 SER CA C 92 58.460 58.460 58.314 0.146 19340 1454 1 3 . 1 1 92 92 SER CB C 92 64.433 64.433 63.619 0.814 19340 1455 1 3 . 1 1 92 92 SER H H 92 7.642 7.642 7.611 0.031 19340 1456 1 3 . 1 1 93 93 ILE N N 93 122.128 122.128 123.189 -1.061 19340 1457 1 3 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.767 0.046 19340 1458 1 3 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.225 -0.095 19340 1459 1 3 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.294 0.905 19340 1460 1 3 . 1 1 93 93 ILE H H 93 7.276 7.276 7.183 0.093 19340 1461 1 3 . 1 1 94 94 GLY N N 94 108.426 108.426 107.256 1.170 19340 1462 1 3 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.222 -0.223 19340 1463 1 3 . 1 1 94 94 GLY H H 94 8.756 8.756 8.681 0.075 19340 1464 1 3 . 1 1 95 95 LEU N N 95 123.674 123.674 122.361 1.313 19340 1465 1 3 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.168 0.114 19340 1466 1 3 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.631 0.398 19340 1467 1 3 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.786 -0.524 19340 1468 1 3 . 1 1 95 95 LEU H H 95 7.568 7.568 7.548 0.020 19340 1469 1 3 . 1 1 96 96 THR N N 96 119.717 119.717 116.682 3.035 19340 1470 1 3 . 1 1 96 96 THR HA H 96 3.837 3.837 3.933 -0.096 19340 1471 1 3 . 1 1 96 96 THR CA C 96 66.683 66.683 67.354 -0.671 19340 1472 1 3 . 1 1 96 96 THR CB C 96 67.969 67.969 68.557 -0.588 19340 1473 1 3 . 1 1 96 96 THR H H 96 8.430 8.430 8.451 -0.021 19340 1474 1 3 . 1 1 97 97 SER N N 97 117.285 117.285 116.191 1.094 19340 1475 1 3 . 1 1 97 97 SER HA H 97 4.094 4.094 4.116 -0.022 19340 1476 1 3 . 1 1 97 97 SER CA C 97 62.507 62.507 61.518 0.989 19340 1477 1 3 . 1 1 97 97 SER CB C 97 62.845 62.845 63.001 -0.156 19340 1478 1 3 . 1 1 97 97 SER H H 97 9.000 9.000 8.797 0.203 19340 1479 1 3 . 1 1 98 98 ASN N N 98 121.846 121.846 119.749 2.097 19340 1480 1 3 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.604 -0.216 19340 1481 1 3 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.418 1.464 19340 1482 1 3 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.663 0.171 19340 1483 1 3 . 1 1 98 98 ASN H H 98 7.939 7.939 7.691 0.248 19340 1484 1 3 . 1 1 99 99 SER N N 99 117.585 117.585 117.185 0.400 19340 1485 1 3 . 1 1 99 99 SER HA H 99 4.204 4.204 4.307 -0.103 19340 1486 1 3 . 1 1 99 99 SER CA C 99 62.886 62.886 62.076 0.810 19340 1487 1 3 . 1 1 99 99 SER CB C 99 62.984 62.984 63.333 -0.349 19340 1488 1 3 . 1 1 99 99 SER H H 99 8.370 8.370 8.219 0.151 19340 1489 1 3 . 1 1 100 100 VAL N N 100 121.524 121.524 119.405 2.119 19340 1490 1 3 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.910 -0.359 19340 1491 1 3 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.525 1.427 19340 1492 1 3 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.320 0.334 19340 1493 1 3 . 1 1 100 100 VAL H H 100 8.565 8.565 8.345 0.220 19340 1494 1 3 . 1 1 101 101 SER N N 101 113.005 113.005 116.290 -3.285 19340 1495 1 3 . 1 1 101 101 SER HA H 101 3.875 3.875 4.140 -0.265 19340 1496 1 3 . 1 1 101 101 SER CA C 101 62.326 62.326 61.951 0.375 19340 1497 1 3 . 1 1 101 101 SER CB C 101 63.263 63.263 62.921 0.342 19340 1498 1 3 . 1 1 101 101 SER H H 101 8.272 8.272 7.837 0.435 19340 1499 1 3 . 1 1 102 102 LYS N N 102 119.357 119.357 121.540 -2.183 19340 1500 1 3 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.113 -0.093 19340 1501 1 3 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.062 0.537 19340 1502 1 3 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.459 0.684 19340 1503 1 3 . 1 1 102 102 LYS H H 102 7.953 7.953 7.809 0.144 19340 1504 1 3 . 1 1 103 103 ALA N N 103 120.882 120.882 122.685 -1.803 19340 1505 1 3 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.999 0.244 19340 1506 1 3 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.866 -0.279 19340 1507 1 3 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.285 2.341 19340 1508 1 3 . 1 1 103 103 ALA H H 103 8.049 8.049 8.311 -0.262 19340 1509 1 3 . 1 1 104 104 VAL N N 104 116.191 116.191 118.748 -2.557 19340 1510 1 3 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.373 -0.124 19340 1511 1 3 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.729 0.385 19340 1512 1 3 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.796 -0.782 19340 1513 1 3 . 1 1 104 104 VAL H H 104 8.572 8.572 8.203 0.369 19340 1514 1 3 . 1 1 105 105 ALA N N 105 121.884 121.884 120.432 1.452 19340 1515 1 3 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.223 -0.332 19340 1516 1 3 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.358 0.945 19340 1517 1 3 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.369 0.113 19340 1518 1 3 . 1 1 105 105 ALA H H 105 8.347 8.347 7.738 0.609 19340 1519 1 3 . 1 1 106 106 GLN N N 106 113.657 113.657 118.574 -4.917 19340 1520 1 3 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.116 -0.085 19340 1521 1 3 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.377 -0.029 19340 1522 1 3 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.000 6.247 19340 1523 1 3 . 1 1 106 106 GLN H H 106 7.838 7.838 7.881 -0.043 19340 1524 1 3 . 1 1 107 107 ALA N N 107 117.818 117.818 121.035 -3.217 19340 1525 1 3 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.304 -0.050 19340 1526 1 3 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.052 0.103 19340 1527 1 3 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.815 3.343 19340 1528 1 3 . 1 1 107 107 ALA H H 107 8.145 8.145 7.858 0.287 19340 1529 1 3 . 1 1 108 108 LEU N N 108 113.428 113.428 118.674 -5.246 19340 1530 1 3 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.231 0.191 19340 1531 1 3 . 1 1 108 108 LEU CA C 108 54.405 54.405 56.115 -1.710 19340 1532 1 3 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.202 0.453 19340 1533 1 3 . 1 1 108 108 LEU H H 108 8.341 8.341 7.976 0.365 19340 1534 1 4 . 1 1 2 2 SER N N 2 117.112 117.112 116.145 0.967 19340 1535 1 4 . 1 1 2 2 SER HA H 2 4.500 4.500 4.037 0.463 19340 1536 1 4 . 1 1 2 2 SER CA C 2 58.547 58.547 57.881 0.666 19340 1537 1 4 . 1 1 2 2 SER CB C 2 63.820 63.820 64.226 -0.406 19340 1538 1 4 . 1 1 2 2 SER H H 2 8.748 8.748 8.004 0.744 19340 1539 1 4 . 1 1 3 3 PHE N N 3 123.783 123.783 121.976 1.807 19340 1540 1 4 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.494 -0.273 19340 1541 1 4 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.746 2.345 19340 1542 1 4 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.531 0.336 19340 1543 1 4 . 1 1 3 3 PHE H H 3 8.398 8.398 8.513 -0.115 19340 1544 1 4 . 1 1 4 4 GLY N N 4 106.435 106.435 108.149 -1.714 19340 1545 1 4 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.845 0.374 19340 1546 1 4 . 1 1 4 4 GLY H H 4 8.699 8.699 8.377 0.322 19340 1547 1 4 . 1 1 5 5 LEU N N 5 121.041 121.041 119.414 1.627 19340 1548 1 4 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.299 -0.168 19340 1549 1 4 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.439 0.167 19340 1550 1 4 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.605 0.186 19340 1551 1 4 . 1 1 5 5 LEU H H 5 7.590 7.590 7.328 0.262 19340 1552 1 4 . 1 1 6 6 VAL N N 6 118.980 118.980 115.824 3.156 19340 1553 1 4 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.840 -0.139 19340 1554 1 4 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.283 0.485 19340 1555 1 4 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.207 1.115 19340 1556 1 4 . 1 1 6 6 VAL H H 6 7.630 7.630 7.613 0.017 19340 1557 1 4 . 1 1 7 7 LEU N N 7 120.127 120.127 117.251 2.876 19340 1558 1 4 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.201 0.059 19340 1559 1 4 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.554 0.517 19340 1560 1 4 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.312 0.479 19340 1561 1 4 . 1 1 7 7 LEU H H 7 8.171 8.171 7.467 0.704 19340 1562 1 4 . 1 1 8 8 ASN N N 8 114.592 114.592 116.062 -1.470 19340 1563 1 4 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.730 0.094 19340 1564 1 4 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.315 -0.592 19340 1565 1 4 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.547 -0.207 19340 1566 1 4 . 1 1 8 8 ASN H H 8 7.602 7.602 7.563 0.039 19340 1567 1 4 . 1 1 9 9 SER N N 9 116.029 116.029 116.935 -0.906 19340 1568 1 4 . 1 1 9 9 SER HA H 9 4.690 4.690 4.602 0.088 19340 1569 1 4 . 1 1 9 9 SER CA C 9 56.675 56.675 57.442 -0.767 19340 1570 1 4 . 1 1 9 9 SER CB C 9 64.210 64.210 63.622 0.588 19340 1571 1 4 . 1 1 9 9 SER H H 9 7.186 7.186 7.745 -0.559 19340 1572 1 4 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.453 -0.014 19340 1573 1 4 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.502 0.205 19340 1574 1 4 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.066 -0.022 19340 1575 1 4 . 1 1 11 11 ASN N N 11 114.702 114.702 113.802 0.900 19340 1576 1 4 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.855 0.204 19340 1577 1 4 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.923 0.843 19340 1578 1 4 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.952 2.335 19340 1579 1 4 . 1 1 11 11 ASN H H 11 8.150 8.150 7.894 0.256 19340 1580 1 4 . 1 1 12 12 GLY N N 12 122.938 122.938 109.941 12.997 19340 1581 1 4 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.392 -1.271 19340 1582 1 4 . 1 1 12 12 GLY H H 12 7.324 7.324 7.616 -0.292 19340 1583 1 4 . 1 1 13 13 LEU N N 13 124.662 124.662 120.398 4.264 19340 1584 1 4 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.496 -0.767 19340 1585 1 4 . 1 1 13 13 LEU CA C 13 58.020 58.020 54.936 3.084 19340 1586 1 4 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.540 1.145 19340 1587 1 4 . 1 1 13 13 LEU H H 13 9.253 9.253 8.326 0.927 19340 1588 1 4 . 1 1 14 14 ARG N N 14 113.071 113.071 118.950 -5.879 19340 1589 1 4 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.176 0.112 19340 1590 1 4 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.127 -0.737 19340 1591 1 4 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.323 -0.284 19340 1592 1 4 . 1 1 14 14 ARG H H 14 8.168 8.168 8.185 -0.017 19340 1593 1 4 . 1 1 15 15 SER N N 15 118.055 118.055 113.561 4.494 19340 1594 1 4 . 1 1 15 15 SER HA H 15 4.690 4.690 4.663 0.027 19340 1595 1 4 . 1 1 15 15 SER CA C 15 57.520 57.520 57.388 0.132 19340 1596 1 4 . 1 1 15 15 SER CB C 15 65.463 65.463 64.240 1.222 19340 1597 1 4 . 1 1 15 15 SER H H 15 8.264 8.264 7.723 0.541 19340 1598 1 4 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.322 0.055 19340 1599 1 4 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.994 0.360 19340 1600 1 4 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.942 -0.176 19340 1601 1 4 . 1 1 17 17 GLN N N 17 117.374 117.374 117.775 -0.401 19340 1602 1 4 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.089 0.026 19340 1603 1 4 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.685 0.586 19340 1604 1 4 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.238 0.656 19340 1605 1 4 . 1 1 17 17 GLN H H 17 8.661 8.661 8.773 -0.112 19340 1606 1 4 . 1 1 18 18 ALA N N 18 122.904 122.904 123.124 -0.220 19340 1607 1 4 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.078 -0.209 19340 1608 1 4 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.847 0.542 19340 1609 1 4 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.286 1.031 19340 1610 1 4 . 1 1 18 18 ALA H H 18 7.785 7.785 7.631 0.154 19340 1611 1 4 . 1 1 19 19 LYS N N 19 116.947 116.947 119.157 -2.210 19340 1612 1 4 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.020 -0.268 19340 1613 1 4 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.281 1.449 19340 1614 1 4 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.276 -0.677 19340 1615 1 4 . 1 1 19 19 LYS H H 19 7.410 7.410 7.514 -0.104 19340 1616 1 4 . 1 1 20 20 ALA N N 20 119.887 119.887 122.148 -2.261 19340 1617 1 4 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.020 0.151 19340 1618 1 4 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.117 -0.108 19340 1619 1 4 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.429 -0.142 19340 1620 1 4 . 1 1 20 20 ALA H H 20 7.362 7.362 7.616 -0.254 19340 1621 1 4 . 1 1 21 21 ARG N N 21 118.182 118.182 118.955 -0.773 19340 1622 1 4 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.036 0.012 19340 1623 1 4 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.297 1.295 19340 1624 1 4 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.234 1.782 19340 1625 1 4 . 1 1 21 21 ARG H H 21 7.502 7.502 7.559 -0.057 19340 1626 1 4 . 1 1 22 22 ILE N N 22 122.484 122.484 119.919 2.565 19340 1627 1 4 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.661 -0.116 19340 1628 1 4 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.384 0.626 19340 1629 1 4 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.544 0.460 19340 1630 1 4 . 1 1 22 22 ILE H H 22 9.258 9.258 7.992 1.266 19340 1631 1 4 . 1 1 23 23 ASN N N 23 119.721 119.721 118.858 0.863 19340 1632 1 4 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.334 -0.057 19340 1633 1 4 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.792 0.366 19340 1634 1 4 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.250 0.701 19340 1635 1 4 . 1 1 23 23 ASN H H 23 8.395 8.395 7.994 0.401 19340 1636 1 4 . 1 1 24 24 ASN N N 24 117.554 117.554 118.643 -1.089 19340 1637 1 4 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.483 0.012 19340 1638 1 4 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.869 0.590 19340 1639 1 4 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.081 -0.127 19340 1640 1 4 . 1 1 24 24 ASN H H 24 8.002 8.002 7.747 0.255 19340 1641 1 4 . 1 1 25 25 LEU N N 25 123.367 123.367 121.870 1.497 19340 1642 1 4 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.156 -0.002 19340 1643 1 4 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.206 -0.289 19340 1644 1 4 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.776 1.157 19340 1645 1 4 . 1 1 25 25 LEU H H 25 8.235 8.235 7.660 0.575 19340 1646 1 4 . 1 1 26 26 ALA N N 26 123.137 123.137 120.209 2.928 19340 1647 1 4 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.232 -0.363 19340 1648 1 4 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.755 0.953 19340 1649 1 4 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.188 -1.238 19340 1650 1 4 . 1 1 26 26 ALA H H 26 9.068 9.068 8.362 0.706 19340 1651 1 4 . 1 1 27 27 SER N N 27 113.809 113.809 113.020 0.789 19340 1652 1 4 . 1 1 27 27 SER HA H 27 4.182 4.182 4.443 -0.261 19340 1653 1 4 . 1 1 27 27 SER CA C 27 62.075 62.075 60.094 1.981 19340 1654 1 4 . 1 1 27 27 SER CB C 27 62.929 62.929 64.097 -1.167 19340 1655 1 4 . 1 1 27 27 SER H H 27 8.004 8.004 7.401 0.603 19340 1656 1 4 . 1 1 28 28 ALA N N 28 124.782 124.782 125.650 -0.868 19340 1657 1 4 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.063 0.141 19340 1658 1 4 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.182 0.078 19340 1659 1 4 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.438 -0.736 19340 1660 1 4 . 1 1 28 28 ALA H H 28 7.970 7.970 7.954 0.016 19340 1661 1 4 . 1 1 29 29 LEU N N 29 117.907 117.907 117.732 0.175 19340 1662 1 4 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.843 -0.019 19340 1663 1 4 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.104 -0.109 19340 1664 1 4 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.374 1.152 19340 1665 1 4 . 1 1 29 29 LEU H H 29 8.960 8.960 8.734 0.226 19340 1666 1 4 . 1 1 30 30 SER N N 30 112.859 112.859 112.267 0.592 19340 1667 1 4 . 1 1 30 30 SER HA H 30 4.076 4.076 4.068 0.008 19340 1668 1 4 . 1 1 30 30 SER CA C 30 61.998 61.998 60.832 1.166 19340 1669 1 4 . 1 1 30 30 SER CB C 30 63.012 63.012 62.939 0.073 19340 1670 1 4 . 1 1 30 30 SER H H 30 7.951 7.951 7.948 0.003 19340 1671 1 4 . 1 1 31 31 THR N N 31 109.820 109.820 115.927 -6.107 19340 1672 1 4 . 1 1 31 31 THR HA H 31 4.472 4.472 4.242 0.230 19340 1673 1 4 . 1 1 31 31 THR CA C 31 62.731 62.731 64.505 -1.774 19340 1674 1 4 . 1 1 31 31 THR CB C 31 69.362 69.362 69.155 0.207 19340 1675 1 4 . 1 1 31 31 THR H H 31 7.164 7.164 7.472 -0.308 19340 1676 1 4 . 1 1 32 32 ALA N N 32 122.926 122.926 122.800 0.126 19340 1677 1 4 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.338 0.089 19340 1678 1 4 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.443 -0.358 19340 1679 1 4 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.775 0.851 19340 1680 1 4 . 1 1 32 32 ALA H H 32 7.997 7.997 7.688 0.309 19340 1681 1 4 . 1 1 33 33 VAL N N 33 116.339 116.339 118.087 -1.748 19340 1682 1 4 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.143 0.318 19340 1683 1 4 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.831 -1.230 19340 1684 1 4 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.807 0.822 19340 1685 1 4 . 1 1 33 33 VAL H H 33 7.550 7.550 8.105 -0.555 19340 1686 1 4 . 1 1 34 34 GLY N N 34 113.114 113.114 114.041 -0.927 19340 1687 1 4 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.880 -0.611 19340 1688 1 4 . 1 1 34 34 GLY H H 34 7.886 7.886 8.553 -0.667 19340 1689 1 4 . 1 1 35 35 ARG N N 35 120.709 120.709 120.424 0.285 19340 1690 1 4 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.313 0.070 19340 1691 1 4 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.888 1.012 19340 1692 1 4 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.821 0.051 19340 1693 1 4 . 1 1 35 35 ARG H H 35 8.773 8.773 8.540 0.233 19340 1694 1 4 . 1 1 36 36 ASN N N 36 114.578 114.578 116.744 -2.166 19340 1695 1 4 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.730 0.094 19340 1696 1 4 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.301 0.793 19340 1697 1 4 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.284 0.333 19340 1698 1 4 . 1 1 36 36 ASN H H 36 8.628 8.628 7.990 0.638 19340 1699 1 4 . 1 1 37 37 GLY N N 37 108.462 108.462 110.027 -1.565 19340 1700 1 4 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.778 -1.061 19340 1701 1 4 . 1 1 37 37 GLY H H 37 7.880 7.880 7.978 -0.098 19340 1702 1 4 . 1 1 38 38 VAL N N 38 121.761 121.761 120.617 1.144 19340 1703 1 4 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.256 0.121 19340 1704 1 4 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.517 -0.450 19340 1705 1 4 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.076 -0.305 19340 1706 1 4 . 1 1 38 38 VAL H H 38 8.565 8.565 7.724 0.841 19340 1707 1 4 . 1 1 39 39 ASP N N 39 127.585 127.585 128.131 -0.546 19340 1708 1 4 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.885 -0.234 19340 1709 1 4 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.912 0.933 19340 1710 1 4 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.747 0.682 19340 1711 1 4 . 1 1 39 39 ASP H H 39 9.007 9.007 8.536 0.471 19340 1712 1 4 . 1 1 40 40 VAL N N 40 129.021 129.021 126.473 2.548 19340 1713 1 4 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.798 -0.303 19340 1714 1 4 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.950 1.449 19340 1715 1 4 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.691 0.660 19340 1716 1 4 . 1 1 40 40 VAL H H 40 8.632 8.632 8.521 0.111 19340 1717 1 4 . 1 1 41 41 ASN N N 41 122.301 122.301 118.247 4.054 19340 1718 1 4 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.359 0.091 19340 1719 1 4 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.726 0.285 19340 1720 1 4 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.276 -0.439 19340 1721 1 4 . 1 1 41 41 ASN H H 41 8.673 8.673 8.613 0.060 19340 1722 1 4 . 1 1 42 42 ALA N N 42 124.313 124.313 122.607 1.706 19340 1723 1 4 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.258 -0.060 19340 1724 1 4 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.607 0.264 19340 1725 1 4 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.436 0.241 19340 1726 1 4 . 1 1 42 42 ALA H H 42 8.420 8.420 7.477 0.943 19340 1727 1 4 . 1 1 43 43 PHE N N 43 119.198 119.198 119.669 -0.471 19340 1728 1 4 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.206 0.277 19340 1729 1 4 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.090 -0.923 19340 1730 1 4 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.531 0.643 19340 1731 1 4 . 1 1 43 43 PHE H H 43 8.611 8.611 8.806 -0.195 19340 1732 1 4 . 1 1 44 44 THR N N 44 116.700 116.700 114.201 2.499 19340 1733 1 4 . 1 1 44 44 THR HA H 44 4.349 4.349 3.764 0.585 19340 1734 1 4 . 1 1 44 44 THR CA C 44 68.443 68.443 65.658 2.785 19340 1735 1 4 . 1 1 44 44 THR CB C 44 68.248 68.248 68.347 -0.099 19340 1736 1 4 . 1 1 44 44 THR H H 44 8.881 8.881 8.737 0.144 19340 1737 1 4 . 1 1 45 45 SER N N 45 116.018 116.018 116.884 -0.866 19340 1738 1 4 . 1 1 45 45 SER HA H 45 4.117 4.117 4.187 -0.070 19340 1739 1 4 . 1 1 45 45 SER CA C 45 62.507 62.507 62.301 0.206 19340 1740 1 4 . 1 1 45 45 SER CB C 45 62.706 62.706 63.003 -0.297 19340 1741 1 4 . 1 1 45 45 SER H H 45 8.020 8.020 7.730 0.290 19340 1742 1 4 . 1 1 46 46 GLY N N 46 108.460 108.460 108.939 -0.479 19340 1743 1 4 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.743 0.363 19340 1744 1 4 . 1 1 46 46 GLY H H 46 7.871 7.871 7.707 0.164 19340 1745 1 4 . 1 1 47 47 LEU N N 47 123.148 123.148 122.655 0.493 19340 1746 1 4 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.980 -0.150 19340 1747 1 4 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.322 1.018 19340 1748 1 4 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.408 1.024 19340 1749 1 4 . 1 1 47 47 LEU H H 47 8.221 8.221 7.389 0.832 19340 1750 1 4 . 1 1 48 48 ARG N N 48 118.694 118.694 118.990 -0.296 19340 1751 1 4 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.962 -0.115 19340 1752 1 4 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.784 0.454 19340 1753 1 4 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.764 0.581 19340 1754 1 4 . 1 1 48 48 ARG H H 48 8.646 8.646 8.331 0.315 19340 1755 1 4 . 1 1 49 49 ALA N N 49 122.114 122.114 120.555 1.559 19340 1756 1 4 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.271 -0.112 19340 1757 1 4 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.998 0.210 19340 1758 1 4 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.170 -0.078 19340 1759 1 4 . 1 1 49 49 ALA H H 49 8.078 8.078 7.520 0.558 19340 1760 1 4 . 1 1 50 50 THR N N 50 115.708 115.708 116.546 -0.838 19340 1761 1 4 . 1 1 50 50 THR HA H 50 3.696 3.696 4.065 -0.369 19340 1762 1 4 . 1 1 50 50 THR CA C 50 67.692 67.692 66.117 1.575 19340 1763 1 4 . 1 1 50 50 THR CB C 50 68.599 68.599 68.564 0.035 19340 1764 1 4 . 1 1 50 50 THR H H 50 7.577 7.577 7.601 -0.024 19340 1765 1 4 . 1 1 51 51 LEU N N 51 121.108 121.108 122.992 -1.884 19340 1766 1 4 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.114 -0.323 19340 1767 1 4 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.808 0.445 19340 1768 1 4 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.724 1.262 19340 1769 1 4 . 1 1 51 51 LEU H H 51 8.014 8.014 8.795 -0.781 19340 1770 1 4 . 1 1 52 52 SER N N 52 115.122 115.122 113.910 1.212 19340 1771 1 4 . 1 1 52 52 SER HA H 52 4.154 4.154 4.122 0.032 19340 1772 1 4 . 1 1 52 52 SER CA C 52 61.765 61.765 61.388 0.377 19340 1773 1 4 . 1 1 52 52 SER CB C 52 62.901 62.901 62.839 0.062 19340 1774 1 4 . 1 1 52 52 SER H H 52 8.442 8.442 7.975 0.467 19340 1775 1 4 . 1 1 53 53 ASN N N 53 119.438 119.438 119.414 0.024 19340 1776 1 4 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.577 0.063 19340 1777 1 4 . 1 1 53 53 ASN CA C 53 55.993 55.993 55.810 0.183 19340 1778 1 4 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.802 0.706 19340 1779 1 4 . 1 1 53 53 ASN H H 53 7.705 7.705 7.692 0.013 19340 1780 1 4 . 1 1 54 54 LEU N N 54 120.042 120.042 120.954 -0.912 19340 1781 1 4 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.185 0.008 19340 1782 1 4 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.439 -0.324 19340 1783 1 4 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.924 1.065 19340 1784 1 4 . 1 1 54 54 LEU H H 54 7.811 7.811 8.741 -0.930 19340 1785 1 4 . 1 1 55 55 GLY N N 55 109.450 109.450 105.872 3.578 19340 1786 1 4 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.480 1.196 19340 1787 1 4 . 1 1 55 55 GLY H H 55 8.074 8.074 8.282 -0.208 19340 1788 1 4 . 1 1 56 56 ASP N N 56 121.016 121.016 117.734 3.282 19340 1789 1 4 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.834 -0.077 19340 1790 1 4 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.181 1.630 19340 1791 1 4 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.439 -0.901 19340 1792 1 4 . 1 1 56 56 ASP H H 56 8.144 8.144 7.479 0.665 19340 1793 1 4 . 1 1 57 57 SER N N 57 113.978 113.978 114.883 -0.905 19340 1794 1 4 . 1 1 57 57 SER HA H 57 4.305 4.305 4.420 -0.115 19340 1795 1 4 . 1 1 57 57 SER CA C 57 60.031 60.031 60.349 -0.318 19340 1796 1 4 . 1 1 57 57 SER CB C 57 65.212 65.212 64.738 0.474 19340 1797 1 4 . 1 1 57 57 SER H H 57 7.742 7.742 7.919 -0.177 19340 1798 1 4 . 1 1 58 58 GLY N N 58 110.315 110.315 107.738 2.577 19340 1799 1 4 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.980 0.710 19340 1800 1 4 . 1 1 58 58 GLY H H 58 8.306 8.306 7.874 0.432 19340 1801 1 4 . 1 1 59 59 MET N N 59 120.024 120.024 116.886 3.138 19340 1802 1 4 . 1 1 59 59 MET HA H 59 4.416 4.416 4.860 -0.444 19340 1803 1 4 . 1 1 59 59 MET CA C 59 56.597 56.597 54.656 1.941 19340 1804 1 4 . 1 1 59 59 MET CB C 59 34.328 34.328 34.290 0.038 19340 1805 1 4 . 1 1 59 59 MET H H 59 7.686 7.686 7.306 0.380 19340 1806 1 4 . 1 1 60 60 SER N N 60 122.795 122.795 114.355 8.440 19340 1807 1 4 . 1 1 60 60 SER HA H 60 4.601 4.601 4.802 -0.201 19340 1808 1 4 . 1 1 60 60 SER CA C 60 57.598 57.598 55.039 2.558 19340 1809 1 4 . 1 1 60 60 SER CB C 60 62.511 62.511 65.080 -2.569 19340 1810 1 4 . 1 1 60 60 SER H H 60 9.088 9.088 8.294 0.794 19340 1811 1 4 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.491 -0.276 19340 1812 1 4 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.242 2.380 19340 1813 1 4 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.868 0.093 19340 1814 1 4 . 1 1 62 62 ASN N N 62 113.170 113.170 116.867 -3.697 19340 1815 1 4 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.673 -0.296 19340 1816 1 4 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.773 1.643 19340 1817 1 4 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.924 -1.920 19340 1818 1 4 . 1 1 62 62 ASN H H 62 8.389 8.389 8.401 -0.012 19340 1819 1 4 . 1 1 63 63 GLU N N 63 120.222 120.222 120.538 -0.316 19340 1820 1 4 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.168 -0.416 19340 1821 1 4 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.439 1.229 19340 1822 1 4 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.142 8.695 19340 1823 1 4 . 1 1 63 63 GLU H H 63 7.428 7.428 7.656 -0.228 19340 1824 1 4 . 1 1 64 64 ALA N N 64 120.568 120.568 122.180 -1.612 19340 1825 1 4 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.062 0.014 19340 1826 1 4 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.411 -0.591 19340 1827 1 4 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.536 -0.194 19340 1828 1 4 . 1 1 64 64 ALA H H 64 8.640 8.640 7.824 0.816 19340 1829 1 4 . 1 1 65 65 LYS N N 65 115.104 115.104 116.692 -1.588 19340 1830 1 4 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.004 -0.381 19340 1831 1 4 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.171 1.705 19340 1832 1 4 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.174 0.678 19340 1833 1 4 . 1 1 65 65 LYS H H 65 7.472 7.472 8.276 -0.804 19340 1834 1 4 . 1 1 66 66 VAL N N 66 116.911 116.911 119.111 -2.200 19340 1835 1 4 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.000 -0.449 19340 1836 1 4 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.325 2.979 19340 1837 1 4 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.096 -0.553 19340 1838 1 4 . 1 1 66 66 VAL H H 66 7.045 7.045 7.262 -0.217 19340 1839 1 4 . 1 1 67 67 GLU N N 67 120.755 120.755 120.012 0.743 19340 1840 1 4 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.111 -0.069 19340 1841 1 4 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.971 -1.562 19340 1842 1 4 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.734 3.201 19340 1843 1 4 . 1 1 67 67 GLU H H 67 8.439 8.439 8.576 -0.137 19340 1844 1 4 . 1 1 68 68 VAL N N 68 119.280 119.280 116.952 2.328 19340 1845 1 4 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.749 -0.394 19340 1846 1 4 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.975 1.458 19340 1847 1 4 . 1 1 68 68 VAL CB C 68 30.652 30.652 30.530 0.122 19340 1848 1 4 . 1 1 68 68 VAL H H 68 8.473 8.473 8.067 0.406 19340 1849 1 4 . 1 1 69 69 LEU N N 69 117.578 117.578 119.362 -1.784 19340 1850 1 4 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.980 -0.022 19340 1851 1 4 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.479 0.878 19340 1852 1 4 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.169 0.929 19340 1853 1 4 . 1 1 69 69 LEU H H 69 7.292 7.292 7.551 -0.259 19340 1854 1 4 . 1 1 70 70 LEU N N 70 118.482 118.482 118.741 -0.259 19340 1855 1 4 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.950 0.031 19340 1856 1 4 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.243 0.131 19340 1857 1 4 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.749 0.432 19340 1858 1 4 . 1 1 70 70 LEU H H 70 8.237 8.237 7.543 0.694 19340 1859 1 4 . 1 1 71 71 GLU N N 71 123.582 123.582 120.065 3.517 19340 1860 1 4 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.957 -0.233 19340 1861 1 4 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.551 1.532 19340 1862 1 4 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.591 7.717 19340 1863 1 4 . 1 1 71 71 GLU H H 71 8.915 8.915 7.783 1.132 19340 1864 1 4 . 1 1 72 72 ALA N N 72 123.321 123.321 122.259 1.062 19340 1865 1 4 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.178 -0.114 19340 1866 1 4 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.050 0.650 19340 1867 1 4 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.570 -0.729 19340 1868 1 4 . 1 1 72 72 ALA H H 72 8.994 8.994 8.261 0.733 19340 1869 1 4 . 1 1 73 73 LEU N N 73 118.574 118.574 119.109 -0.535 19340 1870 1 4 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.023 -0.065 19340 1871 1 4 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.654 0.582 19340 1872 1 4 . 1 1 73 73 LEU CB C 73 42.348 42.348 42.116 0.232 19340 1873 1 4 . 1 1 73 73 LEU H H 73 8.544 8.544 7.592 0.952 19340 1874 1 4 . 1 1 74 74 THR N N 74 115.785 115.785 115.950 -0.165 19340 1875 1 4 . 1 1 74 74 THR HA H 74 3.578 3.578 3.855 -0.277 19340 1876 1 4 . 1 1 74 74 THR CA C 74 68.727 68.727 67.331 1.396 19340 1877 1 4 . 1 1 74 74 THR CB C 74 67.691 67.691 68.532 -0.841 19340 1878 1 4 . 1 1 74 74 THR H H 74 8.137 8.137 8.254 -0.117 19340 1879 1 4 . 1 1 75 75 ALA N N 75 123.543 123.543 122.835 0.708 19340 1880 1 4 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.047 -0.351 19340 1881 1 4 . 1 1 75 75 ALA CA C 75 55.562 55.562 55.098 0.464 19340 1882 1 4 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.288 1.085 19340 1883 1 4 . 1 1 75 75 ALA H H 75 8.585 8.585 7.691 0.894 19340 1884 1 4 . 1 1 76 76 ALA N N 76 118.729 118.729 120.886 -2.157 19340 1885 1 4 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.036 -0.262 19340 1886 1 4 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.365 1.076 19340 1887 1 4 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.657 -0.509 19340 1888 1 4 . 1 1 76 76 ALA H H 76 8.199 8.199 7.217 0.982 19340 1889 1 4 . 1 1 77 77 LEU N N 77 117.321 117.321 119.140 -1.819 19340 1890 1 4 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.842 0.033 19340 1891 1 4 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.705 0.497 19340 1892 1 4 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.774 -1.152 19340 1893 1 4 . 1 1 77 77 LEU H H 77 8.265 8.265 8.763 -0.498 19340 1894 1 4 . 1 1 78 78 GLN N N 78 121.687 121.687 117.965 3.722 19340 1895 1 4 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.068 -0.255 19340 1896 1 4 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.163 0.470 19340 1897 1 4 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.093 4.346 19340 1898 1 4 . 1 1 78 78 GLN H H 78 8.776 8.776 8.051 0.725 19340 1899 1 4 . 1 1 79 79 LEU N N 79 120.042 120.042 120.563 -0.521 19340 1900 1 4 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.189 -0.181 19340 1901 1 4 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.272 0.464 19340 1902 1 4 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.141 0.402 19340 1903 1 4 . 1 1 79 79 LEU H H 79 7.990 7.990 7.333 0.657 19340 1904 1 4 . 1 1 80 80 LEU N N 80 122.157 122.157 120.291 1.866 19340 1905 1 4 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.022 -0.198 19340 1906 1 4 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.357 0.732 19340 1907 1 4 . 1 1 80 80 LEU CB C 80 42.404 42.404 40.133 2.271 19340 1908 1 4 . 1 1 80 80 LEU H H 80 8.454 8.454 8.607 -0.153 19340 1909 1 4 . 1 1 81 81 SER N N 81 114.179 114.179 113.765 0.414 19340 1910 1 4 . 1 1 81 81 SER HA H 81 3.897 3.897 4.247 -0.350 19340 1911 1 4 . 1 1 81 81 SER CA C 81 61.756 61.756 60.405 1.351 19340 1912 1 4 . 1 1 81 81 SER CB C 81 63.486 63.486 62.892 0.594 19340 1913 1 4 . 1 1 81 81 SER H H 81 8.006 8.006 8.300 -0.294 19340 1914 1 4 . 1 1 82 82 SER N N 82 113.392 113.392 114.737 -1.345 19340 1915 1 4 . 1 1 82 82 SER HA H 82 4.718 4.718 4.685 0.033 19340 1916 1 4 . 1 1 82 82 SER CA C 82 57.718 57.718 57.717 0.001 19340 1917 1 4 . 1 1 82 82 SER CB C 82 64.377 64.377 63.700 0.677 19340 1918 1 4 . 1 1 82 82 SER H H 82 7.160 7.160 7.969 -0.809 19340 1919 1 4 . 1 1 83 83 SER N N 83 117.607 117.607 117.907 -0.300 19340 1920 1 4 . 1 1 83 83 SER HA H 83 4.885 4.885 4.712 0.173 19340 1921 1 4 . 1 1 83 83 SER CA C 83 59.263 59.263 57.899 1.364 19340 1922 1 4 . 1 1 83 83 SER CB C 83 65.352 65.352 64.963 0.388 19340 1923 1 4 . 1 1 83 83 SER H H 83 7.369 7.369 7.853 -0.484 19340 1924 1 4 . 1 1 84 84 THR N N 84 117.656 117.656 114.397 3.259 19340 1925 1 4 . 1 1 84 84 THR HA H 84 4.545 4.545 4.431 0.114 19340 1926 1 4 . 1 1 84 84 THR CA C 84 62.006 62.006 62.225 -0.219 19340 1927 1 4 . 1 1 84 84 THR CB C 84 69.724 69.724 69.284 0.440 19340 1928 1 4 . 1 1 84 84 THR H H 84 8.488 8.488 8.276 0.212 19340 1929 1 4 . 1 1 85 85 LEU N N 85 130.429 130.429 119.675 10.754 19340 1930 1 4 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.109 0.179 19340 1931 1 4 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.258 1.036 19340 1932 1 4 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.420 1.970 19340 1933 1 4 . 1 1 85 85 LEU H H 85 8.878 8.878 7.693 1.185 19340 1934 1 4 . 1 1 86 86 GLY N N 86 112.150 112.150 107.205 4.945 19340 1935 1 4 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.602 -1.800 19340 1936 1 4 . 1 1 86 86 GLY H H 86 7.901 7.901 8.891 -0.990 19340 1937 1 4 . 1 1 87 87 ALA N N 87 122.559 122.559 122.420 0.139 19340 1938 1 4 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.484 -0.200 19340 1939 1 4 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.112 -0.157 19340 1940 1 4 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.709 -0.364 19340 1941 1 4 . 1 1 87 87 ALA H H 87 8.113 8.113 7.597 0.516 19340 1942 1 4 . 1 1 88 88 VAL N N 88 122.375 122.375 117.897 4.478 19340 1943 1 4 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.281 -0.474 19340 1944 1 4 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.677 0.287 19340 1945 1 4 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.798 -0.169 19340 1946 1 4 . 1 1 88 88 VAL H H 88 8.447 8.447 8.320 0.127 19340 1947 1 4 . 1 1 89 89 ASP N N 89 127.408 127.408 119.441 7.967 19340 1948 1 4 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.479 0.379 19340 1949 1 4 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.752 -2.150 19340 1950 1 4 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.794 1.023 19340 1951 1 4 . 1 1 89 89 ASP H H 89 8.570 8.570 8.446 0.124 19340 1952 1 4 . 1 1 90 90 THR N N 90 116.481 116.481 109.857 6.624 19340 1953 1 4 . 1 1 90 90 THR HA H 90 3.953 3.953 4.104 -0.151 19340 1954 1 4 . 1 1 90 90 THR CA C 90 63.879 63.879 64.165 -0.286 19340 1955 1 4 . 1 1 90 90 THR CB C 90 68.833 68.833 69.073 -0.240 19340 1956 1 4 . 1 1 90 90 THR H H 90 8.539 8.539 8.310 0.229 19340 1957 1 4 . 1 1 91 91 THR N N 91 114.681 114.681 115.763 -1.082 19340 1958 1 4 . 1 1 91 91 THR HA H 91 4.182 4.182 4.285 -0.103 19340 1959 1 4 . 1 1 91 91 THR CA C 91 64.750 64.750 64.146 0.604 19340 1960 1 4 . 1 1 91 91 THR CB C 91 69.055 69.055 68.695 0.360 19340 1961 1 4 . 1 1 91 91 THR H H 91 8.335 8.335 7.952 0.383 19340 1962 1 4 . 1 1 92 92 SER N N 92 114.236 114.236 116.756 -2.520 19340 1963 1 4 . 1 1 92 92 SER HA H 92 4.668 4.668 4.647 0.021 19340 1964 1 4 . 1 1 92 92 SER CA C 92 58.460 58.460 58.364 0.096 19340 1965 1 4 . 1 1 92 92 SER CB C 92 64.433 64.433 63.608 0.826 19340 1966 1 4 . 1 1 92 92 SER H H 92 7.642 7.642 7.618 0.024 19340 1967 1 4 . 1 1 93 93 ILE N N 93 122.128 122.128 123.193 -1.065 19340 1968 1 4 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.762 0.051 19340 1969 1 4 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.234 -0.103 19340 1970 1 4 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.277 0.922 19340 1971 1 4 . 1 1 93 93 ILE H H 93 7.276 7.276 7.189 0.087 19340 1972 1 4 . 1 1 94 94 GLY N N 94 108.426 108.426 107.211 1.215 19340 1973 1 4 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.184 -0.184 19340 1974 1 4 . 1 1 94 94 GLY H H 94 8.756 8.756 8.680 0.076 19340 1975 1 4 . 1 1 95 95 LEU N N 95 123.674 123.674 122.695 0.979 19340 1976 1 4 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.148 0.134 19340 1977 1 4 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.690 0.339 19340 1978 1 4 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.588 -0.326 19340 1979 1 4 . 1 1 95 95 LEU H H 95 7.568 7.568 7.567 0.001 19340 1980 1 4 . 1 1 96 96 THR N N 96 119.717 119.717 116.177 3.540 19340 1981 1 4 . 1 1 96 96 THR HA H 96 3.837 3.837 3.881 -0.044 19340 1982 1 4 . 1 1 96 96 THR CA C 96 66.683 66.683 67.574 -0.891 19340 1983 1 4 . 1 1 96 96 THR CB C 96 67.969 67.969 68.484 -0.515 19340 1984 1 4 . 1 1 96 96 THR H H 96 8.430 8.430 8.506 -0.076 19340 1985 1 4 . 1 1 97 97 SER N N 97 117.285 117.285 116.476 0.809 19340 1986 1 4 . 1 1 97 97 SER HA H 97 4.094 4.094 4.127 -0.033 19340 1987 1 4 . 1 1 97 97 SER CA C 97 62.507 62.507 61.258 1.249 19340 1988 1 4 . 1 1 97 97 SER CB C 97 62.845 62.845 63.180 -0.335 19340 1989 1 4 . 1 1 97 97 SER H H 97 9.000 9.000 8.783 0.217 19340 1990 1 4 . 1 1 98 98 ASN N N 98 121.846 121.846 119.625 2.221 19340 1991 1 4 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.633 -0.245 19340 1992 1 4 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.543 1.339 19340 1993 1 4 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.675 0.159 19340 1994 1 4 . 1 1 98 98 ASN H H 98 7.939 7.939 7.747 0.192 19340 1995 1 4 . 1 1 99 99 SER N N 99 117.585 117.585 117.189 0.396 19340 1996 1 4 . 1 1 99 99 SER HA H 99 4.204 4.204 4.266 -0.062 19340 1997 1 4 . 1 1 99 99 SER CA C 99 62.886 62.886 62.777 0.109 19340 1998 1 4 . 1 1 99 99 SER CB C 99 62.984 62.984 63.428 -0.444 19340 1999 1 4 . 1 1 99 99 SER H H 99 8.370 8.370 8.137 0.233 19340 2000 1 4 . 1 1 100 100 VAL N N 100 121.524 121.524 119.236 2.288 19340 2001 1 4 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.870 -0.319 19340 2002 1 4 . 1 1 100 100 VAL CA C 100 67.951 67.951 67.081 0.870 19340 2003 1 4 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.464 0.190 19340 2004 1 4 . 1 1 100 100 VAL H H 100 8.565 8.565 8.519 0.046 19340 2005 1 4 . 1 1 101 101 SER N N 101 113.005 113.005 115.832 -2.827 19340 2006 1 4 . 1 1 101 101 SER HA H 101 3.875 3.875 4.132 -0.257 19340 2007 1 4 . 1 1 101 101 SER CA C 101 62.326 62.326 61.854 0.472 19340 2008 1 4 . 1 1 101 101 SER CB C 101 63.263 63.263 62.804 0.459 19340 2009 1 4 . 1 1 101 101 SER H H 101 8.272 8.272 7.787 0.485 19340 2010 1 4 . 1 1 102 102 LYS N N 102 119.357 119.357 121.423 -2.066 19340 2011 1 4 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.110 -0.090 19340 2012 1 4 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.060 0.539 19340 2013 1 4 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.431 0.713 19340 2014 1 4 . 1 1 102 102 LYS H H 102 7.953 7.953 7.703 0.250 19340 2015 1 4 . 1 1 103 103 ALA N N 103 120.882 120.882 122.776 -1.894 19340 2016 1 4 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.988 0.255 19340 2017 1 4 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.883 -0.296 19340 2018 1 4 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.266 2.360 19340 2019 1 4 . 1 1 103 103 ALA H H 103 8.049 8.049 8.279 -0.230 19340 2020 1 4 . 1 1 104 104 VAL N N 104 116.191 116.191 118.689 -2.498 19340 2021 1 4 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.369 -0.120 19340 2022 1 4 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.757 0.357 19340 2023 1 4 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.783 -0.769 19340 2024 1 4 . 1 1 104 104 VAL H H 104 8.572 8.572 8.110 0.462 19340 2025 1 4 . 1 1 105 105 ALA N N 105 121.884 121.884 120.485 1.399 19340 2026 1 4 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.215 -0.324 19340 2027 1 4 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.395 0.909 19340 2028 1 4 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.347 0.135 19340 2029 1 4 . 1 1 105 105 ALA H H 105 8.347 8.347 7.742 0.605 19340 2030 1 4 . 1 1 106 106 GLN N N 106 113.657 113.657 118.467 -4.810 19340 2031 1 4 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.120 -0.089 19340 2032 1 4 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.282 0.065 19340 2033 1 4 . 1 1 106 106 GLN CB C 106 35.247 35.247 28.916 6.331 19340 2034 1 4 . 1 1 106 106 GLN H H 106 7.838 7.838 7.825 0.013 19340 2035 1 4 . 1 1 107 107 ALA N N 107 117.818 117.818 120.917 -3.099 19340 2036 1 4 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.337 -0.083 19340 2037 1 4 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.854 0.301 19340 2038 1 4 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.971 3.187 19340 2039 1 4 . 1 1 107 107 ALA H H 107 8.145 8.145 7.724 0.421 19340 2040 1 4 . 1 1 108 108 LEU N N 108 113.428 113.428 118.538 -5.110 19340 2041 1 4 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.214 0.208 19340 2042 1 4 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.959 -1.554 19340 2043 1 4 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.373 0.282 19340 2044 1 4 . 1 1 108 108 LEU H H 108 8.341 8.341 7.995 0.346 19340 2045 1 5 . 1 1 2 2 SER N N 2 117.112 117.112 116.418 0.694 19340 2046 1 5 . 1 1 2 2 SER HA H 2 4.500 4.500 4.221 0.279 19340 2047 1 5 . 1 1 2 2 SER CA C 2 58.547 58.547 57.903 0.644 19340 2048 1 5 . 1 1 2 2 SER CB C 2 63.820 63.820 64.176 -0.356 19340 2049 1 5 . 1 1 2 2 SER H H 2 8.748 8.748 8.118 0.630 19340 2050 1 5 . 1 1 3 3 PHE N N 3 123.783 123.783 122.060 1.723 19340 2051 1 5 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.502 -0.281 19340 2052 1 5 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.053 2.038 19340 2053 1 5 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.805 0.062 19340 2054 1 5 . 1 1 3 3 PHE H H 3 8.398 8.398 8.812 -0.414 19340 2055 1 5 . 1 1 4 4 GLY N N 4 106.435 106.435 107.801 -1.366 19340 2056 1 5 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.805 0.414 19340 2057 1 5 . 1 1 4 4 GLY H H 4 8.699 8.699 8.423 0.276 19340 2058 1 5 . 1 1 5 5 LEU N N 5 121.041 121.041 119.217 1.824 19340 2059 1 5 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.291 -0.160 19340 2060 1 5 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.473 0.133 19340 2061 1 5 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.645 0.146 19340 2062 1 5 . 1 1 5 5 LEU H H 5 7.590 7.590 7.346 0.244 19340 2063 1 5 . 1 1 6 6 VAL N N 6 118.980 118.980 115.227 3.753 19340 2064 1 5 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.896 -0.195 19340 2065 1 5 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.067 0.701 19340 2066 1 5 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.332 0.991 19340 2067 1 5 . 1 1 6 6 VAL H H 6 7.630 7.630 7.557 0.073 19340 2068 1 5 . 1 1 7 7 LEU N N 7 120.127 120.127 117.482 2.645 19340 2069 1 5 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.212 0.048 19340 2070 1 5 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.406 0.665 19340 2071 1 5 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.369 0.422 19340 2072 1 5 . 1 1 7 7 LEU H H 7 8.171 8.171 7.488 0.683 19340 2073 1 5 . 1 1 8 8 ASN N N 8 114.592 114.592 115.345 -0.753 19340 2074 1 5 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.774 0.050 19340 2075 1 5 . 1 1 8 8 ASN CA C 8 52.723 52.723 52.807 -0.084 19340 2076 1 5 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.498 -0.157 19340 2077 1 5 . 1 1 8 8 ASN H H 8 7.602 7.602 7.568 0.034 19340 2078 1 5 . 1 1 9 9 SER N N 9 116.029 116.029 116.791 -0.762 19340 2079 1 5 . 1 1 9 9 SER HA H 9 4.690 4.690 4.609 0.081 19340 2080 1 5 . 1 1 9 9 SER CA C 9 56.675 56.675 57.114 -0.439 19340 2081 1 5 . 1 1 9 9 SER CB C 9 64.210 64.210 63.611 0.599 19340 2082 1 5 . 1 1 9 9 SER H H 9 7.186 7.186 7.734 -0.548 19340 2083 1 5 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.455 -0.016 19340 2084 1 5 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.465 0.242 19340 2085 1 5 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.062 -0.018 19340 2086 1 5 . 1 1 11 11 ASN N N 11 114.702 114.702 113.778 0.924 19340 2087 1 5 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.843 0.216 19340 2088 1 5 . 1 1 11 11 ASN CA C 11 52.766 52.766 52.003 0.763 19340 2089 1 5 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.095 2.192 19340 2090 1 5 . 1 1 11 11 ASN H H 11 8.150 8.150 7.953 0.197 19340 2091 1 5 . 1 1 12 12 GLY N N 12 122.938 122.938 109.024 13.914 19340 2092 1 5 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.158 -1.037 19340 2093 1 5 . 1 1 12 12 GLY H H 12 7.324 7.324 7.658 -0.334 19340 2094 1 5 . 1 1 13 13 LEU N N 13 124.662 124.662 119.978 4.684 19340 2095 1 5 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.423 -0.694 19340 2096 1 5 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.493 2.527 19340 2097 1 5 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.050 1.635 19340 2098 1 5 . 1 1 13 13 LEU H H 13 9.253 9.253 8.397 0.856 19340 2099 1 5 . 1 1 14 14 ARG N N 14 113.071 113.071 118.826 -5.755 19340 2100 1 5 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.177 0.111 19340 2101 1 5 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.032 -0.642 19340 2102 1 5 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.299 -0.260 19340 2103 1 5 . 1 1 14 14 ARG H H 14 8.168 8.168 8.226 -0.058 19340 2104 1 5 . 1 1 15 15 SER N N 15 118.055 118.055 113.531 4.524 19340 2105 1 5 . 1 1 15 15 SER HA H 15 4.690 4.690 4.667 0.023 19340 2106 1 5 . 1 1 15 15 SER CA C 15 57.520 57.520 57.313 0.207 19340 2107 1 5 . 1 1 15 15 SER CB C 15 65.463 65.463 64.272 1.191 19340 2108 1 5 . 1 1 15 15 SER H H 15 8.264 8.264 7.703 0.561 19340 2109 1 5 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.314 0.063 19340 2110 1 5 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.960 0.394 19340 2111 1 5 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.941 -0.175 19340 2112 1 5 . 1 1 17 17 GLN N N 17 117.374 117.374 117.523 -0.149 19340 2113 1 5 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.072 0.043 19340 2114 1 5 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.734 0.537 19340 2115 1 5 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.274 0.620 19340 2116 1 5 . 1 1 17 17 GLN H H 17 8.661 8.661 8.768 -0.107 19340 2117 1 5 . 1 1 18 18 ALA N N 18 122.904 122.904 122.873 0.031 19340 2118 1 5 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.055 -0.186 19340 2119 1 5 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.804 0.585 19340 2120 1 5 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.297 1.020 19340 2121 1 5 . 1 1 18 18 ALA H H 18 7.785 7.785 7.568 0.217 19340 2122 1 5 . 1 1 19 19 LYS N N 19 116.947 116.947 119.190 -2.243 19340 2123 1 5 . 1 1 19 19 LYS HA H 19 3.752 3.752 3.995 -0.243 19340 2124 1 5 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.319 1.411 19340 2125 1 5 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.208 -0.609 19340 2126 1 5 . 1 1 19 19 LYS H H 19 7.410 7.410 7.502 -0.092 19340 2127 1 5 . 1 1 20 20 ALA N N 20 119.887 119.887 121.895 -2.008 19340 2128 1 5 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.019 0.152 19340 2129 1 5 . 1 1 20 20 ALA CA C 20 55.009 55.009 54.984 0.025 19340 2130 1 5 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.494 -0.207 19340 2131 1 5 . 1 1 20 20 ALA H H 20 7.362 7.362 7.499 -0.137 19340 2132 1 5 . 1 1 21 21 ARG N N 21 118.182 118.182 118.765 -0.583 19340 2133 1 5 . 1 1 21 21 ARG HA H 21 4.048 4.048 3.990 0.058 19340 2134 1 5 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.254 1.338 19340 2135 1 5 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.240 1.776 19340 2136 1 5 . 1 1 21 21 ARG H H 21 7.502 7.502 7.534 -0.032 19340 2137 1 5 . 1 1 22 22 ILE N N 22 122.484 122.484 119.753 2.731 19340 2138 1 5 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.677 -0.132 19340 2139 1 5 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.186 0.824 19340 2140 1 5 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.508 0.496 19340 2141 1 5 . 1 1 22 22 ILE H H 22 9.258 9.258 8.212 1.046 19340 2142 1 5 . 1 1 23 23 ASN N N 23 119.721 119.721 119.089 0.632 19340 2143 1 5 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.323 -0.046 19340 2144 1 5 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.752 0.406 19340 2145 1 5 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.375 0.576 19340 2146 1 5 . 1 1 23 23 ASN H H 23 8.395 8.395 7.890 0.505 19340 2147 1 5 . 1 1 24 24 ASN N N 24 117.554 117.554 118.318 -0.764 19340 2148 1 5 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.467 0.028 19340 2149 1 5 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.806 0.653 19340 2150 1 5 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.179 -0.225 19340 2151 1 5 . 1 1 24 24 ASN H H 24 8.002 8.002 7.668 0.334 19340 2152 1 5 . 1 1 25 25 LEU N N 25 123.367 123.367 121.938 1.429 19340 2153 1 5 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.042 0.112 19340 2154 1 5 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.377 -0.460 19340 2155 1 5 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.853 1.080 19340 2156 1 5 . 1 1 25 25 LEU H H 25 8.235 8.235 7.559 0.676 19340 2157 1 5 . 1 1 26 26 ALA N N 26 123.137 123.137 119.895 3.242 19340 2158 1 5 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.058 -0.189 19340 2159 1 5 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.796 0.912 19340 2160 1 5 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.151 -1.201 19340 2161 1 5 . 1 1 26 26 ALA H H 26 9.068 9.068 8.427 0.641 19340 2162 1 5 . 1 1 27 27 SER N N 27 113.809 113.809 114.102 -0.293 19340 2163 1 5 . 1 1 27 27 SER HA H 27 4.182 4.182 4.423 -0.241 19340 2164 1 5 . 1 1 27 27 SER CA C 27 62.075 62.075 60.085 1.990 19340 2165 1 5 . 1 1 27 27 SER CB C 27 62.929 62.929 63.884 -0.955 19340 2166 1 5 . 1 1 27 27 SER H H 27 8.004 8.004 7.407 0.597 19340 2167 1 5 . 1 1 28 28 ALA N N 28 124.782 124.782 125.747 -0.965 19340 2168 1 5 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.135 0.069 19340 2169 1 5 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.145 0.115 19340 2170 1 5 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.341 -0.639 19340 2171 1 5 . 1 1 28 28 ALA H H 28 7.970 7.970 7.831 0.139 19340 2172 1 5 . 1 1 29 29 LEU N N 29 117.907 117.907 117.356 0.551 19340 2173 1 5 . 1 1 29 29 LEU HA H 29 3.824 3.824 4.015 -0.191 19340 2174 1 5 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.093 -0.098 19340 2175 1 5 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.432 1.094 19340 2176 1 5 . 1 1 29 29 LEU H H 29 8.960 8.960 8.819 0.141 19340 2177 1 5 . 1 1 30 30 SER N N 30 112.859 112.859 113.290 -0.431 19340 2178 1 5 . 1 1 30 30 SER HA H 30 4.076 4.076 4.121 -0.045 19340 2179 1 5 . 1 1 30 30 SER CA C 30 61.998 61.998 61.192 0.806 19340 2180 1 5 . 1 1 30 30 SER CB C 30 63.012 63.012 63.076 -0.064 19340 2181 1 5 . 1 1 30 30 SER H H 30 7.951 7.951 8.004 -0.053 19340 2182 1 5 . 1 1 31 31 THR N N 31 109.820 109.820 114.509 -4.689 19340 2183 1 5 . 1 1 31 31 THR HA H 31 4.472 4.472 4.273 0.199 19340 2184 1 5 . 1 1 31 31 THR CA C 31 62.731 62.731 64.181 -1.450 19340 2185 1 5 . 1 1 31 31 THR CB C 31 69.362 69.362 69.270 0.092 19340 2186 1 5 . 1 1 31 31 THR H H 31 7.164 7.164 7.656 -0.492 19340 2187 1 5 . 1 1 32 32 ALA N N 32 122.926 122.926 123.183 -0.257 19340 2188 1 5 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.341 0.086 19340 2189 1 5 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.627 -0.542 19340 2190 1 5 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.605 1.021 19340 2191 1 5 . 1 1 32 32 ALA H H 32 7.997 7.997 7.727 0.270 19340 2192 1 5 . 1 1 33 33 VAL N N 33 116.339 116.339 118.166 -1.827 19340 2193 1 5 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.184 0.277 19340 2194 1 5 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.061 -1.460 19340 2195 1 5 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.849 0.780 19340 2196 1 5 . 1 1 33 33 VAL H H 33 7.550 7.550 8.129 -0.579 19340 2197 1 5 . 1 1 34 34 GLY N N 34 113.114 113.114 114.052 -0.938 19340 2198 1 5 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.909 -0.640 19340 2199 1 5 . 1 1 34 34 GLY H H 34 7.886 7.886 8.577 -0.691 19340 2200 1 5 . 1 1 35 35 ARG N N 35 120.709 120.709 120.324 0.385 19340 2201 1 5 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.327 0.056 19340 2202 1 5 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.087 0.813 19340 2203 1 5 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.713 0.159 19340 2204 1 5 . 1 1 35 35 ARG H H 35 8.773 8.773 8.498 0.275 19340 2205 1 5 . 1 1 36 36 ASN N N 36 114.578 114.578 116.709 -2.131 19340 2206 1 5 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.728 0.096 19340 2207 1 5 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.329 0.765 19340 2208 1 5 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.338 0.279 19340 2209 1 5 . 1 1 36 36 ASN H H 36 8.628 8.628 8.024 0.604 19340 2210 1 5 . 1 1 37 37 GLY N N 37 108.462 108.462 109.916 -1.454 19340 2211 1 5 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.751 -1.034 19340 2212 1 5 . 1 1 37 37 GLY H H 37 7.880 7.880 7.990 -0.110 19340 2213 1 5 . 1 1 38 38 VAL N N 38 121.761 121.761 120.487 1.274 19340 2214 1 5 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.309 0.068 19340 2215 1 5 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.563 -0.497 19340 2216 1 5 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.164 -0.393 19340 2217 1 5 . 1 1 38 38 VAL H H 38 8.565 8.565 7.684 0.881 19340 2218 1 5 . 1 1 39 39 ASP N N 39 127.585 127.585 128.243 -0.658 19340 2219 1 5 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.852 -0.201 19340 2220 1 5 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.189 0.656 19340 2221 1 5 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.944 0.485 19340 2222 1 5 . 1 1 39 39 ASP H H 39 9.007 9.007 8.578 0.429 19340 2223 1 5 . 1 1 40 40 VAL N N 40 129.021 129.021 125.951 3.070 19340 2224 1 5 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.723 -0.228 19340 2225 1 5 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.706 1.693 19340 2226 1 5 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.651 0.700 19340 2227 1 5 . 1 1 40 40 VAL H H 40 8.632 8.632 8.367 0.265 19340 2228 1 5 . 1 1 41 41 ASN N N 41 122.301 122.301 117.819 4.482 19340 2229 1 5 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.397 0.053 19340 2230 1 5 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.561 0.450 19340 2231 1 5 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.149 -0.312 19340 2232 1 5 . 1 1 41 41 ASN H H 41 8.673 8.673 8.505 0.168 19340 2233 1 5 . 1 1 42 42 ALA N N 42 124.313 124.313 122.436 1.877 19340 2234 1 5 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.205 -0.007 19340 2235 1 5 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.584 0.287 19340 2236 1 5 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.527 0.149 19340 2237 1 5 . 1 1 42 42 ALA H H 42 8.420 8.420 7.643 0.777 19340 2238 1 5 . 1 1 43 43 PHE N N 43 119.198 119.198 119.440 -0.242 19340 2239 1 5 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.146 0.337 19340 2240 1 5 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.559 -3.392 19340 2241 1 5 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.155 0.019 19340 2242 1 5 . 1 1 43 43 PHE H H 43 8.611 8.611 8.803 -0.192 19340 2243 1 5 . 1 1 44 44 THR N N 44 116.700 116.700 114.311 2.389 19340 2244 1 5 . 1 1 44 44 THR HA H 44 4.349 4.349 4.084 0.265 19340 2245 1 5 . 1 1 44 44 THR CA C 44 68.443 68.443 65.908 2.535 19340 2246 1 5 . 1 1 44 44 THR CB C 44 68.248 68.248 68.526 -0.278 19340 2247 1 5 . 1 1 44 44 THR H H 44 8.881 8.881 8.909 -0.028 19340 2248 1 5 . 1 1 45 45 SER N N 45 116.018 116.018 116.287 -0.269 19340 2249 1 5 . 1 1 45 45 SER HA H 45 4.117 4.117 4.213 -0.096 19340 2250 1 5 . 1 1 45 45 SER CA C 45 62.507 62.507 62.236 0.271 19340 2251 1 5 . 1 1 45 45 SER CB C 45 62.706 62.706 63.002 -0.296 19340 2252 1 5 . 1 1 45 45 SER H H 45 8.020 8.020 7.763 0.257 19340 2253 1 5 . 1 1 46 46 GLY N N 46 108.460 108.460 109.107 -0.647 19340 2254 1 5 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.637 0.469 19340 2255 1 5 . 1 1 46 46 GLY H H 46 7.871 7.871 7.457 0.414 19340 2256 1 5 . 1 1 47 47 LEU N N 47 123.148 123.148 123.083 0.065 19340 2257 1 5 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.997 -0.167 19340 2258 1 5 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.201 1.139 19340 2259 1 5 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.437 0.995 19340 2260 1 5 . 1 1 47 47 LEU H H 47 8.221 8.221 7.427 0.794 19340 2261 1 5 . 1 1 48 48 ARG N N 48 118.694 118.694 119.153 -0.459 19340 2262 1 5 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.967 -0.120 19340 2263 1 5 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.996 0.242 19340 2264 1 5 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.756 0.589 19340 2265 1 5 . 1 1 48 48 ARG H H 48 8.646 8.646 8.161 0.485 19340 2266 1 5 . 1 1 49 49 ALA N N 49 122.114 122.114 120.136 1.978 19340 2267 1 5 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.285 -0.126 19340 2268 1 5 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.848 0.360 19340 2269 1 5 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.163 -0.071 19340 2270 1 5 . 1 1 49 49 ALA H H 49 8.078 8.078 7.559 0.519 19340 2271 1 5 . 1 1 50 50 THR N N 50 115.708 115.708 116.938 -1.230 19340 2272 1 5 . 1 1 50 50 THR HA H 50 3.696 3.696 3.974 -0.278 19340 2273 1 5 . 1 1 50 50 THR CA C 50 67.692 67.692 67.789 -0.097 19340 2274 1 5 . 1 1 50 50 THR CB C 50 68.599 68.599 68.706 -0.107 19340 2275 1 5 . 1 1 50 50 THR H H 50 7.577 7.577 7.887 -0.310 19340 2276 1 5 . 1 1 51 51 LEU N N 51 121.108 121.108 122.646 -1.538 19340 2277 1 5 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.077 -0.286 19340 2278 1 5 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.848 0.405 19340 2279 1 5 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.969 1.017 19340 2280 1 5 . 1 1 51 51 LEU H H 51 8.014 8.014 8.694 -0.680 19340 2281 1 5 . 1 1 52 52 SER N N 52 115.122 115.122 114.147 0.975 19340 2282 1 5 . 1 1 52 52 SER HA H 52 4.154 4.154 4.112 0.042 19340 2283 1 5 . 1 1 52 52 SER CA C 52 61.765 61.765 61.428 0.337 19340 2284 1 5 . 1 1 52 52 SER CB C 52 62.901 62.901 62.870 0.031 19340 2285 1 5 . 1 1 52 52 SER H H 52 8.442 8.442 7.880 0.562 19340 2286 1 5 . 1 1 53 53 ASN N N 53 119.438 119.438 119.631 -0.193 19340 2287 1 5 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.521 0.119 19340 2288 1 5 . 1 1 53 53 ASN CA C 53 55.993 55.993 55.952 0.041 19340 2289 1 5 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.688 0.820 19340 2290 1 5 . 1 1 53 53 ASN H H 53 7.705 7.705 8.000 -0.295 19340 2291 1 5 . 1 1 54 54 LEU N N 54 120.042 120.042 120.355 -0.313 19340 2292 1 5 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.279 -0.086 19340 2293 1 5 . 1 1 54 54 LEU CA C 54 57.115 57.115 56.986 0.129 19340 2294 1 5 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.994 0.995 19340 2295 1 5 . 1 1 54 54 LEU H H 54 7.811 7.811 8.582 -0.771 19340 2296 1 5 . 1 1 55 55 GLY N N 55 109.450 109.450 106.223 3.227 19340 2297 1 5 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.400 1.276 19340 2298 1 5 . 1 1 55 55 GLY H H 55 8.074 8.074 8.057 0.017 19340 2299 1 5 . 1 1 56 56 ASP N N 56 121.016 121.016 117.962 3.054 19340 2300 1 5 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.834 -0.077 19340 2301 1 5 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.324 1.487 19340 2302 1 5 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.115 -0.577 19340 2303 1 5 . 1 1 56 56 ASP H H 56 8.144 8.144 7.388 0.756 19340 2304 1 5 . 1 1 57 57 SER N N 57 113.978 113.978 114.907 -0.929 19340 2305 1 5 . 1 1 57 57 SER HA H 57 4.305 4.305 4.404 -0.099 19340 2306 1 5 . 1 1 57 57 SER CA C 57 60.031 60.031 59.726 0.305 19340 2307 1 5 . 1 1 57 57 SER CB C 57 65.212 65.212 64.183 1.029 19340 2308 1 5 . 1 1 57 57 SER H H 57 7.742 7.742 7.799 -0.057 19340 2309 1 5 . 1 1 58 58 GLY N N 58 110.315 110.315 107.683 2.632 19340 2310 1 5 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.926 0.764 19340 2311 1 5 . 1 1 58 58 GLY H H 58 8.306 8.306 7.950 0.356 19340 2312 1 5 . 1 1 59 59 MET N N 59 120.024 120.024 117.025 2.999 19340 2313 1 5 . 1 1 59 59 MET HA H 59 4.416 4.416 4.845 -0.429 19340 2314 1 5 . 1 1 59 59 MET CA C 59 56.597 56.597 54.436 2.161 19340 2315 1 5 . 1 1 59 59 MET CB C 59 34.328 34.328 34.247 0.081 19340 2316 1 5 . 1 1 59 59 MET H H 59 7.686 7.686 7.297 0.389 19340 2317 1 5 . 1 1 60 60 SER N N 60 122.795 122.795 114.212 8.583 19340 2318 1 5 . 1 1 60 60 SER HA H 60 4.601 4.601 4.800 -0.199 19340 2319 1 5 . 1 1 60 60 SER CA C 60 57.598 57.598 54.966 2.632 19340 2320 1 5 . 1 1 60 60 SER CB C 60 62.511 62.511 65.127 -2.616 19340 2321 1 5 . 1 1 60 60 SER H H 60 9.088 9.088 8.284 0.804 19340 2322 1 5 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.549 -0.334 19340 2323 1 5 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.313 2.309 19340 2324 1 5 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.911 0.050 19340 2325 1 5 . 1 1 62 62 ASN N N 62 113.170 113.170 117.025 -3.855 19340 2326 1 5 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.804 -0.427 19340 2327 1 5 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.158 1.258 19340 2328 1 5 . 1 1 62 62 ASN CB C 62 38.004 38.004 40.291 -2.288 19340 2329 1 5 . 1 1 62 62 ASN H H 62 8.389 8.389 8.453 -0.064 19340 2330 1 5 . 1 1 63 63 GLU N N 63 120.222 120.222 121.018 -0.796 19340 2331 1 5 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.065 -0.313 19340 2332 1 5 . 1 1 63 63 GLU CA C 63 59.668 59.668 59.159 0.509 19340 2333 1 5 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.560 8.277 19340 2334 1 5 . 1 1 63 63 GLU H H 63 7.428 7.428 7.628 -0.200 19340 2335 1 5 . 1 1 64 64 ALA N N 64 120.568 120.568 122.036 -1.468 19340 2336 1 5 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.050 0.026 19340 2337 1 5 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.467 -0.647 19340 2338 1 5 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.604 -0.262 19340 2339 1 5 . 1 1 64 64 ALA H H 64 8.640 8.640 7.868 0.772 19340 2340 1 5 . 1 1 65 65 LYS N N 65 115.104 115.104 116.582 -1.478 19340 2341 1 5 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.021 -0.398 19340 2342 1 5 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.171 1.705 19340 2343 1 5 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.188 0.664 19340 2344 1 5 . 1 1 65 65 LYS H H 65 7.472 7.472 8.265 -0.793 19340 2345 1 5 . 1 1 66 66 VAL N N 66 116.911 116.911 119.259 -2.348 19340 2346 1 5 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.998 -0.447 19340 2347 1 5 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.392 2.912 19340 2348 1 5 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.045 -0.502 19340 2349 1 5 . 1 1 66 66 VAL H H 66 7.045 7.045 7.304 -0.259 19340 2350 1 5 . 1 1 67 67 GLU N N 67 120.755 120.755 119.873 0.882 19340 2351 1 5 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.132 -0.090 19340 2352 1 5 . 1 1 67 67 GLU CA C 67 58.409 58.409 60.043 -1.634 19340 2353 1 5 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.852 3.083 19340 2354 1 5 . 1 1 67 67 GLU H H 67 8.439 8.439 8.574 -0.135 19340 2355 1 5 . 1 1 68 68 VAL N N 68 119.280 119.280 116.405 2.875 19340 2356 1 5 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.728 -0.373 19340 2357 1 5 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.215 1.218 19340 2358 1 5 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.358 -0.706 19340 2359 1 5 . 1 1 68 68 VAL H H 68 8.473 8.473 8.015 0.458 19340 2360 1 5 . 1 1 69 69 LEU N N 69 117.578 117.578 118.742 -1.164 19340 2361 1 5 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.019 -0.061 19340 2362 1 5 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.491 0.866 19340 2363 1 5 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.393 0.705 19340 2364 1 5 . 1 1 69 69 LEU H H 69 7.292 7.292 7.627 -0.335 19340 2365 1 5 . 1 1 70 70 LEU N N 70 118.482 118.482 118.762 -0.280 19340 2366 1 5 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.954 0.027 19340 2367 1 5 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.147 0.227 19340 2368 1 5 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.775 0.406 19340 2369 1 5 . 1 1 70 70 LEU H H 70 8.237 8.237 7.542 0.695 19340 2370 1 5 . 1 1 71 71 GLU N N 71 123.582 123.582 120.099 3.483 19340 2371 1 5 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.953 -0.229 19340 2372 1 5 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.304 1.779 19340 2373 1 5 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.423 7.885 19340 2374 1 5 . 1 1 71 71 GLU H H 71 8.915 8.915 7.755 1.160 19340 2375 1 5 . 1 1 72 72 ALA N N 72 123.321 123.321 122.324 0.997 19340 2376 1 5 . 1 1 72 72 ALA HA H 72 4.064 4.064 3.982 0.082 19340 2377 1 5 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.159 0.541 19340 2378 1 5 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.219 -0.378 19340 2379 1 5 . 1 1 72 72 ALA H H 72 8.994 8.994 7.955 1.039 19340 2380 1 5 . 1 1 73 73 LEU N N 73 118.574 118.574 118.863 -0.289 19340 2381 1 5 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.037 -0.079 19340 2382 1 5 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.500 0.736 19340 2383 1 5 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.952 0.396 19340 2384 1 5 . 1 1 73 73 LEU H H 73 8.544 8.544 7.391 1.153 19340 2385 1 5 . 1 1 74 74 THR N N 74 115.785 115.785 115.893 -0.108 19340 2386 1 5 . 1 1 74 74 THR HA H 74 3.578 3.578 3.852 -0.274 19340 2387 1 5 . 1 1 74 74 THR CA C 74 68.727 68.727 67.316 1.411 19340 2388 1 5 . 1 1 74 74 THR CB C 74 67.691 67.691 68.495 -0.804 19340 2389 1 5 . 1 1 74 74 THR H H 74 8.137 8.137 8.030 0.107 19340 2390 1 5 . 1 1 75 75 ALA N N 75 123.543 123.543 123.234 0.309 19340 2391 1 5 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.339 -0.643 19340 2392 1 5 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.891 0.671 19340 2393 1 5 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.439 0.934 19340 2394 1 5 . 1 1 75 75 ALA H H 75 8.585 8.585 7.620 0.965 19340 2395 1 5 . 1 1 76 76 ALA N N 76 118.729 118.729 120.827 -2.098 19340 2396 1 5 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.051 -0.277 19340 2397 1 5 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.396 1.045 19340 2398 1 5 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.630 -0.482 19340 2399 1 5 . 1 1 76 76 ALA H H 76 8.199 8.199 7.252 0.947 19340 2400 1 5 . 1 1 77 77 LEU N N 77 117.321 117.321 119.473 -2.152 19340 2401 1 5 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.821 0.054 19340 2402 1 5 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.930 0.272 19340 2403 1 5 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.713 -1.091 19340 2404 1 5 . 1 1 77 77 LEU H H 77 8.265 8.265 8.773 -0.508 19340 2405 1 5 . 1 1 78 78 GLN N N 78 121.687 121.687 117.908 3.779 19340 2406 1 5 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.020 -0.207 19340 2407 1 5 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.416 0.217 19340 2408 1 5 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.299 4.139 19340 2409 1 5 . 1 1 78 78 GLN H H 78 8.776 8.776 7.979 0.797 19340 2410 1 5 . 1 1 79 79 LEU N N 79 120.042 120.042 120.830 -0.788 19340 2411 1 5 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.131 -0.123 19340 2412 1 5 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.550 0.186 19340 2413 1 5 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.133 0.410 19340 2414 1 5 . 1 1 79 79 LEU H H 79 7.990 7.990 7.342 0.648 19340 2415 1 5 . 1 1 80 80 LEU N N 80 122.157 122.157 120.452 1.705 19340 2416 1 5 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.032 -0.208 19340 2417 1 5 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.022 1.067 19340 2418 1 5 . 1 1 80 80 LEU CB C 80 42.404 42.404 40.107 2.297 19340 2419 1 5 . 1 1 80 80 LEU H H 80 8.454 8.454 8.531 -0.077 19340 2420 1 5 . 1 1 81 81 SER N N 81 114.179 114.179 113.124 1.055 19340 2421 1 5 . 1 1 81 81 SER HA H 81 3.897 3.897 4.229 -0.332 19340 2422 1 5 . 1 1 81 81 SER CA C 81 61.756 61.756 60.505 1.251 19340 2423 1 5 . 1 1 81 81 SER CB C 81 63.486 63.486 62.955 0.531 19340 2424 1 5 . 1 1 81 81 SER H H 81 8.006 8.006 7.781 0.225 19340 2425 1 5 . 1 1 82 82 SER N N 82 113.392 113.392 115.744 -2.352 19340 2426 1 5 . 1 1 82 82 SER HA H 82 4.718 4.718 4.639 0.079 19340 2427 1 5 . 1 1 82 82 SER CA C 82 57.718 57.718 58.407 -0.689 19340 2428 1 5 . 1 1 82 82 SER CB C 82 64.377 64.377 63.940 0.437 19340 2429 1 5 . 1 1 82 82 SER H H 82 7.160 7.160 7.915 -0.755 19340 2430 1 5 . 1 1 83 83 SER N N 83 117.607 117.607 116.739 0.868 19340 2431 1 5 . 1 1 83 83 SER HA H 83 4.885 4.885 4.722 0.163 19340 2432 1 5 . 1 1 83 83 SER CA C 83 59.263 59.263 58.306 0.957 19340 2433 1 5 . 1 1 83 83 SER CB C 83 65.352 65.352 65.493 -0.141 19340 2434 1 5 . 1 1 83 83 SER H H 83 7.369 7.369 7.775 -0.406 19340 2435 1 5 . 1 1 84 84 THR N N 84 117.656 117.656 114.482 3.174 19340 2436 1 5 . 1 1 84 84 THR HA H 84 4.545 4.545 4.512 0.033 19340 2437 1 5 . 1 1 84 84 THR CA C 84 62.006 62.006 62.648 -0.642 19340 2438 1 5 . 1 1 84 84 THR CB C 84 69.724 69.724 69.262 0.462 19340 2439 1 5 . 1 1 84 84 THR H H 84 8.488 8.488 8.194 0.294 19340 2440 1 5 . 1 1 85 85 LEU N N 85 130.429 130.429 119.714 10.715 19340 2441 1 5 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.120 0.168 19340 2442 1 5 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.257 1.038 19340 2443 1 5 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.363 2.027 19340 2444 1 5 . 1 1 85 85 LEU H H 85 8.878 8.878 7.709 1.169 19340 2445 1 5 . 1 1 86 86 GLY N N 86 112.150 112.150 107.021 5.129 19340 2446 1 5 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.625 -1.823 19340 2447 1 5 . 1 1 86 86 GLY H H 86 7.901 7.901 8.887 -0.986 19340 2448 1 5 . 1 1 87 87 ALA N N 87 122.559 122.559 122.350 0.209 19340 2449 1 5 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.481 -0.197 19340 2450 1 5 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.106 -0.151 19340 2451 1 5 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.740 -0.395 19340 2452 1 5 . 1 1 87 87 ALA H H 87 8.113 8.113 7.594 0.519 19340 2453 1 5 . 1 1 88 88 VAL N N 88 122.375 122.375 118.146 4.229 19340 2454 1 5 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.285 -0.478 19340 2455 1 5 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.787 0.177 19340 2456 1 5 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.824 -0.195 19340 2457 1 5 . 1 1 88 88 VAL H H 88 8.447 8.447 8.348 0.099 19340 2458 1 5 . 1 1 89 89 ASP N N 89 127.408 127.408 119.392 8.016 19340 2459 1 5 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.461 0.397 19340 2460 1 5 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.556 -1.954 19340 2461 1 5 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.118 0.699 19340 2462 1 5 . 1 1 89 89 ASP H H 89 8.570 8.570 8.425 0.145 19340 2463 1 5 . 1 1 90 90 THR N N 90 116.481 116.481 109.893 6.588 19340 2464 1 5 . 1 1 90 90 THR HA H 90 3.953 3.953 4.100 -0.147 19340 2465 1 5 . 1 1 90 90 THR CA C 90 63.879 63.879 64.092 -0.213 19340 2466 1 5 . 1 1 90 90 THR CB C 90 68.833 68.833 69.119 -0.286 19340 2467 1 5 . 1 1 90 90 THR H H 90 8.539 8.539 8.282 0.257 19340 2468 1 5 . 1 1 91 91 THR N N 91 114.681 114.681 115.678 -0.997 19340 2469 1 5 . 1 1 91 91 THR HA H 91 4.182 4.182 4.288 -0.106 19340 2470 1 5 . 1 1 91 91 THR CA C 91 64.750 64.750 64.116 0.634 19340 2471 1 5 . 1 1 91 91 THR CB C 91 69.055 69.055 68.702 0.353 19340 2472 1 5 . 1 1 91 91 THR H H 91 8.335 8.335 7.946 0.389 19340 2473 1 5 . 1 1 92 92 SER N N 92 114.236 114.236 116.821 -2.585 19340 2474 1 5 . 1 1 92 92 SER HA H 92 4.668 4.668 4.643 0.025 19340 2475 1 5 . 1 1 92 92 SER CA C 92 58.460 58.460 58.296 0.164 19340 2476 1 5 . 1 1 92 92 SER CB C 92 64.433 64.433 63.620 0.813 19340 2477 1 5 . 1 1 92 92 SER H H 92 7.642 7.642 7.580 0.062 19340 2478 1 5 . 1 1 93 93 ILE N N 93 122.128 122.128 123.078 -0.950 19340 2479 1 5 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.727 0.086 19340 2480 1 5 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.091 0.039 19340 2481 1 5 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.292 0.907 19340 2482 1 5 . 1 1 93 93 ILE H H 93 7.276 7.276 7.163 0.113 19340 2483 1 5 . 1 1 94 94 GLY N N 94 108.426 108.426 107.139 1.287 19340 2484 1 5 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.126 -0.127 19340 2485 1 5 . 1 1 94 94 GLY H H 94 8.756 8.756 8.658 0.098 19340 2486 1 5 . 1 1 95 95 LEU N N 95 123.674 123.674 122.448 1.226 19340 2487 1 5 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.125 0.157 19340 2488 1 5 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.613 0.416 19340 2489 1 5 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.787 -0.525 19340 2490 1 5 . 1 1 95 95 LEU H H 95 7.568 7.568 7.538 0.030 19340 2491 1 5 . 1 1 96 96 THR N N 96 119.717 119.717 117.334 2.383 19340 2492 1 5 . 1 1 96 96 THR HA H 96 3.837 3.837 3.866 -0.029 19340 2493 1 5 . 1 1 96 96 THR CA C 96 66.683 66.683 67.345 -0.662 19340 2494 1 5 . 1 1 96 96 THR CB C 96 67.969 67.969 68.440 -0.471 19340 2495 1 5 . 1 1 96 96 THR H H 96 8.430 8.430 8.500 -0.070 19340 2496 1 5 . 1 1 97 97 SER N N 97 117.285 117.285 116.723 0.562 19340 2497 1 5 . 1 1 97 97 SER HA H 97 4.094 4.094 4.095 -0.001 19340 2498 1 5 . 1 1 97 97 SER CA C 97 62.507 62.507 62.331 0.176 19340 2499 1 5 . 1 1 97 97 SER CB C 97 62.845 62.845 62.981 -0.136 19340 2500 1 5 . 1 1 97 97 SER H H 97 9.000 9.000 8.680 0.320 19340 2501 1 5 . 1 1 98 98 ASN N N 98 121.846 121.846 118.906 2.940 19340 2502 1 5 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.552 -0.164 19340 2503 1 5 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.635 1.247 19340 2504 1 5 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.634 0.200 19340 2505 1 5 . 1 1 98 98 ASN H H 98 7.939 7.939 7.669 0.270 19340 2506 1 5 . 1 1 99 99 SER N N 99 117.585 117.585 116.919 0.666 19340 2507 1 5 . 1 1 99 99 SER HA H 99 4.204 4.204 4.193 0.011 19340 2508 1 5 . 1 1 99 99 SER CA C 99 62.886 62.886 61.800 1.086 19340 2509 1 5 . 1 1 99 99 SER CB C 99 62.984 62.984 63.152 -0.168 19340 2510 1 5 . 1 1 99 99 SER H H 99 8.370 8.370 8.063 0.307 19340 2511 1 5 . 1 1 100 100 VAL N N 100 121.524 121.524 119.526 1.998 19340 2512 1 5 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.267 0.284 19340 2513 1 5 . 1 1 100 100 VAL CA C 100 67.951 67.951 65.703 2.248 19340 2514 1 5 . 1 1 100 100 VAL CB C 100 31.654 31.654 29.919 1.734 19340 2515 1 5 . 1 1 100 100 VAL H H 100 8.565 8.565 8.133 0.432 19340 2516 1 5 . 1 1 101 101 SER N N 101 113.005 113.005 116.449 -3.444 19340 2517 1 5 . 1 1 101 101 SER HA H 101 3.875 3.875 4.109 -0.234 19340 2518 1 5 . 1 1 101 101 SER CA C 101 62.326 62.326 62.117 0.208 19340 2519 1 5 . 1 1 101 101 SER CB C 101 63.263 63.263 62.794 0.469 19340 2520 1 5 . 1 1 101 101 SER H H 101 8.272 8.272 7.760 0.512 19340 2521 1 5 . 1 1 102 102 LYS N N 102 119.357 119.357 121.291 -1.934 19340 2522 1 5 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.122 -0.102 19340 2523 1 5 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.013 0.586 19340 2524 1 5 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.419 0.725 19340 2525 1 5 . 1 1 102 102 LYS H H 102 7.953 7.953 7.622 0.331 19340 2526 1 5 . 1 1 103 103 ALA N N 103 120.882 120.882 122.931 -2.049 19340 2527 1 5 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.137 0.106 19340 2528 1 5 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.072 -0.485 19340 2529 1 5 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.585 2.041 19340 2530 1 5 . 1 1 103 103 ALA H H 103 8.049 8.049 8.242 -0.193 19340 2531 1 5 . 1 1 104 104 VAL N N 104 116.191 116.191 119.038 -2.847 19340 2532 1 5 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.671 -0.422 19340 2533 1 5 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.845 0.269 19340 2534 1 5 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.810 -0.796 19340 2535 1 5 . 1 1 104 104 VAL H H 104 8.572 8.572 8.515 0.057 19340 2536 1 5 . 1 1 105 105 ALA N N 105 121.884 121.884 120.528 1.356 19340 2537 1 5 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.268 -0.377 19340 2538 1 5 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.430 0.873 19340 2539 1 5 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.381 0.101 19340 2540 1 5 . 1 1 105 105 ALA H H 105 8.347 8.347 7.782 0.565 19340 2541 1 5 . 1 1 106 106 GLN N N 106 113.657 113.657 118.319 -4.662 19340 2542 1 5 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.156 -0.125 19340 2543 1 5 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.217 0.132 19340 2544 1 5 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.007 6.240 19340 2545 1 5 . 1 1 106 106 GLN H H 106 7.838 7.838 7.933 -0.095 19340 2546 1 5 . 1 1 107 107 ALA N N 107 117.818 117.818 120.483 -2.665 19340 2547 1 5 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.386 -0.132 19340 2548 1 5 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.834 0.321 19340 2549 1 5 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.186 2.972 19340 2550 1 5 . 1 1 107 107 ALA H H 107 8.145 8.145 7.783 0.362 19340 2551 1 5 . 1 1 108 108 LEU N N 108 113.428 113.428 118.608 -5.180 19340 2552 1 5 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.254 0.168 19340 2553 1 5 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.926 -1.521 19340 2554 1 5 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.412 0.243 19340 2555 1 5 . 1 1 108 108 LEU H H 108 8.341 8.341 8.083 0.258 19340 2556 1 6 . 1 1 2 2 SER N N 2 117.112 117.112 116.383 0.729 19340 2557 1 6 . 1 1 2 2 SER HA H 2 4.500 4.500 4.241 0.259 19340 2558 1 6 . 1 1 2 2 SER CA C 2 58.547 58.547 57.998 0.549 19340 2559 1 6 . 1 1 2 2 SER CB C 2 63.820 63.820 64.323 -0.503 19340 2560 1 6 . 1 1 2 2 SER H H 2 8.748 8.748 8.076 0.672 19340 2561 1 6 . 1 1 3 3 PHE N N 3 123.783 123.783 123.538 0.245 19340 2562 1 6 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.478 -0.257 19340 2563 1 6 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.173 1.918 19340 2564 1 6 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.894 -0.027 19340 2565 1 6 . 1 1 3 3 PHE H H 3 8.398 8.398 8.843 -0.445 19340 2566 1 6 . 1 1 4 4 GLY N N 4 106.435 106.435 107.813 -1.378 19340 2567 1 6 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.813 0.406 19340 2568 1 6 . 1 1 4 4 GLY H H 4 8.699 8.699 8.414 0.285 19340 2569 1 6 . 1 1 5 5 LEU N N 5 121.041 121.041 119.142 1.899 19340 2570 1 6 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.295 -0.164 19340 2571 1 6 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.446 0.160 19340 2572 1 6 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.659 0.132 19340 2573 1 6 . 1 1 5 5 LEU H H 5 7.590 7.590 7.348 0.242 19340 2574 1 6 . 1 1 6 6 VAL N N 6 118.980 118.980 115.366 3.614 19340 2575 1 6 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.892 -0.191 19340 2576 1 6 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.089 0.679 19340 2577 1 6 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.347 0.976 19340 2578 1 6 . 1 1 6 6 VAL H H 6 7.630 7.630 7.582 0.048 19340 2579 1 6 . 1 1 7 7 LEU N N 7 120.127 120.127 117.054 3.073 19340 2580 1 6 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.219 0.041 19340 2581 1 6 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.478 0.593 19340 2582 1 6 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.419 0.372 19340 2583 1 6 . 1 1 7 7 LEU H H 7 8.171 8.171 7.470 0.701 19340 2584 1 6 . 1 1 8 8 ASN N N 8 114.592 114.592 115.274 -0.682 19340 2585 1 6 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.784 0.040 19340 2586 1 6 . 1 1 8 8 ASN CA C 8 52.723 52.723 52.952 -0.229 19340 2587 1 6 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.857 -0.516 19340 2588 1 6 . 1 1 8 8 ASN H H 8 7.602 7.602 7.554 0.048 19340 2589 1 6 . 1 1 9 9 SER N N 9 116.029 116.029 116.931 -0.902 19340 2590 1 6 . 1 1 9 9 SER HA H 9 4.690 4.690 4.622 0.068 19340 2591 1 6 . 1 1 9 9 SER CA C 9 56.675 56.675 57.254 -0.579 19340 2592 1 6 . 1 1 9 9 SER CB C 9 64.210 64.210 63.675 0.535 19340 2593 1 6 . 1 1 9 9 SER H H 9 7.186 7.186 7.693 -0.507 19340 2594 1 6 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.456 -0.017 19340 2595 1 6 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.443 0.264 19340 2596 1 6 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.042 0.002 19340 2597 1 6 . 1 1 11 11 ASN N N 11 114.702 114.702 114.592 0.110 19340 2598 1 6 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.867 0.192 19340 2599 1 6 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.913 0.853 19340 2600 1 6 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.190 2.097 19340 2601 1 6 . 1 1 11 11 ASN H H 11 8.150 8.150 8.031 0.119 19340 2602 1 6 . 1 1 12 12 GLY N N 12 122.938 122.938 108.327 14.611 19340 2603 1 6 . 1 1 12 12 GLY CA C 12 44.121 44.121 44.936 -0.815 19340 2604 1 6 . 1 1 12 12 GLY H H 12 7.324 7.324 7.641 -0.317 19340 2605 1 6 . 1 1 13 13 LEU N N 13 124.662 124.662 119.922 4.740 19340 2606 1 6 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.437 -0.708 19340 2607 1 6 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.449 2.571 19340 2608 1 6 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.083 1.602 19340 2609 1 6 . 1 1 13 13 LEU H H 13 9.253 9.253 8.406 0.847 19340 2610 1 6 . 1 1 14 14 ARG N N 14 113.071 113.071 118.853 -5.782 19340 2611 1 6 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.179 0.109 19340 2612 1 6 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.047 -0.657 19340 2613 1 6 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.285 -0.246 19340 2614 1 6 . 1 1 14 14 ARG H H 14 8.168 8.168 8.231 -0.063 19340 2615 1 6 . 1 1 15 15 SER N N 15 118.055 118.055 113.539 4.516 19340 2616 1 6 . 1 1 15 15 SER HA H 15 4.690 4.690 4.671 0.019 19340 2617 1 6 . 1 1 15 15 SER CA C 15 57.520 57.520 57.286 0.234 19340 2618 1 6 . 1 1 15 15 SER CB C 15 65.463 65.463 64.285 1.178 19340 2619 1 6 . 1 1 15 15 SER H H 15 8.264 8.264 7.705 0.559 19340 2620 1 6 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.316 0.061 19340 2621 1 6 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.959 0.395 19340 2622 1 6 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.935 -0.169 19340 2623 1 6 . 1 1 17 17 GLN N N 17 117.374 117.374 117.493 -0.119 19340 2624 1 6 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.079 0.036 19340 2625 1 6 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.724 0.547 19340 2626 1 6 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.291 0.603 19340 2627 1 6 . 1 1 17 17 GLN H H 17 8.661 8.661 8.768 -0.107 19340 2628 1 6 . 1 1 18 18 ALA N N 18 122.904 122.904 122.901 0.003 19340 2629 1 6 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.060 -0.191 19340 2630 1 6 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.803 0.586 19340 2631 1 6 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.329 0.988 19340 2632 1 6 . 1 1 18 18 ALA H H 18 7.785 7.785 7.541 0.244 19340 2633 1 6 . 1 1 19 19 LYS N N 19 116.947 116.947 119.194 -2.247 19340 2634 1 6 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.003 -0.251 19340 2635 1 6 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.303 1.427 19340 2636 1 6 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.227 -0.628 19340 2637 1 6 . 1 1 19 19 LYS H H 19 7.410 7.410 7.502 -0.092 19340 2638 1 6 . 1 1 20 20 ALA N N 20 119.887 119.887 121.989 -2.102 19340 2639 1 6 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.021 0.150 19340 2640 1 6 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.007 0.002 19340 2641 1 6 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.483 -0.196 19340 2642 1 6 . 1 1 20 20 ALA H H 20 7.362 7.362 7.519 -0.157 19340 2643 1 6 . 1 1 21 21 ARG N N 21 118.182 118.182 118.737 -0.555 19340 2644 1 6 . 1 1 21 21 ARG HA H 21 4.048 4.048 3.994 0.054 19340 2645 1 6 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.250 1.342 19340 2646 1 6 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.245 1.771 19340 2647 1 6 . 1 1 21 21 ARG H H 21 7.502 7.502 7.535 -0.033 19340 2648 1 6 . 1 1 22 22 ILE N N 22 122.484 122.484 119.762 2.722 19340 2649 1 6 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.690 -0.145 19340 2650 1 6 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.132 0.878 19340 2651 1 6 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.527 0.477 19340 2652 1 6 . 1 1 22 22 ILE H H 22 9.258 9.258 8.164 1.094 19340 2653 1 6 . 1 1 23 23 ASN N N 23 119.721 119.721 119.120 0.601 19340 2654 1 6 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.327 -0.050 19340 2655 1 6 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.728 0.430 19340 2656 1 6 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.383 0.568 19340 2657 1 6 . 1 1 23 23 ASN H H 23 8.395 8.395 7.927 0.468 19340 2658 1 6 . 1 1 24 24 ASN N N 24 117.554 117.554 118.311 -0.757 19340 2659 1 6 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.474 0.021 19340 2660 1 6 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.635 0.824 19340 2661 1 6 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.076 -0.122 19340 2662 1 6 . 1 1 24 24 ASN H H 24 8.002 8.002 7.670 0.332 19340 2663 1 6 . 1 1 25 25 LEU N N 25 123.367 123.367 121.948 1.419 19340 2664 1 6 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.043 0.111 19340 2665 1 6 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.395 -0.478 19340 2666 1 6 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.850 1.083 19340 2667 1 6 . 1 1 25 25 LEU H H 25 8.235 8.235 7.550 0.685 19340 2668 1 6 . 1 1 26 26 ALA N N 26 123.137 123.137 119.895 3.242 19340 2669 1 6 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.059 -0.190 19340 2670 1 6 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.799 0.909 19340 2671 1 6 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.147 -1.197 19340 2672 1 6 . 1 1 26 26 ALA H H 26 9.068 9.068 8.452 0.616 19340 2673 1 6 . 1 1 27 27 SER N N 27 113.809 113.809 113.356 0.453 19340 2674 1 6 . 1 1 27 27 SER HA H 27 4.182 4.182 4.462 -0.280 19340 2675 1 6 . 1 1 27 27 SER CA C 27 62.075 62.075 60.100 1.975 19340 2676 1 6 . 1 1 27 27 SER CB C 27 62.929 62.929 64.021 -1.092 19340 2677 1 6 . 1 1 27 27 SER H H 27 8.004 8.004 7.398 0.606 19340 2678 1 6 . 1 1 28 28 ALA N N 28 124.782 124.782 125.531 -0.749 19340 2679 1 6 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.047 0.157 19340 2680 1 6 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.192 0.068 19340 2681 1 6 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.407 -0.705 19340 2682 1 6 . 1 1 28 28 ALA H H 28 7.970 7.970 7.762 0.208 19340 2683 1 6 . 1 1 29 29 LEU N N 29 117.907 117.907 117.441 0.466 19340 2684 1 6 . 1 1 29 29 LEU HA H 29 3.824 3.824 4.019 -0.195 19340 2685 1 6 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.013 -0.018 19340 2686 1 6 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.480 1.046 19340 2687 1 6 . 1 1 29 29 LEU H H 29 8.960 8.960 8.756 0.204 19340 2688 1 6 . 1 1 30 30 SER N N 30 112.859 112.859 112.772 0.087 19340 2689 1 6 . 1 1 30 30 SER HA H 30 4.076 4.076 4.127 -0.051 19340 2690 1 6 . 1 1 30 30 SER CA C 30 61.998 61.998 60.997 1.001 19340 2691 1 6 . 1 1 30 30 SER CB C 30 63.012 63.012 63.002 0.010 19340 2692 1 6 . 1 1 30 30 SER H H 30 7.951 7.951 7.894 0.057 19340 2693 1 6 . 1 1 31 31 THR N N 31 109.820 109.820 115.007 -5.187 19340 2694 1 6 . 1 1 31 31 THR HA H 31 4.472 4.472 4.263 0.209 19340 2695 1 6 . 1 1 31 31 THR CA C 31 62.731 62.731 64.013 -1.282 19340 2696 1 6 . 1 1 31 31 THR CB C 31 69.362 69.362 69.282 0.080 19340 2697 1 6 . 1 1 31 31 THR H H 31 7.164 7.164 7.586 -0.422 19340 2698 1 6 . 1 1 32 32 ALA N N 32 122.926 122.926 123.225 -0.299 19340 2699 1 6 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.310 0.117 19340 2700 1 6 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.710 -0.625 19340 2701 1 6 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.412 1.214 19340 2702 1 6 . 1 1 32 32 ALA H H 32 7.997 7.997 7.708 0.289 19340 2703 1 6 . 1 1 33 33 VAL N N 33 116.339 116.339 118.080 -1.741 19340 2704 1 6 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.145 0.316 19340 2705 1 6 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.227 -1.626 19340 2706 1 6 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.834 0.795 19340 2707 1 6 . 1 1 33 33 VAL H H 33 7.550 7.550 8.123 -0.573 19340 2708 1 6 . 1 1 34 34 GLY N N 34 113.114 113.114 113.755 -0.641 19340 2709 1 6 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.800 -0.531 19340 2710 1 6 . 1 1 34 34 GLY H H 34 7.886 7.886 8.545 -0.659 19340 2711 1 6 . 1 1 35 35 ARG N N 35 120.709 120.709 120.301 0.408 19340 2712 1 6 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.325 0.058 19340 2713 1 6 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.071 0.829 19340 2714 1 6 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.738 0.134 19340 2715 1 6 . 1 1 35 35 ARG H H 35 8.773 8.773 8.492 0.281 19340 2716 1 6 . 1 1 36 36 ASN N N 36 114.578 114.578 116.786 -2.208 19340 2717 1 6 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.735 0.089 19340 2718 1 6 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.324 0.770 19340 2719 1 6 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.303 0.313 19340 2720 1 6 . 1 1 36 36 ASN H H 36 8.628 8.628 8.016 0.612 19340 2721 1 6 . 1 1 37 37 GLY N N 37 108.462 108.462 109.714 -1.252 19340 2722 1 6 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.596 -0.879 19340 2723 1 6 . 1 1 37 37 GLY H H 37 7.880 7.880 7.954 -0.074 19340 2724 1 6 . 1 1 38 38 VAL N N 38 121.761 121.761 120.351 1.410 19340 2725 1 6 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.228 0.149 19340 2726 1 6 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.378 -0.312 19340 2727 1 6 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.806 -0.035 19340 2728 1 6 . 1 1 38 38 VAL H H 38 8.565 8.565 7.821 0.744 19340 2729 1 6 . 1 1 39 39 ASP N N 39 127.585 127.585 127.477 0.108 19340 2730 1 6 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.859 -0.208 19340 2731 1 6 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.193 0.652 19340 2732 1 6 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.851 0.578 19340 2733 1 6 . 1 1 39 39 ASP H H 39 9.007 9.007 8.523 0.484 19340 2734 1 6 . 1 1 40 40 VAL N N 40 129.021 129.021 126.767 2.254 19340 2735 1 6 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.712 -0.217 19340 2736 1 6 . 1 1 40 40 VAL CA C 40 67.399 67.399 64.852 2.547 19340 2737 1 6 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.455 0.896 19340 2738 1 6 . 1 1 40 40 VAL H H 40 8.632 8.632 8.724 -0.092 19340 2739 1 6 . 1 1 41 41 ASN N N 41 122.301 122.301 118.437 3.864 19340 2740 1 6 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.348 0.102 19340 2741 1 6 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.802 0.209 19340 2742 1 6 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.468 -0.631 19340 2743 1 6 . 1 1 41 41 ASN H H 41 8.673 8.673 7.999 0.674 19340 2744 1 6 . 1 1 42 42 ALA N N 42 124.313 124.313 122.078 2.235 19340 2745 1 6 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.214 -0.016 19340 2746 1 6 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.520 0.351 19340 2747 1 6 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.588 0.089 19340 2748 1 6 . 1 1 42 42 ALA H H 42 8.420 8.420 7.662 0.758 19340 2749 1 6 . 1 1 43 43 PHE N N 43 119.198 119.198 119.463 -0.265 19340 2750 1 6 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.134 0.349 19340 2751 1 6 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.589 -3.422 19340 2752 1 6 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.117 0.057 19340 2753 1 6 . 1 1 43 43 PHE H H 43 8.611 8.611 8.645 -0.034 19340 2754 1 6 . 1 1 44 44 THR N N 44 116.700 116.700 114.224 2.476 19340 2755 1 6 . 1 1 44 44 THR HA H 44 4.349 4.349 4.082 0.267 19340 2756 1 6 . 1 1 44 44 THR CA C 44 68.443 68.443 65.958 2.485 19340 2757 1 6 . 1 1 44 44 THR CB C 44 68.248 68.248 68.531 -0.283 19340 2758 1 6 . 1 1 44 44 THR H H 44 8.881 8.881 8.930 -0.049 19340 2759 1 6 . 1 1 45 45 SER N N 45 116.018 116.018 116.242 -0.224 19340 2760 1 6 . 1 1 45 45 SER HA H 45 4.117 4.117 4.214 -0.097 19340 2761 1 6 . 1 1 45 45 SER CA C 45 62.507 62.507 62.226 0.281 19340 2762 1 6 . 1 1 45 45 SER CB C 45 62.706 62.706 63.009 -0.303 19340 2763 1 6 . 1 1 45 45 SER H H 45 8.020 8.020 7.764 0.256 19340 2764 1 6 . 1 1 46 46 GLY N N 46 108.460 108.460 109.101 -0.641 19340 2765 1 6 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.643 0.463 19340 2766 1 6 . 1 1 46 46 GLY H H 46 7.871 7.871 7.452 0.419 19340 2767 1 6 . 1 1 47 47 LEU N N 47 123.148 123.148 122.986 0.162 19340 2768 1 6 . 1 1 47 47 LEU HA H 47 3.830 3.830 4.005 -0.175 19340 2769 1 6 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.179 1.161 19340 2770 1 6 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.365 1.067 19340 2771 1 6 . 1 1 47 47 LEU H H 47 8.221 8.221 7.438 0.783 19340 2772 1 6 . 1 1 48 48 ARG N N 48 118.694 118.694 119.056 -0.362 19340 2773 1 6 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.985 -0.138 19340 2774 1 6 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.911 0.327 19340 2775 1 6 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.720 0.625 19340 2776 1 6 . 1 1 48 48 ARG H H 48 8.646 8.646 8.163 0.483 19340 2777 1 6 . 1 1 49 49 ALA N N 49 122.114 122.114 120.464 1.650 19340 2778 1 6 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.256 -0.097 19340 2779 1 6 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.898 0.310 19340 2780 1 6 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.192 -0.100 19340 2781 1 6 . 1 1 49 49 ALA H H 49 8.078 8.078 7.498 0.580 19340 2782 1 6 . 1 1 50 50 THR N N 50 115.708 115.708 117.105 -1.397 19340 2783 1 6 . 1 1 50 50 THR HA H 50 3.696 3.696 3.933 -0.237 19340 2784 1 6 . 1 1 50 50 THR CA C 50 67.692 67.692 67.809 -0.117 19340 2785 1 6 . 1 1 50 50 THR CB C 50 68.599 68.599 68.789 -0.190 19340 2786 1 6 . 1 1 50 50 THR H H 50 7.577 7.577 7.886 -0.309 19340 2787 1 6 . 1 1 51 51 LEU N N 51 121.108 121.108 122.620 -1.512 19340 2788 1 6 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.072 -0.281 19340 2789 1 6 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.858 0.395 19340 2790 1 6 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.963 1.023 19340 2791 1 6 . 1 1 51 51 LEU H H 51 8.014 8.014 8.692 -0.678 19340 2792 1 6 . 1 1 52 52 SER N N 52 115.122 115.122 114.089 1.033 19340 2793 1 6 . 1 1 52 52 SER HA H 52 4.154 4.154 4.112 0.042 19340 2794 1 6 . 1 1 52 52 SER CA C 52 61.765 61.765 61.413 0.352 19340 2795 1 6 . 1 1 52 52 SER CB C 52 62.901 62.901 62.851 0.050 19340 2796 1 6 . 1 1 52 52 SER H H 52 8.442 8.442 7.884 0.558 19340 2797 1 6 . 1 1 53 53 ASN N N 53 119.438 119.438 119.675 -0.237 19340 2798 1 6 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.528 0.112 19340 2799 1 6 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.009 -0.016 19340 2800 1 6 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.760 0.748 19340 2801 1 6 . 1 1 53 53 ASN H H 53 7.705 7.705 7.867 -0.162 19340 2802 1 6 . 1 1 54 54 LEU N N 54 120.042 120.042 120.557 -0.515 19340 2803 1 6 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.214 -0.021 19340 2804 1 6 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.265 -0.150 19340 2805 1 6 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.918 1.071 19340 2806 1 6 . 1 1 54 54 LEU H H 54 7.811 7.811 8.718 -0.907 19340 2807 1 6 . 1 1 55 55 GLY N N 55 109.450 109.450 105.805 3.645 19340 2808 1 6 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.422 1.254 19340 2809 1 6 . 1 1 55 55 GLY H H 55 8.074 8.074 8.104 -0.030 19340 2810 1 6 . 1 1 56 56 ASP N N 56 121.016 121.016 117.930 3.086 19340 2811 1 6 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.838 -0.081 19340 2812 1 6 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.328 1.483 19340 2813 1 6 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.309 -0.771 19340 2814 1 6 . 1 1 56 56 ASP H H 56 8.144 8.144 7.453 0.691 19340 2815 1 6 . 1 1 57 57 SER N N 57 113.978 113.978 115.076 -1.098 19340 2816 1 6 . 1 1 57 57 SER HA H 57 4.305 4.305 4.425 -0.120 19340 2817 1 6 . 1 1 57 57 SER CA C 57 60.031 60.031 60.479 -0.448 19340 2818 1 6 . 1 1 57 57 SER CB C 57 65.212 65.212 64.797 0.415 19340 2819 1 6 . 1 1 57 57 SER H H 57 7.742 7.742 7.933 -0.191 19340 2820 1 6 . 1 1 58 58 GLY N N 58 110.315 110.315 107.744 2.571 19340 2821 1 6 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.975 0.715 19340 2822 1 6 . 1 1 58 58 GLY H H 58 8.306 8.306 7.915 0.391 19340 2823 1 6 . 1 1 59 59 MET N N 59 120.024 120.024 116.792 3.232 19340 2824 1 6 . 1 1 59 59 MET HA H 59 4.416 4.416 4.863 -0.447 19340 2825 1 6 . 1 1 59 59 MET CA C 59 56.597 56.597 54.492 2.105 19340 2826 1 6 . 1 1 59 59 MET CB C 59 34.328 34.328 34.286 0.042 19340 2827 1 6 . 1 1 59 59 MET H H 59 7.686 7.686 7.295 0.391 19340 2828 1 6 . 1 1 60 60 SER N N 60 122.795 122.795 114.401 8.394 19340 2829 1 6 . 1 1 60 60 SER HA H 60 4.601 4.601 4.795 -0.194 19340 2830 1 6 . 1 1 60 60 SER CA C 60 57.598 57.598 54.736 2.862 19340 2831 1 6 . 1 1 60 60 SER CB C 60 62.511 62.511 64.962 -2.451 19340 2832 1 6 . 1 1 60 60 SER H H 60 9.088 9.088 8.284 0.804 19340 2833 1 6 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.528 -0.313 19340 2834 1 6 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.270 2.352 19340 2835 1 6 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.955 0.006 19340 2836 1 6 . 1 1 62 62 ASN N N 62 113.170 113.170 116.709 -3.539 19340 2837 1 6 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.768 -0.391 19340 2838 1 6 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.252 1.164 19340 2839 1 6 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.882 -1.878 19340 2840 1 6 . 1 1 62 62 ASN H H 62 8.389 8.389 8.453 -0.064 19340 2841 1 6 . 1 1 63 63 GLU N N 63 120.222 120.222 120.634 -0.412 19340 2842 1 6 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.113 -0.361 19340 2843 1 6 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.494 1.174 19340 2844 1 6 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.089 8.748 19340 2845 1 6 . 1 1 63 63 GLU H H 63 7.428 7.428 7.543 -0.115 19340 2846 1 6 . 1 1 64 64 ALA N N 64 120.568 120.568 122.176 -1.608 19340 2847 1 6 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.060 0.016 19340 2848 1 6 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.388 -0.568 19340 2849 1 6 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.537 -0.195 19340 2850 1 6 . 1 1 64 64 ALA H H 64 8.640 8.640 7.808 0.832 19340 2851 1 6 . 1 1 65 65 LYS N N 65 115.104 115.104 116.536 -1.432 19340 2852 1 6 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.022 -0.399 19340 2853 1 6 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.157 1.718 19340 2854 1 6 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.186 0.666 19340 2855 1 6 . 1 1 65 65 LYS H H 65 7.472 7.472 8.267 -0.795 19340 2856 1 6 . 1 1 66 66 VAL N N 66 116.911 116.911 119.202 -2.291 19340 2857 1 6 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.001 -0.450 19340 2858 1 6 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.361 2.943 19340 2859 1 6 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.045 -0.502 19340 2860 1 6 . 1 1 66 66 VAL H H 66 7.045 7.045 7.291 -0.246 19340 2861 1 6 . 1 1 67 67 GLU N N 67 120.755 120.755 119.937 0.818 19340 2862 1 6 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.151 -0.109 19340 2863 1 6 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.912 -1.503 19340 2864 1 6 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.755 3.180 19340 2865 1 6 . 1 1 67 67 GLU H H 67 8.439 8.439 8.539 -0.099 19340 2866 1 6 . 1 1 68 68 VAL N N 68 119.280 119.280 116.108 3.172 19340 2867 1 6 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.768 -0.413 19340 2868 1 6 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.138 1.295 19340 2869 1 6 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.008 -0.355 19340 2870 1 6 . 1 1 68 68 VAL H H 68 8.473 8.473 8.087 0.386 19340 2871 1 6 . 1 1 69 69 LEU N N 69 117.578 117.578 119.649 -2.071 19340 2872 1 6 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.018 -0.060 19340 2873 1 6 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.490 0.867 19340 2874 1 6 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.346 0.752 19340 2875 1 6 . 1 1 69 69 LEU H H 69 7.292 7.292 7.696 -0.404 19340 2876 1 6 . 1 1 70 70 LEU N N 70 118.482 118.482 118.734 -0.252 19340 2877 1 6 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.964 0.017 19340 2878 1 6 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.164 0.210 19340 2879 1 6 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.781 0.400 19340 2880 1 6 . 1 1 70 70 LEU H H 70 8.237 8.237 7.545 0.692 19340 2881 1 6 . 1 1 71 71 GLU N N 71 123.582 123.582 120.160 3.422 19340 2882 1 6 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.953 -0.229 19340 2883 1 6 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.337 1.746 19340 2884 1 6 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.424 7.885 19340 2885 1 6 . 1 1 71 71 GLU H H 71 8.915 8.915 7.778 1.137 19340 2886 1 6 . 1 1 72 72 ALA N N 72 123.321 123.321 122.288 1.033 19340 2887 1 6 . 1 1 72 72 ALA HA H 72 4.064 4.064 3.995 0.069 19340 2888 1 6 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.138 0.562 19340 2889 1 6 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.234 -0.393 19340 2890 1 6 . 1 1 72 72 ALA H H 72 8.994 8.994 7.976 1.018 19340 2891 1 6 . 1 1 73 73 LEU N N 73 118.574 118.574 118.910 -0.336 19340 2892 1 6 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.034 -0.076 19340 2893 1 6 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.524 0.712 19340 2894 1 6 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.948 0.400 19340 2895 1 6 . 1 1 73 73 LEU H H 73 8.544 8.544 7.369 1.175 19340 2896 1 6 . 1 1 74 74 THR N N 74 115.785 115.785 115.860 -0.075 19340 2897 1 6 . 1 1 74 74 THR HA H 74 3.578 3.578 3.855 -0.277 19340 2898 1 6 . 1 1 74 74 THR CA C 74 68.727 68.727 67.312 1.415 19340 2899 1 6 . 1 1 74 74 THR CB C 74 67.691 67.691 68.492 -0.801 19340 2900 1 6 . 1 1 74 74 THR H H 74 8.137 8.137 8.092 0.045 19340 2901 1 6 . 1 1 75 75 ALA N N 75 123.543 123.543 123.287 0.256 19340 2902 1 6 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.340 -0.644 19340 2903 1 6 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.901 0.661 19340 2904 1 6 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.436 0.937 19340 2905 1 6 . 1 1 75 75 ALA H H 75 8.585 8.585 7.610 0.975 19340 2906 1 6 . 1 1 76 76 ALA N N 76 118.729 118.729 120.770 -2.041 19340 2907 1 6 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.051 -0.277 19340 2908 1 6 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.410 1.031 19340 2909 1 6 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.629 -0.481 19340 2910 1 6 . 1 1 76 76 ALA H H 76 8.199 8.199 7.256 0.943 19340 2911 1 6 . 1 1 77 77 LEU N N 77 117.321 117.321 119.435 -2.114 19340 2912 1 6 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.827 0.048 19340 2913 1 6 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.913 0.289 19340 2914 1 6 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.724 -1.102 19340 2915 1 6 . 1 1 77 77 LEU H H 77 8.265 8.265 8.772 -0.507 19340 2916 1 6 . 1 1 78 78 GLN N N 78 121.687 121.687 117.894 3.793 19340 2917 1 6 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.012 -0.199 19340 2918 1 6 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.425 0.208 19340 2919 1 6 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.295 4.144 19340 2920 1 6 . 1 1 78 78 GLN H H 78 8.776 8.776 8.031 0.745 19340 2921 1 6 . 1 1 79 79 LEU N N 79 120.042 120.042 120.672 -0.630 19340 2922 1 6 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.159 -0.151 19340 2923 1 6 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.463 0.273 19340 2924 1 6 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.227 0.316 19340 2925 1 6 . 1 1 79 79 LEU H H 79 7.990 7.990 7.335 0.655 19340 2926 1 6 . 1 1 80 80 LEU N N 80 122.157 122.157 120.389 1.768 19340 2927 1 6 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.024 -0.200 19340 2928 1 6 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.128 0.961 19340 2929 1 6 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.976 2.428 19340 2930 1 6 . 1 1 80 80 LEU H H 80 8.454 8.454 8.467 -0.013 19340 2931 1 6 . 1 1 81 81 SER N N 81 114.179 114.179 115.135 -0.956 19340 2932 1 6 . 1 1 81 81 SER HA H 81 3.897 3.897 4.252 -0.355 19340 2933 1 6 . 1 1 81 81 SER CA C 81 61.756 61.756 60.951 0.805 19340 2934 1 6 . 1 1 81 81 SER CB C 81 63.486 63.486 62.994 0.492 19340 2935 1 6 . 1 1 81 81 SER H H 81 8.006 8.006 7.958 0.048 19340 2936 1 6 . 1 1 82 82 SER N N 82 113.392 113.392 114.649 -1.257 19340 2937 1 6 . 1 1 82 82 SER HA H 82 4.718 4.718 4.706 0.012 19340 2938 1 6 . 1 1 82 82 SER CA C 82 57.718 57.718 58.031 -0.313 19340 2939 1 6 . 1 1 82 82 SER CB C 82 64.377 64.377 64.121 0.256 19340 2940 1 6 . 1 1 82 82 SER H H 82 7.160 7.160 8.099 -0.939 19340 2941 1 6 . 1 1 83 83 SER N N 83 117.607 117.607 118.954 -1.347 19340 2942 1 6 . 1 1 83 83 SER HA H 83 4.885 4.885 4.706 0.179 19340 2943 1 6 . 1 1 83 83 SER CA C 83 59.263 59.263 58.358 0.905 19340 2944 1 6 . 1 1 83 83 SER CB C 83 65.352 65.352 64.425 0.927 19340 2945 1 6 . 1 1 83 83 SER H H 83 7.369 7.369 7.784 -0.415 19340 2946 1 6 . 1 1 84 84 THR N N 84 117.656 117.656 115.548 2.108 19340 2947 1 6 . 1 1 84 84 THR HA H 84 4.545 4.545 4.471 0.074 19340 2948 1 6 . 1 1 84 84 THR CA C 84 62.006 62.006 62.396 -0.390 19340 2949 1 6 . 1 1 84 84 THR CB C 84 69.724 69.724 69.336 0.388 19340 2950 1 6 . 1 1 84 84 THR H H 84 8.488 8.488 8.101 0.387 19340 2951 1 6 . 1 1 85 85 LEU N N 85 130.429 130.429 119.872 10.557 19340 2952 1 6 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.105 0.183 19340 2953 1 6 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.224 1.071 19340 2954 1 6 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.496 1.893 19340 2955 1 6 . 1 1 85 85 LEU H H 85 8.878 8.878 7.702 1.176 19340 2956 1 6 . 1 1 86 86 GLY N N 86 112.150 112.150 107.303 4.847 19340 2957 1 6 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.611 -1.809 19340 2958 1 6 . 1 1 86 86 GLY H H 86 7.901 7.901 8.927 -1.026 19340 2959 1 6 . 1 1 87 87 ALA N N 87 122.559 122.559 122.463 0.096 19340 2960 1 6 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.488 -0.204 19340 2961 1 6 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.124 -0.169 19340 2962 1 6 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.686 -0.341 19340 2963 1 6 . 1 1 87 87 ALA H H 87 8.113 8.113 7.613 0.500 19340 2964 1 6 . 1 1 88 88 VAL N N 88 122.375 122.375 118.211 4.164 19340 2965 1 6 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.283 -0.476 19340 2966 1 6 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.782 0.182 19340 2967 1 6 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.834 -0.205 19340 2968 1 6 . 1 1 88 88 VAL H H 88 8.447 8.447 8.333 0.114 19340 2969 1 6 . 1 1 89 89 ASP N N 89 127.408 127.408 119.560 7.848 19340 2970 1 6 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.467 0.391 19340 2971 1 6 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.610 -2.008 19340 2972 1 6 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.214 0.603 19340 2973 1 6 . 1 1 89 89 ASP H H 89 8.570 8.570 8.427 0.143 19340 2974 1 6 . 1 1 90 90 THR N N 90 116.481 116.481 109.948 6.533 19340 2975 1 6 . 1 1 90 90 THR HA H 90 3.953 3.953 4.097 -0.144 19340 2976 1 6 . 1 1 90 90 THR CA C 90 63.879 63.879 64.129 -0.249 19340 2977 1 6 . 1 1 90 90 THR CB C 90 68.833 68.833 69.104 -0.271 19340 2978 1 6 . 1 1 90 90 THR H H 90 8.539 8.539 8.277 0.262 19340 2979 1 6 . 1 1 91 91 THR N N 91 114.681 114.681 116.595 -1.914 19340 2980 1 6 . 1 1 91 91 THR HA H 91 4.182 4.182 4.280 -0.098 19340 2981 1 6 . 1 1 91 91 THR CA C 91 64.750 64.750 64.284 0.466 19340 2982 1 6 . 1 1 91 91 THR CB C 91 69.055 69.055 68.673 0.382 19340 2983 1 6 . 1 1 91 91 THR H H 91 8.335 8.335 7.975 0.360 19340 2984 1 6 . 1 1 92 92 SER N N 92 114.236 114.236 116.839 -2.603 19340 2985 1 6 . 1 1 92 92 SER HA H 92 4.668 4.668 4.660 0.008 19340 2986 1 6 . 1 1 92 92 SER CA C 92 58.460 58.460 58.223 0.237 19340 2987 1 6 . 1 1 92 92 SER CB C 92 64.433 64.433 63.639 0.794 19340 2988 1 6 . 1 1 92 92 SER H H 92 7.642 7.642 7.606 0.036 19340 2989 1 6 . 1 1 93 93 ILE N N 93 122.128 122.128 123.136 -1.008 19340 2990 1 6 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.694 0.119 19340 2991 1 6 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.055 0.075 19340 2992 1 6 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.246 0.953 19340 2993 1 6 . 1 1 93 93 ILE H H 93 7.276 7.276 7.222 0.054 19340 2994 1 6 . 1 1 94 94 GLY N N 94 108.426 108.426 107.272 1.154 19340 2995 1 6 . 1 1 94 94 GLY CA C 94 46.999 46.999 46.875 0.124 19340 2996 1 6 . 1 1 94 94 GLY H H 94 8.756 8.756 8.478 0.278 19340 2997 1 6 . 1 1 95 95 LEU N N 95 123.674 123.674 122.693 0.981 19340 2998 1 6 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.131 0.151 19340 2999 1 6 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.598 0.431 19340 3000 1 6 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.795 -0.533 19340 3001 1 6 . 1 1 95 95 LEU H H 95 7.568 7.568 7.313 0.255 19340 3002 1 6 . 1 1 96 96 THR N N 96 119.717 119.717 115.866 3.851 19340 3003 1 6 . 1 1 96 96 THR HA H 96 3.837 3.837 3.863 -0.026 19340 3004 1 6 . 1 1 96 96 THR CA C 96 66.683 66.683 67.339 -0.656 19340 3005 1 6 . 1 1 96 96 THR CB C 96 67.969 67.969 68.592 -0.623 19340 3006 1 6 . 1 1 96 96 THR H H 96 8.430 8.430 8.692 -0.262 19340 3007 1 6 . 1 1 97 97 SER N N 97 117.285 117.285 116.470 0.815 19340 3008 1 6 . 1 1 97 97 SER HA H 97 4.094 4.094 4.042 0.052 19340 3009 1 6 . 1 1 97 97 SER CA C 97 62.507 62.507 61.627 0.880 19340 3010 1 6 . 1 1 97 97 SER CB C 97 62.845 62.845 62.943 -0.098 19340 3011 1 6 . 1 1 97 97 SER H H 97 9.000 9.000 8.225 0.775 19340 3012 1 6 . 1 1 98 98 ASN N N 98 121.846 121.846 119.203 2.643 19340 3013 1 6 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.518 -0.130 19340 3014 1 6 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.346 1.536 19340 3015 1 6 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.482 0.352 19340 3016 1 6 . 1 1 98 98 ASN H H 98 7.939 7.939 7.667 0.272 19340 3017 1 6 . 1 1 99 99 SER N N 99 117.585 117.585 117.513 0.072 19340 3018 1 6 . 1 1 99 99 SER HA H 99 4.204 4.204 4.137 0.067 19340 3019 1 6 . 1 1 99 99 SER CA C 99 62.886 62.886 62.058 0.828 19340 3020 1 6 . 1 1 99 99 SER CB C 99 62.984 62.984 62.895 0.089 19340 3021 1 6 . 1 1 99 99 SER H H 99 8.370 8.370 7.670 0.700 19340 3022 1 6 . 1 1 100 100 VAL N N 100 121.524 121.524 119.250 2.274 19340 3023 1 6 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.027 0.524 19340 3024 1 6 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.076 1.875 19340 3025 1 6 . 1 1 100 100 VAL CB C 100 31.654 31.654 30.821 0.833 19340 3026 1 6 . 1 1 100 100 VAL H H 100 8.565 8.565 7.680 0.885 19340 3027 1 6 . 1 1 101 101 SER N N 101 113.005 113.005 116.312 -3.307 19340 3028 1 6 . 1 1 101 101 SER HA H 101 3.875 3.875 4.092 -0.217 19340 3029 1 6 . 1 1 101 101 SER CA C 101 62.326 62.326 62.390 -0.064 19340 3030 1 6 . 1 1 101 101 SER CB C 101 63.263 63.263 62.943 0.320 19340 3031 1 6 . 1 1 101 101 SER H H 101 8.272 8.272 7.734 0.538 19340 3032 1 6 . 1 1 102 102 LYS N N 102 119.357 119.357 120.665 -1.308 19340 3033 1 6 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.159 -0.139 19340 3034 1 6 . 1 1 102 102 LYS CA C 102 59.599 59.599 58.980 0.619 19340 3035 1 6 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.465 0.678 19340 3036 1 6 . 1 1 102 102 LYS H H 102 7.953 7.953 7.707 0.246 19340 3037 1 6 . 1 1 103 103 ALA N N 103 120.882 120.882 123.228 -2.346 19340 3038 1 6 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.127 0.116 19340 3039 1 6 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.107 -0.520 19340 3040 1 6 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.570 2.056 19340 3041 1 6 . 1 1 103 103 ALA H H 103 8.049 8.049 8.188 -0.139 19340 3042 1 6 . 1 1 104 104 VAL N N 104 116.191 116.191 119.014 -2.823 19340 3043 1 6 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.658 -0.409 19340 3044 1 6 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.969 0.145 19340 3045 1 6 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.761 -0.747 19340 3046 1 6 . 1 1 104 104 VAL H H 104 8.572 8.572 8.647 -0.075 19340 3047 1 6 . 1 1 105 105 ALA N N 105 121.884 121.884 120.282 1.602 19340 3048 1 6 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.267 -0.376 19340 3049 1 6 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.414 0.889 19340 3050 1 6 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.399 0.083 19340 3051 1 6 . 1 1 105 105 ALA H H 105 8.347 8.347 7.612 0.736 19340 3052 1 6 . 1 1 106 106 GLN N N 106 113.657 113.657 118.485 -4.828 19340 3053 1 6 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.173 -0.142 19340 3054 1 6 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.255 0.092 19340 3055 1 6 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.011 6.236 19340 3056 1 6 . 1 1 106 106 GLN H H 106 7.838 7.838 7.932 -0.094 19340 3057 1 6 . 1 1 107 107 ALA N N 107 117.818 117.818 120.961 -3.143 19340 3058 1 6 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.410 -0.156 19340 3059 1 6 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.882 0.273 19340 3060 1 6 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.154 3.004 19340 3061 1 6 . 1 1 107 107 ALA H H 107 8.145 8.145 7.920 0.225 19340 3062 1 6 . 1 1 108 108 LEU N N 108 113.428 113.428 118.620 -5.192 19340 3063 1 6 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.251 0.171 19340 3064 1 6 . 1 1 108 108 LEU CA C 108 54.405 54.405 56.047 -1.642 19340 3065 1 6 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.431 0.224 19340 3066 1 6 . 1 1 108 108 LEU H H 108 8.341 8.341 8.068 0.273 19340 3067 1 7 . 1 1 2 2 SER N N 2 117.112 117.112 116.644 0.468 19340 3068 1 7 . 1 1 2 2 SER HA H 2 4.500 4.500 4.167 0.333 19340 3069 1 7 . 1 1 2 2 SER CA C 2 58.547 58.547 57.872 0.675 19340 3070 1 7 . 1 1 2 2 SER CB C 2 63.820 63.820 64.210 -0.390 19340 3071 1 7 . 1 1 2 2 SER H H 2 8.748 8.748 8.169 0.579 19340 3072 1 7 . 1 1 3 3 PHE N N 3 123.783 123.783 121.680 2.103 19340 3073 1 7 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.555 -0.334 19340 3074 1 7 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.942 2.149 19340 3075 1 7 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.820 0.047 19340 3076 1 7 . 1 1 3 3 PHE H H 3 8.398 8.398 8.668 -0.270 19340 3077 1 7 . 1 1 4 4 GLY N N 4 106.435 106.435 107.232 -0.797 19340 3078 1 7 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.485 0.734 19340 3079 1 7 . 1 1 4 4 GLY H H 4 8.699 8.699 8.146 0.553 19340 3080 1 7 . 1 1 5 5 LEU N N 5 121.041 121.041 119.627 1.414 19340 3081 1 7 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.246 -0.115 19340 3082 1 7 . 1 1 5 5 LEU CA C 5 57.606 57.606 56.787 0.819 19340 3083 1 7 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.525 0.266 19340 3084 1 7 . 1 1 5 5 LEU H H 5 7.590 7.590 7.404 0.186 19340 3085 1 7 . 1 1 6 6 VAL N N 6 118.980 118.980 114.245 4.735 19340 3086 1 7 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.792 -0.091 19340 3087 1 7 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.411 0.357 19340 3088 1 7 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.771 0.552 19340 3089 1 7 . 1 1 6 6 VAL H H 6 7.630 7.630 7.542 0.088 19340 3090 1 7 . 1 1 7 7 LEU N N 7 120.127 120.127 116.507 3.620 19340 3091 1 7 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.213 0.047 19340 3092 1 7 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.493 0.578 19340 3093 1 7 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.636 0.155 19340 3094 1 7 . 1 1 7 7 LEU H H 7 8.171 8.171 7.486 0.685 19340 3095 1 7 . 1 1 8 8 ASN N N 8 114.592 114.592 115.947 -1.355 19340 3096 1 7 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.706 0.118 19340 3097 1 7 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.416 -0.693 19340 3098 1 7 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.499 -0.158 19340 3099 1 7 . 1 1 8 8 ASN H H 8 7.602 7.602 7.544 0.058 19340 3100 1 7 . 1 1 9 9 SER N N 9 116.029 116.029 116.892 -0.863 19340 3101 1 7 . 1 1 9 9 SER HA H 9 4.690 4.690 4.492 0.198 19340 3102 1 7 . 1 1 9 9 SER CA C 9 56.675 56.675 58.010 -1.335 19340 3103 1 7 . 1 1 9 9 SER CB C 9 64.210 64.210 63.624 0.586 19340 3104 1 7 . 1 1 9 9 SER H H 9 7.186 7.186 7.833 -0.647 19340 3105 1 7 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.462 -0.023 19340 3106 1 7 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.410 0.297 19340 3107 1 7 . 1 1 10 10 PRO CB C 10 32.044 32.044 31.933 0.110 19340 3108 1 7 . 1 1 11 11 ASN N N 11 114.702 114.702 112.899 1.803 19340 3109 1 7 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.834 0.225 19340 3110 1 7 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.833 0.933 19340 3111 1 7 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.116 2.171 19340 3112 1 7 . 1 1 11 11 ASN H H 11 8.150 8.150 7.786 0.364 19340 3113 1 7 . 1 1 12 12 GLY N N 12 122.938 122.938 108.988 13.950 19340 3114 1 7 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.862 -1.741 19340 3115 1 7 . 1 1 12 12 GLY H H 12 7.324 7.324 7.745 -0.421 19340 3116 1 7 . 1 1 13 13 LEU N N 13 124.662 124.662 120.296 4.366 19340 3117 1 7 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.570 -0.841 19340 3118 1 7 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.301 2.719 19340 3119 1 7 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.297 1.388 19340 3120 1 7 . 1 1 13 13 LEU H H 13 9.253 9.253 8.158 1.095 19340 3121 1 7 . 1 1 14 14 ARG N N 14 113.071 113.071 119.395 -6.324 19340 3122 1 7 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.226 0.062 19340 3123 1 7 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.214 -0.824 19340 3124 1 7 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.415 -0.376 19340 3125 1 7 . 1 1 14 14 ARG H H 14 8.168 8.168 7.958 0.210 19340 3126 1 7 . 1 1 15 15 SER N N 15 118.055 118.055 113.832 4.223 19340 3127 1 7 . 1 1 15 15 SER HA H 15 4.690 4.690 4.696 -0.006 19340 3128 1 7 . 1 1 15 15 SER CA C 15 57.520 57.520 57.793 -0.273 19340 3129 1 7 . 1 1 15 15 SER CB C 15 65.463 65.463 64.153 1.310 19340 3130 1 7 . 1 1 15 15 SER H H 15 8.264 8.264 7.707 0.557 19340 3131 1 7 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.313 0.064 19340 3132 1 7 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.019 0.335 19340 3133 1 7 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.964 -0.198 19340 3134 1 7 . 1 1 17 17 GLN N N 17 117.374 117.374 117.957 -0.583 19340 3135 1 7 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.034 0.081 19340 3136 1 7 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.845 0.426 19340 3137 1 7 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.147 0.747 19340 3138 1 7 . 1 1 17 17 GLN H H 17 8.661 8.661 8.816 -0.155 19340 3139 1 7 . 1 1 18 18 ALA N N 18 122.904 122.904 122.826 0.078 19340 3140 1 7 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.101 -0.232 19340 3141 1 7 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.524 0.865 19340 3142 1 7 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.372 0.945 19340 3143 1 7 . 1 1 18 18 ALA H H 18 7.785 7.785 8.109 -0.324 19340 3144 1 7 . 1 1 19 19 LYS N N 19 116.947 116.947 119.108 -2.161 19340 3145 1 7 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.040 -0.288 19340 3146 1 7 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.233 1.497 19340 3147 1 7 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.288 -0.689 19340 3148 1 7 . 1 1 19 19 LYS H H 19 7.410 7.410 7.503 -0.093 19340 3149 1 7 . 1 1 20 20 ALA N N 20 119.887 119.887 122.000 -2.113 19340 3150 1 7 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.023 0.148 19340 3151 1 7 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.028 -0.019 19340 3152 1 7 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.487 -0.200 19340 3153 1 7 . 1 1 20 20 ALA H H 20 7.362 7.362 7.603 -0.241 19340 3154 1 7 . 1 1 21 21 ARG N N 21 118.182 118.182 118.715 -0.533 19340 3155 1 7 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.028 0.020 19340 3156 1 7 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.260 1.332 19340 3157 1 7 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.287 1.729 19340 3158 1 7 . 1 1 21 21 ARG H H 21 7.502 7.502 7.593 -0.091 19340 3159 1 7 . 1 1 22 22 ILE N N 22 122.484 122.484 119.900 2.584 19340 3160 1 7 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.704 -0.159 19340 3161 1 7 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.242 0.768 19340 3162 1 7 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.509 0.495 19340 3163 1 7 . 1 1 22 22 ILE H H 22 9.258 9.258 7.994 1.264 19340 3164 1 7 . 1 1 23 23 ASN N N 23 119.721 119.721 118.610 1.111 19340 3165 1 7 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.337 -0.060 19340 3166 1 7 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.876 0.282 19340 3167 1 7 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.334 0.617 19340 3168 1 7 . 1 1 23 23 ASN H H 23 8.395 8.395 7.970 0.425 19340 3169 1 7 . 1 1 24 24 ASN N N 24 117.554 117.554 118.338 -0.784 19340 3170 1 7 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.501 -0.006 19340 3171 1 7 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.712 0.747 19340 3172 1 7 . 1 1 24 24 ASN CB C 24 37.954 37.954 37.981 -0.027 19340 3173 1 7 . 1 1 24 24 ASN H H 24 8.002 8.002 7.653 0.349 19340 3174 1 7 . 1 1 25 25 LEU N N 25 123.367 123.367 121.896 1.471 19340 3175 1 7 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.131 0.023 19340 3176 1 7 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.524 -0.607 19340 3177 1 7 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.959 0.974 19340 3178 1 7 . 1 1 25 25 LEU H H 25 8.235 8.235 7.574 0.661 19340 3179 1 7 . 1 1 26 26 ALA N N 26 123.137 123.137 120.184 2.953 19340 3180 1 7 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.203 -0.334 19340 3181 1 7 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.821 0.887 19340 3182 1 7 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.188 -1.238 19340 3183 1 7 . 1 1 26 26 ALA H H 26 9.068 9.068 8.373 0.695 19340 3184 1 7 . 1 1 27 27 SER N N 27 113.809 113.809 113.073 0.736 19340 3185 1 7 . 1 1 27 27 SER HA H 27 4.182 4.182 4.480 -0.298 19340 3186 1 7 . 1 1 27 27 SER CA C 27 62.075 62.075 60.073 2.002 19340 3187 1 7 . 1 1 27 27 SER CB C 27 62.929 62.929 64.057 -1.128 19340 3188 1 7 . 1 1 27 27 SER H H 27 8.004 8.004 7.377 0.627 19340 3189 1 7 . 1 1 28 28 ALA N N 28 124.782 124.782 125.663 -0.881 19340 3190 1 7 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.058 0.146 19340 3191 1 7 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.239 0.021 19340 3192 1 7 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.426 -0.724 19340 3193 1 7 . 1 1 28 28 ALA H H 28 7.970 7.970 7.984 -0.014 19340 3194 1 7 . 1 1 29 29 LEU N N 29 117.907 117.907 117.693 0.214 19340 3195 1 7 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.860 -0.036 19340 3196 1 7 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.113 -0.118 19340 3197 1 7 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.402 1.124 19340 3198 1 7 . 1 1 29 29 LEU H H 29 8.960 8.960 8.730 0.230 19340 3199 1 7 . 1 1 30 30 SER N N 30 112.859 112.859 112.007 0.852 19340 3200 1 7 . 1 1 30 30 SER HA H 30 4.076 4.076 4.086 -0.010 19340 3201 1 7 . 1 1 30 30 SER CA C 30 61.998 61.998 60.827 1.171 19340 3202 1 7 . 1 1 30 30 SER CB C 30 63.012 63.012 62.910 0.102 19340 3203 1 7 . 1 1 30 30 SER H H 30 7.951 7.951 7.929 0.022 19340 3204 1 7 . 1 1 31 31 THR N N 31 109.820 109.820 115.642 -5.822 19340 3205 1 7 . 1 1 31 31 THR HA H 31 4.472 4.472 4.236 0.236 19340 3206 1 7 . 1 1 31 31 THR CA C 31 62.731 62.731 64.404 -1.673 19340 3207 1 7 . 1 1 31 31 THR CB C 31 69.362 69.362 69.134 0.228 19340 3208 1 7 . 1 1 31 31 THR H H 31 7.164 7.164 7.456 -0.292 19340 3209 1 7 . 1 1 32 32 ALA N N 32 122.926 122.926 122.873 0.053 19340 3210 1 7 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.323 0.104 19340 3211 1 7 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.504 -0.419 19340 3212 1 7 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.688 0.938 19340 3213 1 7 . 1 1 32 32 ALA H H 32 7.997 7.997 7.719 0.278 19340 3214 1 7 . 1 1 33 33 VAL N N 33 116.339 116.339 118.021 -1.682 19340 3215 1 7 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.127 0.334 19340 3216 1 7 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.943 -1.342 19340 3217 1 7 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.797 0.832 19340 3218 1 7 . 1 1 33 33 VAL H H 33 7.550 7.550 8.061 -0.511 19340 3219 1 7 . 1 1 34 34 GLY N N 34 113.114 113.114 114.011 -0.897 19340 3220 1 7 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.867 -0.598 19340 3221 1 7 . 1 1 34 34 GLY H H 34 7.886 7.886 8.561 -0.675 19340 3222 1 7 . 1 1 35 35 ARG N N 35 120.709 120.709 120.415 0.294 19340 3223 1 7 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.314 0.069 19340 3224 1 7 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.868 1.032 19340 3225 1 7 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.822 0.050 19340 3226 1 7 . 1 1 35 35 ARG H H 35 8.773 8.773 8.545 0.228 19340 3227 1 7 . 1 1 36 36 ASN N N 36 114.578 114.578 116.772 -2.194 19340 3228 1 7 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.735 0.089 19340 3229 1 7 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.297 0.797 19340 3230 1 7 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.269 0.348 19340 3231 1 7 . 1 1 36 36 ASN H H 36 8.628 8.628 7.984 0.644 19340 3232 1 7 . 1 1 37 37 GLY N N 37 108.462 108.462 110.044 -1.582 19340 3233 1 7 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.827 -1.110 19340 3234 1 7 . 1 1 37 37 GLY H H 37 7.880 7.880 7.998 -0.118 19340 3235 1 7 . 1 1 38 38 VAL N N 38 121.761 121.761 120.458 1.303 19340 3236 1 7 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.265 0.112 19340 3237 1 7 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.477 -0.411 19340 3238 1 7 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.152 -0.381 19340 3239 1 7 . 1 1 38 38 VAL H H 38 8.565 8.565 7.731 0.834 19340 3240 1 7 . 1 1 39 39 ASP N N 39 127.585 127.585 127.901 -0.316 19340 3241 1 7 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.889 -0.238 19340 3242 1 7 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.923 0.922 19340 3243 1 7 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.831 0.598 19340 3244 1 7 . 1 1 39 39 ASP H H 39 9.007 9.007 8.536 0.471 19340 3245 1 7 . 1 1 40 40 VAL N N 40 129.021 129.021 126.089 2.932 19340 3246 1 7 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.838 -0.343 19340 3247 1 7 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.695 1.704 19340 3248 1 7 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.700 0.651 19340 3249 1 7 . 1 1 40 40 VAL H H 40 8.632 8.632 8.473 0.159 19340 3250 1 7 . 1 1 41 41 ASN N N 41 122.301 122.301 118.090 4.211 19340 3251 1 7 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.352 0.098 19340 3252 1 7 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.699 0.312 19340 3253 1 7 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.198 -0.361 19340 3254 1 7 . 1 1 41 41 ASN H H 41 8.673 8.673 8.590 0.083 19340 3255 1 7 . 1 1 42 42 ALA N N 42 124.313 124.313 122.412 1.901 19340 3256 1 7 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.251 -0.053 19340 3257 1 7 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.609 0.262 19340 3258 1 7 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.549 0.128 19340 3259 1 7 . 1 1 42 42 ALA H H 42 8.420 8.420 7.718 0.703 19340 3260 1 7 . 1 1 43 43 PHE N N 43 119.198 119.198 119.730 -0.532 19340 3261 1 7 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.205 0.278 19340 3262 1 7 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.110 -0.943 19340 3263 1 7 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.517 0.657 19340 3264 1 7 . 1 1 43 43 PHE H H 43 8.611 8.611 8.806 -0.195 19340 3265 1 7 . 1 1 44 44 THR N N 44 116.700 116.700 114.199 2.501 19340 3266 1 7 . 1 1 44 44 THR HA H 44 4.349 4.349 3.755 0.594 19340 3267 1 7 . 1 1 44 44 THR CA C 44 68.443 68.443 65.697 2.746 19340 3268 1 7 . 1 1 44 44 THR CB C 44 68.248 68.248 68.358 -0.109 19340 3269 1 7 . 1 1 44 44 THR H H 44 8.881 8.881 8.730 0.151 19340 3270 1 7 . 1 1 45 45 SER N N 45 116.018 116.018 116.897 -0.879 19340 3271 1 7 . 1 1 45 45 SER HA H 45 4.117 4.117 4.187 -0.070 19340 3272 1 7 . 1 1 45 45 SER CA C 45 62.507 62.507 62.306 0.201 19340 3273 1 7 . 1 1 45 45 SER CB C 45 62.706 62.706 62.996 -0.290 19340 3274 1 7 . 1 1 45 45 SER H H 45 8.020 8.020 7.732 0.288 19340 3275 1 7 . 1 1 46 46 GLY N N 46 108.460 108.460 108.949 -0.489 19340 3276 1 7 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.753 0.353 19340 3277 1 7 . 1 1 46 46 GLY H H 46 7.871 7.871 7.731 0.140 19340 3278 1 7 . 1 1 47 47 LEU N N 47 123.148 123.148 122.384 0.764 19340 3279 1 7 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.970 -0.140 19340 3280 1 7 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.481 0.859 19340 3281 1 7 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.457 0.975 19340 3282 1 7 . 1 1 47 47 LEU H H 47 8.221 8.221 7.359 0.862 19340 3283 1 7 . 1 1 48 48 ARG N N 48 118.694 118.694 119.081 -0.387 19340 3284 1 7 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.962 -0.115 19340 3285 1 7 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.814 0.424 19340 3286 1 7 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.792 0.553 19340 3287 1 7 . 1 1 48 48 ARG H H 48 8.646 8.646 8.361 0.285 19340 3288 1 7 . 1 1 49 49 ALA N N 49 122.114 122.114 120.516 1.598 19340 3289 1 7 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.265 -0.106 19340 3290 1 7 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.980 0.228 19340 3291 1 7 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.160 -0.068 19340 3292 1 7 . 1 1 49 49 ALA H H 49 8.078 8.078 7.599 0.479 19340 3293 1 7 . 1 1 50 50 THR N N 50 115.708 115.708 116.526 -0.818 19340 3294 1 7 . 1 1 50 50 THR HA H 50 3.696 3.696 4.113 -0.417 19340 3295 1 7 . 1 1 50 50 THR CA C 50 67.692 67.692 66.254 1.438 19340 3296 1 7 . 1 1 50 50 THR CB C 50 68.599 68.599 68.666 -0.067 19340 3297 1 7 . 1 1 50 50 THR H H 50 7.577 7.577 7.605 -0.028 19340 3298 1 7 . 1 1 51 51 LEU N N 51 121.108 121.108 122.979 -1.871 19340 3299 1 7 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.105 -0.314 19340 3300 1 7 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.819 0.434 19340 3301 1 7 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.731 1.255 19340 3302 1 7 . 1 1 51 51 LEU H H 51 8.014 8.014 8.789 -0.775 19340 3303 1 7 . 1 1 52 52 SER N N 52 115.122 115.122 114.203 0.919 19340 3304 1 7 . 1 1 52 52 SER HA H 52 4.154 4.154 4.097 0.057 19340 3305 1 7 . 1 1 52 52 SER CA C 52 61.765 61.765 61.438 0.327 19340 3306 1 7 . 1 1 52 52 SER CB C 52 62.901 62.901 62.806 0.095 19340 3307 1 7 . 1 1 52 52 SER H H 52 8.442 8.442 7.907 0.535 19340 3308 1 7 . 1 1 53 53 ASN N N 53 119.438 119.438 119.950 -0.512 19340 3309 1 7 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.497 0.143 19340 3310 1 7 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.217 -0.224 19340 3311 1 7 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.802 0.706 19340 3312 1 7 . 1 1 53 53 ASN H H 53 7.705 7.705 7.734 -0.029 19340 3313 1 7 . 1 1 54 54 LEU N N 54 120.042 120.042 120.931 -0.889 19340 3314 1 7 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.190 0.003 19340 3315 1 7 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.639 -0.524 19340 3316 1 7 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.936 1.053 19340 3317 1 7 . 1 1 54 54 LEU H H 54 7.811 7.811 8.750 -0.939 19340 3318 1 7 . 1 1 55 55 GLY N N 55 109.450 109.450 105.459 3.991 19340 3319 1 7 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.394 1.282 19340 3320 1 7 . 1 1 55 55 GLY H H 55 8.074 8.074 8.303 -0.229 19340 3321 1 7 . 1 1 56 56 ASP N N 56 121.016 121.016 118.194 2.822 19340 3322 1 7 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.823 -0.066 19340 3323 1 7 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.498 1.313 19340 3324 1 7 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.333 -0.795 19340 3325 1 7 . 1 1 56 56 ASP H H 56 8.144 8.144 7.454 0.690 19340 3326 1 7 . 1 1 57 57 SER N N 57 113.978 113.978 115.138 -1.160 19340 3327 1 7 . 1 1 57 57 SER HA H 57 4.305 4.305 4.405 -0.100 19340 3328 1 7 . 1 1 57 57 SER CA C 57 60.031 60.031 60.096 -0.065 19340 3329 1 7 . 1 1 57 57 SER CB C 57 65.212 65.212 64.508 0.704 19340 3330 1 7 . 1 1 57 57 SER H H 57 7.742 7.742 7.889 -0.147 19340 3331 1 7 . 1 1 58 58 GLY N N 58 110.315 110.315 107.703 2.612 19340 3332 1 7 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.939 0.751 19340 3333 1 7 . 1 1 58 58 GLY H H 58 8.306 8.306 7.805 0.501 19340 3334 1 7 . 1 1 59 59 MET N N 59 120.024 120.024 116.948 3.076 19340 3335 1 7 . 1 1 59 59 MET HA H 59 4.416 4.416 4.870 -0.454 19340 3336 1 7 . 1 1 59 59 MET CA C 59 56.597 56.597 54.927 1.670 19340 3337 1 7 . 1 1 59 59 MET CB C 59 34.328 34.328 34.288 0.040 19340 3338 1 7 . 1 1 59 59 MET H H 59 7.686 7.686 7.465 0.221 19340 3339 1 7 . 1 1 60 60 SER N N 60 122.795 122.795 113.758 9.037 19340 3340 1 7 . 1 1 60 60 SER HA H 60 4.601 4.601 4.783 -0.182 19340 3341 1 7 . 1 1 60 60 SER CA C 60 57.598 57.598 54.980 2.618 19340 3342 1 7 . 1 1 60 60 SER CB C 60 62.511 62.511 65.445 -2.934 19340 3343 1 7 . 1 1 60 60 SER H H 60 9.088 9.088 8.412 0.676 19340 3344 1 7 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.496 -0.281 19340 3345 1 7 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.229 2.393 19340 3346 1 7 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.847 0.114 19340 3347 1 7 . 1 1 62 62 ASN N N 62 113.170 113.170 116.992 -3.822 19340 3348 1 7 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.713 -0.336 19340 3349 1 7 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.427 1.989 19340 3350 1 7 . 1 1 62 62 ASN CB C 62 38.004 38.004 40.123 -2.119 19340 3351 1 7 . 1 1 62 62 ASN H H 62 8.389 8.389 8.398 -0.009 19340 3352 1 7 . 1 1 63 63 GLU N N 63 120.222 120.222 120.829 -0.607 19340 3353 1 7 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.118 -0.366 19340 3354 1 7 . 1 1 63 63 GLU CA C 63 59.668 59.668 59.001 0.667 19340 3355 1 7 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.532 8.305 19340 3356 1 7 . 1 1 63 63 GLU H H 63 7.428 7.428 7.669 -0.241 19340 3357 1 7 . 1 1 64 64 ALA N N 64 120.568 120.568 121.963 -1.395 19340 3358 1 7 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.058 0.018 19340 3359 1 7 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.479 -0.659 19340 3360 1 7 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.619 -0.277 19340 3361 1 7 . 1 1 64 64 ALA H H 64 8.640 8.640 7.834 0.806 19340 3362 1 7 . 1 1 65 65 LYS N N 65 115.104 115.104 116.742 -1.638 19340 3363 1 7 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.003 -0.380 19340 3364 1 7 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.158 1.718 19340 3365 1 7 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.156 0.696 19340 3366 1 7 . 1 1 65 65 LYS H H 65 7.472 7.472 8.280 -0.808 19340 3367 1 7 . 1 1 66 66 VAL N N 66 116.911 116.911 118.995 -2.084 19340 3368 1 7 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.016 -0.465 19340 3369 1 7 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.544 2.760 19340 3370 1 7 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.057 -0.514 19340 3371 1 7 . 1 1 66 66 VAL H H 66 7.045 7.045 7.221 -0.176 19340 3372 1 7 . 1 1 67 67 GLU N N 67 120.755 120.755 119.929 0.826 19340 3373 1 7 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.161 -0.119 19340 3374 1 7 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.237 -0.828 19340 3375 1 7 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.491 3.445 19340 3376 1 7 . 1 1 67 67 GLU H H 67 8.439 8.439 8.640 -0.201 19340 3377 1 7 . 1 1 68 68 VAL N N 68 119.280 119.280 116.685 2.595 19340 3378 1 7 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.662 -0.307 19340 3379 1 7 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.312 1.121 19340 3380 1 7 . 1 1 68 68 VAL CB C 68 30.652 30.652 30.852 -0.200 19340 3381 1 7 . 1 1 68 68 VAL H H 68 8.473 8.473 8.072 0.401 19340 3382 1 7 . 1 1 69 69 LEU N N 69 117.578 117.578 119.809 -2.231 19340 3383 1 7 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.003 -0.045 19340 3384 1 7 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.477 0.880 19340 3385 1 7 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.274 0.824 19340 3386 1 7 . 1 1 69 69 LEU H H 69 7.292 7.292 7.681 -0.389 19340 3387 1 7 . 1 1 70 70 LEU N N 70 118.482 118.482 118.873 -0.391 19340 3388 1 7 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.916 0.065 19340 3389 1 7 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.127 0.247 19340 3390 1 7 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.879 0.302 19340 3391 1 7 . 1 1 70 70 LEU H H 70 8.237 8.237 7.594 0.643 19340 3392 1 7 . 1 1 71 71 GLU N N 71 123.582 123.582 120.234 3.348 19340 3393 1 7 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.960 -0.236 19340 3394 1 7 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.423 1.660 19340 3395 1 7 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.631 7.677 19340 3396 1 7 . 1 1 71 71 GLU H H 71 8.915 8.915 7.702 1.213 19340 3397 1 7 . 1 1 72 72 ALA N N 72 123.321 123.321 122.091 1.230 19340 3398 1 7 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.096 -0.032 19340 3399 1 7 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.266 0.435 19340 3400 1 7 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.598 -0.757 19340 3401 1 7 . 1 1 72 72 ALA H H 72 8.994 8.994 8.305 0.689 19340 3402 1 7 . 1 1 73 73 LEU N N 73 118.574 118.574 118.367 0.207 19340 3403 1 7 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.042 -0.084 19340 3404 1 7 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.551 0.685 19340 3405 1 7 . 1 1 73 73 LEU CB C 73 42.348 42.348 42.082 0.266 19340 3406 1 7 . 1 1 73 73 LEU H H 73 8.544 8.544 7.596 0.948 19340 3407 1 7 . 1 1 74 74 THR N N 74 115.785 115.785 116.278 -0.493 19340 3408 1 7 . 1 1 74 74 THR HA H 74 3.578 3.578 3.853 -0.275 19340 3409 1 7 . 1 1 74 74 THR CA C 74 68.727 68.727 67.378 1.349 19340 3410 1 7 . 1 1 74 74 THR CB C 74 67.691 67.691 68.542 -0.851 19340 3411 1 7 . 1 1 74 74 THR H H 74 8.137 8.137 7.972 0.165 19340 3412 1 7 . 1 1 75 75 ALA N N 75 123.543 123.543 123.255 0.288 19340 3413 1 7 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.335 -0.639 19340 3414 1 7 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.970 0.592 19340 3415 1 7 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.510 0.863 19340 3416 1 7 . 1 1 75 75 ALA H H 75 8.585 8.585 7.848 0.737 19340 3417 1 7 . 1 1 76 76 ALA N N 76 118.729 118.729 120.753 -2.024 19340 3418 1 7 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.018 -0.244 19340 3419 1 7 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.366 1.075 19340 3420 1 7 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.574 -0.426 19340 3421 1 7 . 1 1 76 76 ALA H H 76 8.199 8.199 7.242 0.957 19340 3422 1 7 . 1 1 77 77 LEU N N 77 117.321 117.321 119.488 -2.167 19340 3423 1 7 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.810 0.065 19340 3424 1 7 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.927 0.275 19340 3425 1 7 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.724 -1.102 19340 3426 1 7 . 1 1 77 77 LEU H H 77 8.265 8.265 8.795 -0.530 19340 3427 1 7 . 1 1 78 78 GLN N N 78 121.687 121.687 117.833 3.854 19340 3428 1 7 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.014 -0.201 19340 3429 1 7 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.410 0.223 19340 3430 1 7 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.307 4.132 19340 3431 1 7 . 1 1 78 78 GLN H H 78 8.776 8.776 8.029 0.747 19340 3432 1 7 . 1 1 79 79 LEU N N 79 120.042 120.042 120.674 -0.632 19340 3433 1 7 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.137 -0.129 19340 3434 1 7 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.483 0.254 19340 3435 1 7 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.216 0.327 19340 3436 1 7 . 1 1 79 79 LEU H H 79 7.990 7.990 7.321 0.669 19340 3437 1 7 . 1 1 80 80 LEU N N 80 122.157 122.157 120.282 1.875 19340 3438 1 7 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.003 -0.179 19340 3439 1 7 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.072 1.017 19340 3440 1 7 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.933 2.471 19340 3441 1 7 . 1 1 80 80 LEU H H 80 8.454 8.454 8.627 -0.173 19340 3442 1 7 . 1 1 81 81 SER N N 81 114.179 114.179 114.894 -0.715 19340 3443 1 7 . 1 1 81 81 SER HA H 81 3.897 3.897 4.247 -0.350 19340 3444 1 7 . 1 1 81 81 SER CA C 81 61.756 61.756 60.824 0.932 19340 3445 1 7 . 1 1 81 81 SER CB C 81 63.486 63.486 62.975 0.511 19340 3446 1 7 . 1 1 81 81 SER H H 81 8.006 8.006 7.881 0.125 19340 3447 1 7 . 1 1 82 82 SER N N 82 113.392 113.392 114.563 -1.171 19340 3448 1 7 . 1 1 82 82 SER HA H 82 4.718 4.718 4.663 0.055 19340 3449 1 7 . 1 1 82 82 SER CA C 82 57.718 57.718 57.606 0.112 19340 3450 1 7 . 1 1 82 82 SER CB C 82 64.377 64.377 64.262 0.115 19340 3451 1 7 . 1 1 82 82 SER H H 82 7.160 7.160 8.181 -1.021 19340 3452 1 7 . 1 1 83 83 SER N N 83 117.607 117.607 119.501 -1.894 19340 3453 1 7 . 1 1 83 83 SER HA H 83 4.885 4.885 4.670 0.215 19340 3454 1 7 . 1 1 83 83 SER CA C 83 59.263 59.263 58.413 0.850 19340 3455 1 7 . 1 1 83 83 SER CB C 83 65.352 65.352 64.444 0.908 19340 3456 1 7 . 1 1 83 83 SER H H 83 7.369 7.369 7.832 -0.463 19340 3457 1 7 . 1 1 84 84 THR N N 84 117.656 117.656 115.670 1.986 19340 3458 1 7 . 1 1 84 84 THR HA H 84 4.545 4.545 4.462 0.083 19340 3459 1 7 . 1 1 84 84 THR CA C 84 62.006 62.006 62.422 -0.416 19340 3460 1 7 . 1 1 84 84 THR CB C 84 69.724 69.724 69.312 0.412 19340 3461 1 7 . 1 1 84 84 THR H H 84 8.488 8.488 8.084 0.404 19340 3462 1 7 . 1 1 85 85 LEU N N 85 130.429 130.429 119.636 10.793 19340 3463 1 7 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.091 0.197 19340 3464 1 7 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.236 1.059 19340 3465 1 7 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.458 1.932 19340 3466 1 7 . 1 1 85 85 LEU H H 85 8.878 8.878 7.693 1.185 19340 3467 1 7 . 1 1 86 86 GLY N N 86 112.150 112.150 107.113 5.037 19340 3468 1 7 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.612 -1.810 19340 3469 1 7 . 1 1 86 86 GLY H H 86 7.901 7.901 8.893 -0.992 19340 3470 1 7 . 1 1 87 87 ALA N N 87 122.559 122.559 122.451 0.108 19340 3471 1 7 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.477 -0.193 19340 3472 1 7 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.104 -0.149 19340 3473 1 7 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.706 -0.361 19340 3474 1 7 . 1 1 87 87 ALA H H 87 8.113 8.113 7.596 0.517 19340 3475 1 7 . 1 1 88 88 VAL N N 88 122.375 122.375 117.907 4.468 19340 3476 1 7 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.285 -0.478 19340 3477 1 7 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.684 0.280 19340 3478 1 7 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.794 -0.165 19340 3479 1 7 . 1 1 88 88 VAL H H 88 8.447 8.447 8.317 0.130 19340 3480 1 7 . 1 1 89 89 ASP N N 89 127.408 127.408 119.462 7.946 19340 3481 1 7 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.479 0.379 19340 3482 1 7 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.756 -2.154 19340 3483 1 7 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.816 1.001 19340 3484 1 7 . 1 1 89 89 ASP H H 89 8.570 8.570 8.445 0.125 19340 3485 1 7 . 1 1 90 90 THR N N 90 116.481 116.481 109.698 6.783 19340 3486 1 7 . 1 1 90 90 THR HA H 90 3.953 3.953 4.110 -0.157 19340 3487 1 7 . 1 1 90 90 THR CA C 90 63.879 63.879 64.118 -0.239 19340 3488 1 7 . 1 1 90 90 THR CB C 90 68.833 68.833 69.102 -0.269 19340 3489 1 7 . 1 1 90 90 THR H H 90 8.539 8.539 8.302 0.237 19340 3490 1 7 . 1 1 91 91 THR N N 91 114.681 114.681 115.545 -0.864 19340 3491 1 7 . 1 1 91 91 THR HA H 91 4.182 4.182 4.278 -0.096 19340 3492 1 7 . 1 1 91 91 THR CA C 91 64.750 64.750 64.186 0.564 19340 3493 1 7 . 1 1 91 91 THR CB C 91 69.055 69.055 68.727 0.328 19340 3494 1 7 . 1 1 91 91 THR H H 91 8.335 8.335 7.928 0.407 19340 3495 1 7 . 1 1 92 92 SER N N 92 114.236 114.236 117.022 -2.786 19340 3496 1 7 . 1 1 92 92 SER HA H 92 4.668 4.668 4.614 0.054 19340 3497 1 7 . 1 1 92 92 SER CA C 92 58.460 58.460 58.446 0.014 19340 3498 1 7 . 1 1 92 92 SER CB C 92 64.433 64.433 63.457 0.976 19340 3499 1 7 . 1 1 92 92 SER H H 92 7.642 7.642 7.580 0.062 19340 3500 1 7 . 1 1 93 93 ILE N N 93 122.128 122.128 123.304 -1.176 19340 3501 1 7 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.732 0.081 19340 3502 1 7 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.119 0.011 19340 3503 1 7 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.246 0.953 19340 3504 1 7 . 1 1 93 93 ILE H H 93 7.276 7.276 7.140 0.136 19340 3505 1 7 . 1 1 94 94 GLY N N 94 108.426 108.426 107.135 1.291 19340 3506 1 7 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.233 -0.234 19340 3507 1 7 . 1 1 94 94 GLY H H 94 8.756 8.756 8.680 0.076 19340 3508 1 7 . 1 1 95 95 LEU N N 95 123.674 123.674 122.382 1.292 19340 3509 1 7 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.167 0.115 19340 3510 1 7 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.627 0.403 19340 3511 1 7 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.797 -0.535 19340 3512 1 7 . 1 1 95 95 LEU H H 95 7.568 7.568 7.532 0.036 19340 3513 1 7 . 1 1 96 96 THR N N 96 119.717 119.717 117.285 2.432 19340 3514 1 7 . 1 1 96 96 THR HA H 96 3.837 3.837 3.926 -0.089 19340 3515 1 7 . 1 1 96 96 THR CA C 96 66.683 66.683 67.385 -0.702 19340 3516 1 7 . 1 1 96 96 THR CB C 96 67.969 67.969 68.424 -0.455 19340 3517 1 7 . 1 1 96 96 THR H H 96 8.430 8.430 8.524 -0.094 19340 3518 1 7 . 1 1 97 97 SER N N 97 117.285 117.285 116.548 0.737 19340 3519 1 7 . 1 1 97 97 SER HA H 97 4.094 4.094 4.139 -0.045 19340 3520 1 7 . 1 1 97 97 SER CA C 97 62.507 62.507 61.805 0.702 19340 3521 1 7 . 1 1 97 97 SER CB C 97 62.845 62.845 63.086 -0.241 19340 3522 1 7 . 1 1 97 97 SER H H 97 9.000 9.000 8.747 0.253 19340 3523 1 7 . 1 1 98 98 ASN N N 98 121.846 121.846 119.337 2.509 19340 3524 1 7 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.615 -0.227 19340 3525 1 7 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.557 1.325 19340 3526 1 7 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.633 0.201 19340 3527 1 7 . 1 1 98 98 ASN H H 98 7.939 7.939 7.673 0.266 19340 3528 1 7 . 1 1 99 99 SER N N 99 117.585 117.585 117.587 -0.002 19340 3529 1 7 . 1 1 99 99 SER HA H 99 4.204 4.204 4.324 -0.120 19340 3530 1 7 . 1 1 99 99 SER CA C 99 62.886 62.886 62.181 0.705 19340 3531 1 7 . 1 1 99 99 SER CB C 99 62.984 62.984 63.168 -0.184 19340 3532 1 7 . 1 1 99 99 SER H H 99 8.370 8.370 8.156 0.214 19340 3533 1 7 . 1 1 100 100 VAL N N 100 121.524 121.524 119.344 2.180 19340 3534 1 7 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.897 -0.346 19340 3535 1 7 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.496 1.455 19340 3536 1 7 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.279 0.375 19340 3537 1 7 . 1 1 100 100 VAL H H 100 8.565 8.565 8.292 0.273 19340 3538 1 7 . 1 1 101 101 SER N N 101 113.005 113.005 116.091 -3.086 19340 3539 1 7 . 1 1 101 101 SER HA H 101 3.875 3.875 4.124 -0.249 19340 3540 1 7 . 1 1 101 101 SER CA C 101 62.326 62.326 61.538 0.788 19340 3541 1 7 . 1 1 101 101 SER CB C 101 63.263 63.263 62.800 0.463 19340 3542 1 7 . 1 1 101 101 SER H H 101 8.272 8.272 7.833 0.439 19340 3543 1 7 . 1 1 102 102 LYS N N 102 119.357 119.357 121.453 -2.096 19340 3544 1 7 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.103 -0.083 19340 3545 1 7 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.017 0.582 19340 3546 1 7 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.506 0.637 19340 3547 1 7 . 1 1 102 102 LYS H H 102 7.953 7.953 7.817 0.136 19340 3548 1 7 . 1 1 103 103 ALA N N 103 120.882 120.882 122.692 -1.810 19340 3549 1 7 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.991 0.252 19340 3550 1 7 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.868 -0.281 19340 3551 1 7 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.269 2.357 19340 3552 1 7 . 1 1 103 103 ALA H H 103 8.049 8.049 8.315 -0.266 19340 3553 1 7 . 1 1 104 104 VAL N N 104 116.191 116.191 118.879 -2.688 19340 3554 1 7 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.414 -0.165 19340 3555 1 7 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.588 0.526 19340 3556 1 7 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.695 -0.681 19340 3557 1 7 . 1 1 104 104 VAL H H 104 8.572 8.572 8.259 0.313 19340 3558 1 7 . 1 1 105 105 ALA N N 105 121.884 121.884 120.451 1.433 19340 3559 1 7 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.220 -0.329 19340 3560 1 7 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.376 0.927 19340 3561 1 7 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.352 0.130 19340 3562 1 7 . 1 1 105 105 ALA H H 105 8.347 8.347 7.730 0.617 19340 3563 1 7 . 1 1 106 106 GLN N N 106 113.657 113.657 118.527 -4.870 19340 3564 1 7 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.110 -0.079 19340 3565 1 7 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.382 -0.034 19340 3566 1 7 . 1 1 106 106 GLN CB C 106 35.247 35.247 28.992 6.255 19340 3567 1 7 . 1 1 106 106 GLN H H 106 7.838 7.838 7.886 -0.048 19340 3568 1 7 . 1 1 107 107 ALA N N 107 117.818 117.818 120.976 -3.158 19340 3569 1 7 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.308 -0.054 19340 3570 1 7 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.973 0.182 19340 3571 1 7 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.837 3.321 19340 3572 1 7 . 1 1 107 107 ALA H H 107 8.145 8.145 7.778 0.367 19340 3573 1 7 . 1 1 108 108 LEU N N 108 113.428 113.428 118.504 -5.076 19340 3574 1 7 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.215 0.207 19340 3575 1 7 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.914 -1.509 19340 3576 1 7 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.384 0.271 19340 3577 1 7 . 1 1 108 108 LEU H H 108 8.341 8.341 7.996 0.345 19340 3578 1 8 . 1 1 2 2 SER N N 2 117.112 117.112 116.321 0.791 19340 3579 1 8 . 1 1 2 2 SER HA H 2 4.500 4.500 4.049 0.451 19340 3580 1 8 . 1 1 2 2 SER CA C 2 58.547 58.547 57.938 0.609 19340 3581 1 8 . 1 1 2 2 SER CB C 2 63.820 63.820 64.209 -0.389 19340 3582 1 8 . 1 1 2 2 SER H H 2 8.748 8.748 8.041 0.707 19340 3583 1 8 . 1 1 3 3 PHE N N 3 123.783 123.783 121.940 1.843 19340 3584 1 8 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.524 -0.303 19340 3585 1 8 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.373 2.718 19340 3586 1 8 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.646 0.221 19340 3587 1 8 . 1 1 3 3 PHE H H 3 8.398 8.398 8.504 -0.106 19340 3588 1 8 . 1 1 4 4 GLY N N 4 106.435 106.435 108.325 -1.890 19340 3589 1 8 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.428 0.791 19340 3590 1 8 . 1 1 4 4 GLY H H 4 8.699 8.699 8.284 0.415 19340 3591 1 8 . 1 1 5 5 LEU N N 5 121.041 121.041 121.166 -0.125 19340 3592 1 8 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.276 -0.145 19340 3593 1 8 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.301 0.305 19340 3594 1 8 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.380 0.410 19340 3595 1 8 . 1 1 5 5 LEU H H 5 7.590 7.590 7.757 -0.167 19340 3596 1 8 . 1 1 6 6 VAL N N 6 118.980 118.980 115.241 3.739 19340 3597 1 8 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.766 -0.065 19340 3598 1 8 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.580 0.188 19340 3599 1 8 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.759 0.564 19340 3600 1 8 . 1 1 6 6 VAL H H 6 7.630 7.630 7.579 0.051 19340 3601 1 8 . 1 1 7 7 LEU N N 7 120.127 120.127 117.160 2.967 19340 3602 1 8 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.146 0.114 19340 3603 1 8 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.563 0.508 19340 3604 1 8 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.699 0.092 19340 3605 1 8 . 1 1 7 7 LEU H H 7 8.171 8.171 7.575 0.596 19340 3606 1 8 . 1 1 8 8 ASN N N 8 114.592 114.592 115.980 -1.388 19340 3607 1 8 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.618 0.206 19340 3608 1 8 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.639 -0.916 19340 3609 1 8 . 1 1 8 8 ASN CB C 8 39.341 39.341 38.962 0.380 19340 3610 1 8 . 1 1 8 8 ASN H H 8 7.602 7.602 7.578 0.024 19340 3611 1 8 . 1 1 9 9 SER N N 9 116.029 116.029 116.493 -0.464 19340 3612 1 8 . 1 1 9 9 SER HA H 9 4.690 4.690 4.517 0.173 19340 3613 1 8 . 1 1 9 9 SER CA C 9 56.675 56.675 57.606 -0.931 19340 3614 1 8 . 1 1 9 9 SER CB C 9 64.210 64.210 63.536 0.674 19340 3615 1 8 . 1 1 9 9 SER H H 9 7.186 7.186 7.848 -0.662 19340 3616 1 8 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.450 -0.011 19340 3617 1 8 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.524 0.183 19340 3618 1 8 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.073 -0.029 19340 3619 1 8 . 1 1 11 11 ASN N N 11 114.702 114.702 112.953 1.749 19340 3620 1 8 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.802 0.257 19340 3621 1 8 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.758 1.008 19340 3622 1 8 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.914 2.373 19340 3623 1 8 . 1 1 11 11 ASN H H 11 8.150 8.150 7.765 0.385 19340 3624 1 8 . 1 1 12 12 GLY N N 12 122.938 122.938 109.789 13.149 19340 3625 1 8 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.597 -2.476 19340 3626 1 8 . 1 1 12 12 GLY H H 12 7.324 7.324 7.763 -0.439 19340 3627 1 8 . 1 1 13 13 LEU N N 13 124.662 124.662 119.418 5.244 19340 3628 1 8 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.620 -0.891 19340 3629 1 8 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.198 2.822 19340 3630 1 8 . 1 1 13 13 LEU CB C 13 43.685 43.685 43.335 0.350 19340 3631 1 8 . 1 1 13 13 LEU H H 13 9.253 9.253 8.062 1.191 19340 3632 1 8 . 1 1 14 14 ARG N N 14 113.071 113.071 118.847 -5.776 19340 3633 1 8 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.217 0.071 19340 3634 1 8 . 1 1 14 14 ARG CA C 14 56.390 56.390 56.837 -0.447 19340 3635 1 8 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.366 -0.327 19340 3636 1 8 . 1 1 14 14 ARG H H 14 8.168 8.168 7.996 0.172 19340 3637 1 8 . 1 1 15 15 SER N N 15 118.055 118.055 114.868 3.187 19340 3638 1 8 . 1 1 15 15 SER HA H 15 4.690 4.690 4.683 0.007 19340 3639 1 8 . 1 1 15 15 SER CA C 15 57.520 57.520 57.465 0.055 19340 3640 1 8 . 1 1 15 15 SER CB C 15 65.463 65.463 64.501 0.961 19340 3641 1 8 . 1 1 15 15 SER H H 15 8.264 8.264 7.684 0.580 19340 3642 1 8 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.310 0.067 19340 3643 1 8 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.982 0.372 19340 3644 1 8 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.970 -0.204 19340 3645 1 8 . 1 1 17 17 GLN N N 17 117.374 117.374 117.932 -0.558 19340 3646 1 8 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.018 0.097 19340 3647 1 8 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.791 0.480 19340 3648 1 8 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.007 0.887 19340 3649 1 8 . 1 1 17 17 GLN H H 17 8.661 8.661 8.795 -0.134 19340 3650 1 8 . 1 1 18 18 ALA N N 18 122.904 122.904 122.616 0.288 19340 3651 1 8 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.072 -0.203 19340 3652 1 8 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.557 0.832 19340 3653 1 8 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.296 1.021 19340 3654 1 8 . 1 1 18 18 ALA H H 18 7.785 7.785 8.136 -0.351 19340 3655 1 8 . 1 1 19 19 LYS N N 19 116.947 116.947 119.024 -2.077 19340 3656 1 8 . 1 1 19 19 LYS HA H 19 3.752 3.752 3.964 -0.212 19340 3657 1 8 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.576 1.154 19340 3658 1 8 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.036 -0.437 19340 3659 1 8 . 1 1 19 19 LYS H H 19 7.410 7.410 7.452 -0.042 19340 3660 1 8 . 1 1 20 20 ALA N N 20 119.887 119.887 121.817 -1.930 19340 3661 1 8 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.089 0.082 19340 3662 1 8 . 1 1 20 20 ALA CA C 20 55.009 55.009 54.871 0.138 19340 3663 1 8 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.176 0.111 19340 3664 1 8 . 1 1 20 20 ALA H H 20 7.362 7.362 7.579 -0.217 19340 3665 1 8 . 1 1 21 21 ARG N N 21 118.182 118.182 118.346 -0.164 19340 3666 1 8 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.001 0.047 19340 3667 1 8 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.312 1.280 19340 3668 1 8 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.261 1.755 19340 3669 1 8 . 1 1 21 21 ARG H H 21 7.502 7.502 7.337 0.165 19340 3670 1 8 . 1 1 22 22 ILE N N 22 122.484 122.484 119.783 2.701 19340 3671 1 8 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.732 -0.187 19340 3672 1 8 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.160 0.850 19340 3673 1 8 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.475 0.529 19340 3674 1 8 . 1 1 22 22 ILE H H 22 9.258 9.258 8.196 1.062 19340 3675 1 8 . 1 1 23 23 ASN N N 23 119.721 119.721 118.511 1.210 19340 3676 1 8 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.311 -0.034 19340 3677 1 8 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.856 0.302 19340 3678 1 8 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.330 0.621 19340 3679 1 8 . 1 1 23 23 ASN H H 23 8.395 8.395 7.949 0.446 19340 3680 1 8 . 1 1 24 24 ASN N N 24 117.554 117.554 117.501 0.053 19340 3681 1 8 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.475 0.020 19340 3682 1 8 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.998 0.461 19340 3683 1 8 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.040 -0.086 19340 3684 1 8 . 1 1 24 24 ASN H H 24 8.002 8.002 7.672 0.330 19340 3685 1 8 . 1 1 25 25 LEU N N 25 123.367 123.367 121.700 1.667 19340 3686 1 8 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.038 0.116 19340 3687 1 8 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.117 -0.200 19340 3688 1 8 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.712 1.222 19340 3689 1 8 . 1 1 25 25 LEU H H 25 8.235 8.235 7.873 0.362 19340 3690 1 8 . 1 1 26 26 ALA N N 26 123.137 123.137 120.221 2.916 19340 3691 1 8 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.155 -0.286 19340 3692 1 8 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.748 0.960 19340 3693 1 8 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.352 -1.402 19340 3694 1 8 . 1 1 26 26 ALA H H 26 9.068 9.068 8.291 0.777 19340 3695 1 8 . 1 1 27 27 SER N N 27 113.809 113.809 112.602 1.207 19340 3696 1 8 . 1 1 27 27 SER HA H 27 4.182 4.182 4.393 -0.211 19340 3697 1 8 . 1 1 27 27 SER CA C 27 62.075 62.075 60.112 1.963 19340 3698 1 8 . 1 1 27 27 SER CB C 27 62.929 62.929 63.969 -1.040 19340 3699 1 8 . 1 1 27 27 SER H H 27 8.004 8.004 7.308 0.696 19340 3700 1 8 . 1 1 28 28 ALA N N 28 124.782 124.782 125.523 -0.741 19340 3701 1 8 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.040 0.164 19340 3702 1 8 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.216 0.044 19340 3703 1 8 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.386 -0.684 19340 3704 1 8 . 1 1 28 28 ALA H H 28 7.970 7.970 7.951 0.019 19340 3705 1 8 . 1 1 29 29 LEU N N 29 117.907 117.907 117.547 0.360 19340 3706 1 8 . 1 1 29 29 LEU HA H 29 3.824 3.824 4.002 -0.178 19340 3707 1 8 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.142 -0.148 19340 3708 1 8 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.463 1.063 19340 3709 1 8 . 1 1 29 29 LEU H H 29 8.960 8.960 8.739 0.221 19340 3710 1 8 . 1 1 30 30 SER N N 30 112.859 112.859 112.781 0.078 19340 3711 1 8 . 1 1 30 30 SER HA H 30 4.076 4.076 4.132 -0.056 19340 3712 1 8 . 1 1 30 30 SER CA C 30 61.998 61.998 60.927 1.071 19340 3713 1 8 . 1 1 30 30 SER CB C 30 63.012 63.012 63.018 -0.006 19340 3714 1 8 . 1 1 30 30 SER H H 30 7.951 7.951 7.897 0.054 19340 3715 1 8 . 1 1 31 31 THR N N 31 109.820 109.820 115.242 -5.422 19340 3716 1 8 . 1 1 31 31 THR HA H 31 4.472 4.472 4.303 0.169 19340 3717 1 8 . 1 1 31 31 THR CA C 31 62.731 62.731 63.919 -1.188 19340 3718 1 8 . 1 1 31 31 THR CB C 31 69.362 69.362 69.237 0.124 19340 3719 1 8 . 1 1 31 31 THR H H 31 7.164 7.164 7.618 -0.454 19340 3720 1 8 . 1 1 32 32 ALA N N 32 122.926 122.926 123.247 -0.321 19340 3721 1 8 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.352 0.075 19340 3722 1 8 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.583 -0.498 19340 3723 1 8 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.660 0.966 19340 3724 1 8 . 1 1 32 32 ALA H H 32 7.997 7.997 7.797 0.200 19340 3725 1 8 . 1 1 33 33 VAL N N 33 116.339 116.339 118.404 -2.065 19340 3726 1 8 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.186 0.275 19340 3727 1 8 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.121 -1.520 19340 3728 1 8 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.757 0.872 19340 3729 1 8 . 1 1 33 33 VAL H H 33 7.550 7.550 8.152 -0.602 19340 3730 1 8 . 1 1 34 34 GLY N N 34 113.114 113.114 114.036 -0.922 19340 3731 1 8 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.913 -0.643 19340 3732 1 8 . 1 1 34 34 GLY H H 34 7.886 7.886 8.562 -0.676 19340 3733 1 8 . 1 1 35 35 ARG N N 35 120.709 120.709 120.291 0.418 19340 3734 1 8 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.328 0.055 19340 3735 1 8 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.096 0.804 19340 3736 1 8 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.696 0.176 19340 3737 1 8 . 1 1 35 35 ARG H H 35 8.773 8.773 8.480 0.293 19340 3738 1 8 . 1 1 36 36 ASN N N 36 114.578 114.578 116.918 -2.340 19340 3739 1 8 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.743 0.081 19340 3740 1 8 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.525 0.569 19340 3741 1 8 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.752 -0.135 19340 3742 1 8 . 1 1 36 36 ASN H H 36 8.628 8.628 8.145 0.483 19340 3743 1 8 . 1 1 37 37 GLY N N 37 108.462 108.462 109.256 -0.794 19340 3744 1 8 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.565 -0.848 19340 3745 1 8 . 1 1 37 37 GLY H H 37 7.880 7.880 8.073 -0.193 19340 3746 1 8 . 1 1 38 38 VAL N N 38 121.761 121.761 120.349 1.412 19340 3747 1 8 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.307 0.070 19340 3748 1 8 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.498 -0.432 19340 3749 1 8 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.206 -0.435 19340 3750 1 8 . 1 1 38 38 VAL H H 38 8.565 8.565 7.666 0.899 19340 3751 1 8 . 1 1 39 39 ASP N N 39 127.585 127.585 128.032 -0.447 19340 3752 1 8 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.859 -0.208 19340 3753 1 8 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.044 0.801 19340 3754 1 8 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.844 0.584 19340 3755 1 8 . 1 1 39 39 ASP H H 39 9.007 9.007 8.563 0.444 19340 3756 1 8 . 1 1 40 40 VAL N N 40 129.021 129.021 125.969 3.052 19340 3757 1 8 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.722 -0.227 19340 3758 1 8 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.691 1.708 19340 3759 1 8 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.665 0.687 19340 3760 1 8 . 1 1 40 40 VAL H H 40 8.632 8.632 8.395 0.237 19340 3761 1 8 . 1 1 41 41 ASN N N 41 122.301 122.301 117.927 4.374 19340 3762 1 8 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.391 0.059 19340 3763 1 8 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.617 0.394 19340 3764 1 8 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.177 -0.340 19340 3765 1 8 . 1 1 41 41 ASN H H 41 8.673 8.673 8.551 0.122 19340 3766 1 8 . 1 1 42 42 ALA N N 42 124.313 124.313 122.377 1.936 19340 3767 1 8 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.210 -0.012 19340 3768 1 8 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.563 0.308 19340 3769 1 8 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.520 0.157 19340 3770 1 8 . 1 1 42 42 ALA H H 42 8.420 8.420 7.654 0.766 19340 3771 1 8 . 1 1 43 43 PHE N N 43 119.198 119.198 119.460 -0.262 19340 3772 1 8 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.146 0.337 19340 3773 1 8 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.568 -3.401 19340 3774 1 8 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.164 0.010 19340 3775 1 8 . 1 1 43 43 PHE H H 43 8.611 8.611 8.742 -0.131 19340 3776 1 8 . 1 1 44 44 THR N N 44 116.700 116.700 114.377 2.323 19340 3777 1 8 . 1 1 44 44 THR HA H 44 4.349 4.349 4.087 0.262 19340 3778 1 8 . 1 1 44 44 THR CA C 44 68.443 68.443 65.882 2.561 19340 3779 1 8 . 1 1 44 44 THR CB C 44 68.248 68.248 68.534 -0.286 19340 3780 1 8 . 1 1 44 44 THR H H 44 8.881 8.881 8.889 -0.008 19340 3781 1 8 . 1 1 45 45 SER N N 45 116.018 116.018 116.326 -0.308 19340 3782 1 8 . 1 1 45 45 SER HA H 45 4.117 4.117 4.211 -0.094 19340 3783 1 8 . 1 1 45 45 SER CA C 45 62.507 62.507 62.320 0.187 19340 3784 1 8 . 1 1 45 45 SER CB C 45 62.706 62.706 62.994 -0.288 19340 3785 1 8 . 1 1 45 45 SER H H 45 8.020 8.020 7.778 0.242 19340 3786 1 8 . 1 1 46 46 GLY N N 46 108.460 108.460 109.185 -0.725 19340 3787 1 8 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.669 0.437 19340 3788 1 8 . 1 1 46 46 GLY H H 46 7.871 7.871 7.452 0.419 19340 3789 1 8 . 1 1 47 47 LEU N N 47 123.148 123.148 122.231 0.917 19340 3790 1 8 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.868 -0.038 19340 3791 1 8 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.675 0.665 19340 3792 1 8 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.507 0.925 19340 3793 1 8 . 1 1 47 47 LEU H H 47 8.221 8.221 7.443 0.778 19340 3794 1 8 . 1 1 48 48 ARG N N 48 118.694 118.694 119.109 -0.415 19340 3795 1 8 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.998 -0.151 19340 3796 1 8 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.800 0.438 19340 3797 1 8 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.856 0.489 19340 3798 1 8 . 1 1 48 48 ARG H H 48 8.646 8.646 8.194 0.452 19340 3799 1 8 . 1 1 49 49 ALA N N 49 122.114 122.114 120.828 1.286 19340 3800 1 8 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.253 -0.094 19340 3801 1 8 . 1 1 49 49 ALA CA C 49 55.208 55.208 55.020 0.188 19340 3802 1 8 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.173 -0.081 19340 3803 1 8 . 1 1 49 49 ALA H H 49 8.078 8.078 7.571 0.507 19340 3804 1 8 . 1 1 50 50 THR N N 50 115.708 115.708 116.399 -0.691 19340 3805 1 8 . 1 1 50 50 THR HA H 50 3.696 3.696 4.048 -0.352 19340 3806 1 8 . 1 1 50 50 THR CA C 50 67.692 67.692 66.593 1.099 19340 3807 1 8 . 1 1 50 50 THR CB C 50 68.599 68.599 68.583 0.016 19340 3808 1 8 . 1 1 50 50 THR H H 50 7.577 7.577 8.213 -0.636 19340 3809 1 8 . 1 1 51 51 LEU N N 51 121.108 121.108 122.887 -1.779 19340 3810 1 8 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.120 -0.329 19340 3811 1 8 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.808 0.445 19340 3812 1 8 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.779 1.206 19340 3813 1 8 . 1 1 51 51 LEU H H 51 8.014 8.014 8.713 -0.699 19340 3814 1 8 . 1 1 52 52 SER N N 52 115.122 115.122 114.313 0.809 19340 3815 1 8 . 1 1 52 52 SER HA H 52 4.154 4.154 4.089 0.065 19340 3816 1 8 . 1 1 52 52 SER CA C 52 61.765 61.765 61.458 0.307 19340 3817 1 8 . 1 1 52 52 SER CB C 52 62.901 62.901 62.801 0.100 19340 3818 1 8 . 1 1 52 52 SER H H 52 8.442 8.442 7.934 0.508 19340 3819 1 8 . 1 1 53 53 ASN N N 53 119.438 119.438 119.851 -0.413 19340 3820 1 8 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.495 0.145 19340 3821 1 8 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.006 -0.013 19340 3822 1 8 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.748 0.760 19340 3823 1 8 . 1 1 53 53 ASN H H 53 7.705 7.705 7.957 -0.252 19340 3824 1 8 . 1 1 54 54 LEU N N 54 120.042 120.042 120.121 -0.079 19340 3825 1 8 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.293 -0.100 19340 3826 1 8 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.049 0.066 19340 3827 1 8 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.272 0.717 19340 3828 1 8 . 1 1 54 54 LEU H H 54 7.811 7.811 8.260 -0.449 19340 3829 1 8 . 1 1 55 55 GLY N N 55 109.450 109.450 106.418 3.032 19340 3830 1 8 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.502 1.174 19340 3831 1 8 . 1 1 55 55 GLY H H 55 8.074 8.074 8.184 -0.110 19340 3832 1 8 . 1 1 56 56 ASP N N 56 121.016 121.016 118.018 2.998 19340 3833 1 8 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.795 -0.038 19340 3834 1 8 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.653 1.158 19340 3835 1 8 . 1 1 56 56 ASP CB C 56 40.538 40.538 40.967 -0.429 19340 3836 1 8 . 1 1 56 56 ASP H H 56 8.144 8.144 7.317 0.827 19340 3837 1 8 . 1 1 57 57 SER N N 57 113.978 113.978 114.460 -0.482 19340 3838 1 8 . 1 1 57 57 SER HA H 57 4.305 4.305 4.471 -0.166 19340 3839 1 8 . 1 1 57 57 SER CA C 57 60.031 60.031 59.467 0.564 19340 3840 1 8 . 1 1 57 57 SER CB C 57 65.212 65.212 64.366 0.846 19340 3841 1 8 . 1 1 57 57 SER H H 57 7.742 7.742 7.811 -0.069 19340 3842 1 8 . 1 1 58 58 GLY N N 58 110.315 110.315 107.813 2.502 19340 3843 1 8 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.928 0.762 19340 3844 1 8 . 1 1 58 58 GLY H H 58 8.306 8.306 7.808 0.498 19340 3845 1 8 . 1 1 59 59 MET N N 59 120.024 120.024 116.586 3.438 19340 3846 1 8 . 1 1 59 59 MET HA H 59 4.416 4.416 4.768 -0.352 19340 3847 1 8 . 1 1 59 59 MET CA C 59 56.597 56.597 55.062 1.536 19340 3848 1 8 . 1 1 59 59 MET CB C 59 34.328 34.328 34.018 0.310 19340 3849 1 8 . 1 1 59 59 MET H H 59 7.686 7.686 7.384 0.302 19340 3850 1 8 . 1 1 60 60 SER N N 60 122.795 122.795 114.024 8.771 19340 3851 1 8 . 1 1 60 60 SER HA H 60 4.601 4.601 4.787 -0.186 19340 3852 1 8 . 1 1 60 60 SER CA C 60 57.598 57.598 54.668 2.930 19340 3853 1 8 . 1 1 60 60 SER CB C 60 62.511 62.511 65.183 -2.672 19340 3854 1 8 . 1 1 60 60 SER H H 60 9.088 9.088 8.312 0.776 19340 3855 1 8 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.530 -0.315 19340 3856 1 8 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.280 2.342 19340 3857 1 8 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.971 -0.010 19340 3858 1 8 . 1 1 62 62 ASN N N 62 113.170 113.170 116.429 -3.259 19340 3859 1 8 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.689 -0.312 19340 3860 1 8 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.203 1.212 19340 3861 1 8 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.950 -1.946 19340 3862 1 8 . 1 1 62 62 ASN H H 62 8.389 8.389 8.417 -0.028 19340 3863 1 8 . 1 1 63 63 GLU N N 63 120.222 120.222 120.732 -0.510 19340 3864 1 8 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.132 -0.380 19340 3865 1 8 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.645 1.023 19340 3866 1 8 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.207 8.630 19340 3867 1 8 . 1 1 63 63 GLU H H 63 7.428 7.428 7.638 -0.210 19340 3868 1 8 . 1 1 64 64 ALA N N 64 120.568 120.568 122.060 -1.492 19340 3869 1 8 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.047 0.029 19340 3870 1 8 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.452 -0.632 19340 3871 1 8 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.537 -0.195 19340 3872 1 8 . 1 1 64 64 ALA H H 64 8.640 8.640 7.832 0.808 19340 3873 1 8 . 1 1 65 65 LYS N N 65 115.104 115.104 116.796 -1.692 19340 3874 1 8 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.013 -0.390 19340 3875 1 8 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.246 1.630 19340 3876 1 8 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.198 0.654 19340 3877 1 8 . 1 1 65 65 LYS H H 65 7.472 7.472 8.246 -0.774 19340 3878 1 8 . 1 1 66 66 VAL N N 66 116.911 116.911 119.628 -2.717 19340 3879 1 8 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.960 -0.409 19340 3880 1 8 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.545 2.759 19340 3881 1 8 . 1 1 66 66 VAL CB C 66 31.543 31.543 31.979 -0.436 19340 3882 1 8 . 1 1 66 66 VAL H H 66 7.045 7.045 7.353 -0.308 19340 3883 1 8 . 1 1 67 67 GLU N N 67 120.755 120.755 119.914 0.841 19340 3884 1 8 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.089 -0.047 19340 3885 1 8 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.928 -1.519 19340 3886 1 8 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.703 3.232 19340 3887 1 8 . 1 1 67 67 GLU H H 67 8.439 8.439 8.648 -0.209 19340 3888 1 8 . 1 1 68 68 VAL N N 68 119.280 119.280 115.619 3.661 19340 3889 1 8 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.739 -0.384 19340 3890 1 8 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.230 1.203 19340 3891 1 8 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.026 -0.373 19340 3892 1 8 . 1 1 68 68 VAL H H 68 8.473 8.473 8.022 0.451 19340 3893 1 8 . 1 1 69 69 LEU N N 69 117.578 117.578 119.655 -2.077 19340 3894 1 8 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.002 -0.044 19340 3895 1 8 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.413 0.944 19340 3896 1 8 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.266 0.833 19340 3897 1 8 . 1 1 69 69 LEU H H 69 7.292 7.292 7.555 -0.263 19340 3898 1 8 . 1 1 70 70 LEU N N 70 118.482 118.482 118.857 -0.375 19340 3899 1 8 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.924 0.057 19340 3900 1 8 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.980 0.394 19340 3901 1 8 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.947 0.234 19340 3902 1 8 . 1 1 70 70 LEU H H 70 8.237 8.237 7.544 0.693 19340 3903 1 8 . 1 1 71 71 GLU N N 71 123.582 123.582 120.172 3.410 19340 3904 1 8 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.940 -0.216 19340 3905 1 8 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.262 1.821 19340 3906 1 8 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.611 7.697 19340 3907 1 8 . 1 1 71 71 GLU H H 71 8.915 8.915 7.797 1.118 19340 3908 1 8 . 1 1 72 72 ALA N N 72 123.321 123.321 121.928 1.393 19340 3909 1 8 . 1 1 72 72 ALA HA H 72 4.064 4.064 3.924 0.140 19340 3910 1 8 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.234 0.466 19340 3911 1 8 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.343 -0.503 19340 3912 1 8 . 1 1 72 72 ALA H H 72 8.994 8.994 8.292 0.702 19340 3913 1 8 . 1 1 73 73 LEU N N 73 118.574 118.574 118.390 0.184 19340 3914 1 8 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.056 -0.098 19340 3915 1 8 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.325 0.911 19340 3916 1 8 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.974 0.374 19340 3917 1 8 . 1 1 73 73 LEU H H 73 8.544 8.544 7.437 1.107 19340 3918 1 8 . 1 1 74 74 THR N N 74 115.785 115.785 116.226 -0.441 19340 3919 1 8 . 1 1 74 74 THR HA H 74 3.578 3.578 3.835 -0.257 19340 3920 1 8 . 1 1 74 74 THR CA C 74 68.727 68.727 67.334 1.393 19340 3921 1 8 . 1 1 74 74 THR CB C 74 67.691 67.691 68.485 -0.794 19340 3922 1 8 . 1 1 74 74 THR H H 74 8.137 8.137 7.774 0.363 19340 3923 1 8 . 1 1 75 75 ALA N N 75 123.543 123.543 123.140 0.403 19340 3924 1 8 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.352 -0.656 19340 3925 1 8 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.839 0.723 19340 3926 1 8 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.428 0.945 19340 3927 1 8 . 1 1 75 75 ALA H H 75 8.585 8.585 7.749 0.836 19340 3928 1 8 . 1 1 76 76 ALA N N 76 118.729 118.729 120.994 -2.265 19340 3929 1 8 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.054 -0.280 19340 3930 1 8 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.397 1.044 19340 3931 1 8 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.635 -0.487 19340 3932 1 8 . 1 1 76 76 ALA H H 76 8.199 8.199 7.222 0.977 19340 3933 1 8 . 1 1 77 77 LEU N N 77 117.321 117.321 119.529 -2.208 19340 3934 1 8 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.817 0.058 19340 3935 1 8 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.959 0.242 19340 3936 1 8 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.715 -1.093 19340 3937 1 8 . 1 1 77 77 LEU H H 77 8.265 8.265 8.809 -0.544 19340 3938 1 8 . 1 1 78 78 GLN N N 78 121.687 121.687 117.692 3.995 19340 3939 1 8 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.020 -0.207 19340 3940 1 8 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.378 0.255 19340 3941 1 8 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.321 4.118 19340 3942 1 8 . 1 1 78 78 GLN H H 78 8.776 8.776 7.928 0.848 19340 3943 1 8 . 1 1 79 79 LEU N N 79 120.042 120.042 120.721 -0.679 19340 3944 1 8 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.152 -0.144 19340 3945 1 8 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.463 0.273 19340 3946 1 8 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.245 0.298 19340 3947 1 8 . 1 1 79 79 LEU H H 79 7.990 7.990 7.326 0.664 19340 3948 1 8 . 1 1 80 80 LEU N N 80 122.157 122.157 120.278 1.879 19340 3949 1 8 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.023 -0.199 19340 3950 1 8 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.046 1.043 19340 3951 1 8 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.927 2.477 19340 3952 1 8 . 1 1 80 80 LEU H H 80 8.454 8.454 8.711 -0.257 19340 3953 1 8 . 1 1 81 81 SER N N 81 114.179 114.179 115.003 -0.824 19340 3954 1 8 . 1 1 81 81 SER HA H 81 3.897 3.897 4.245 -0.348 19340 3955 1 8 . 1 1 81 81 SER CA C 81 61.756 61.756 60.860 0.896 19340 3956 1 8 . 1 1 81 81 SER CB C 81 63.486 63.486 62.976 0.510 19340 3957 1 8 . 1 1 81 81 SER H H 81 8.006 8.006 7.904 0.102 19340 3958 1 8 . 1 1 82 82 SER N N 82 113.392 113.392 114.488 -1.096 19340 3959 1 8 . 1 1 82 82 SER HA H 82 4.718 4.718 4.714 0.004 19340 3960 1 8 . 1 1 82 82 SER CA C 82 57.718 57.718 57.779 -0.061 19340 3961 1 8 . 1 1 82 82 SER CB C 82 64.377 64.377 64.640 -0.263 19340 3962 1 8 . 1 1 82 82 SER H H 82 7.160 7.160 7.987 -0.827 19340 3963 1 8 . 1 1 83 83 SER N N 83 117.607 117.607 118.977 -1.370 19340 3964 1 8 . 1 1 83 83 SER HA H 83 4.885 4.885 4.611 0.274 19340 3965 1 8 . 1 1 83 83 SER CA C 83 59.263 59.263 58.124 1.139 19340 3966 1 8 . 1 1 83 83 SER CB C 83 65.352 65.352 64.628 0.724 19340 3967 1 8 . 1 1 83 83 SER H H 83 7.369 7.369 7.905 -0.536 19340 3968 1 8 . 1 1 84 84 THR N N 84 117.656 117.656 115.618 2.038 19340 3969 1 8 . 1 1 84 84 THR HA H 84 4.545 4.545 4.470 0.075 19340 3970 1 8 . 1 1 84 84 THR CA C 84 62.006 62.006 62.409 -0.403 19340 3971 1 8 . 1 1 84 84 THR CB C 84 69.724 69.724 69.332 0.392 19340 3972 1 8 . 1 1 84 84 THR H H 84 8.488 8.488 8.093 0.395 19340 3973 1 8 . 1 1 85 85 LEU N N 85 130.429 130.429 119.657 10.772 19340 3974 1 8 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.105 0.183 19340 3975 1 8 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.252 1.043 19340 3976 1 8 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.484 1.906 19340 3977 1 8 . 1 1 85 85 LEU H H 85 8.878 8.878 7.702 1.176 19340 3978 1 8 . 1 1 86 86 GLY N N 86 112.150 112.150 107.122 5.028 19340 3979 1 8 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.615 -1.813 19340 3980 1 8 . 1 1 86 86 GLY H H 86 7.901 7.901 8.896 -0.995 19340 3981 1 8 . 1 1 87 87 ALA N N 87 122.559 122.559 122.507 0.052 19340 3982 1 8 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.493 -0.209 19340 3983 1 8 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.126 -0.170 19340 3984 1 8 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.732 -0.387 19340 3985 1 8 . 1 1 87 87 ALA H H 87 8.113 8.113 7.608 0.505 19340 3986 1 8 . 1 1 88 88 VAL N N 88 122.375 122.375 118.208 4.167 19340 3987 1 8 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.275 -0.468 19340 3988 1 8 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.801 0.163 19340 3989 1 8 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.833 -0.204 19340 3990 1 8 . 1 1 88 88 VAL H H 88 8.447 8.447 8.337 0.110 19340 3991 1 8 . 1 1 89 89 ASP N N 89 127.408 127.408 119.382 8.026 19340 3992 1 8 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.460 0.398 19340 3993 1 8 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.517 -1.915 19340 3994 1 8 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.094 0.723 19340 3995 1 8 . 1 1 89 89 ASP H H 89 8.570 8.570 8.417 0.153 19340 3996 1 8 . 1 1 90 90 THR N N 90 116.481 116.481 109.983 6.498 19340 3997 1 8 . 1 1 90 90 THR HA H 90 3.953 3.953 4.093 -0.140 19340 3998 1 8 . 1 1 90 90 THR CA C 90 63.879 63.879 64.114 -0.235 19340 3999 1 8 . 1 1 90 90 THR CB C 90 68.833 68.833 69.099 -0.266 19340 4000 1 8 . 1 1 90 90 THR H H 90 8.539 8.539 8.292 0.247 19340 4001 1 8 . 1 1 91 91 THR N N 91 114.681 114.681 115.593 -0.912 19340 4002 1 8 . 1 1 91 91 THR HA H 91 4.182 4.182 4.281 -0.099 19340 4003 1 8 . 1 1 91 91 THR CA C 91 64.750 64.750 64.150 0.600 19340 4004 1 8 . 1 1 91 91 THR CB C 91 69.055 69.055 68.717 0.338 19340 4005 1 8 . 1 1 91 91 THR H H 91 8.335 8.335 7.936 0.399 19340 4006 1 8 . 1 1 92 92 SER N N 92 114.236 114.236 116.887 -2.651 19340 4007 1 8 . 1 1 92 92 SER HA H 92 4.668 4.668 4.615 0.053 19340 4008 1 8 . 1 1 92 92 SER CA C 92 58.460 58.460 58.555 -0.095 19340 4009 1 8 . 1 1 92 92 SER CB C 92 64.433 64.433 63.548 0.885 19340 4010 1 8 . 1 1 92 92 SER H H 92 7.642 7.642 7.626 0.016 19340 4011 1 8 . 1 1 93 93 ILE N N 93 122.128 122.128 123.230 -1.102 19340 4012 1 8 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.739 0.074 19340 4013 1 8 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.360 -0.230 19340 4014 1 8 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.227 0.972 19340 4015 1 8 . 1 1 93 93 ILE H H 93 7.276 7.276 7.170 0.106 19340 4016 1 8 . 1 1 94 94 GLY N N 94 108.426 108.426 107.119 1.307 19340 4017 1 8 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.192 -0.193 19340 4018 1 8 . 1 1 94 94 GLY H H 94 8.756 8.756 8.657 0.099 19340 4019 1 8 . 1 1 95 95 LEU N N 95 123.674 123.674 122.452 1.222 19340 4020 1 8 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.123 0.159 19340 4021 1 8 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.593 0.436 19340 4022 1 8 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.768 -0.506 19340 4023 1 8 . 1 1 95 95 LEU H H 95 7.568 7.568 7.429 0.139 19340 4024 1 8 . 1 1 96 96 THR N N 96 119.717 119.717 116.760 2.957 19340 4025 1 8 . 1 1 96 96 THR HA H 96 3.837 3.837 3.850 -0.013 19340 4026 1 8 . 1 1 96 96 THR CA C 96 66.683 66.683 67.396 -0.713 19340 4027 1 8 . 1 1 96 96 THR CB C 96 67.969 67.969 68.562 -0.593 19340 4028 1 8 . 1 1 96 96 THR H H 96 8.430 8.430 8.627 -0.197 19340 4029 1 8 . 1 1 97 97 SER N N 97 117.285 117.285 116.144 1.141 19340 4030 1 8 . 1 1 97 97 SER HA H 97 4.094 4.094 4.069 0.025 19340 4031 1 8 . 1 1 97 97 SER CA C 97 62.507 62.507 61.941 0.566 19340 4032 1 8 . 1 1 97 97 SER CB C 97 62.845 62.845 62.836 0.009 19340 4033 1 8 . 1 1 97 97 SER H H 97 9.000 9.000 8.682 0.318 19340 4034 1 8 . 1 1 98 98 ASN N N 98 121.846 121.846 119.318 2.528 19340 4035 1 8 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.540 -0.152 19340 4036 1 8 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.349 1.533 19340 4037 1 8 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.621 0.213 19340 4038 1 8 . 1 1 98 98 ASN H H 98 7.939 7.939 7.660 0.279 19340 4039 1 8 . 1 1 99 99 SER N N 99 117.585 117.585 116.956 0.629 19340 4040 1 8 . 1 1 99 99 SER HA H 99 4.204 4.204 4.193 0.011 19340 4041 1 8 . 1 1 99 99 SER CA C 99 62.886 62.886 61.815 1.071 19340 4042 1 8 . 1 1 99 99 SER CB C 99 62.984 62.984 63.140 -0.156 19340 4043 1 8 . 1 1 99 99 SER H H 99 8.370 8.370 8.187 0.183 19340 4044 1 8 . 1 1 100 100 VAL N N 100 121.524 121.524 119.425 2.099 19340 4045 1 8 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.260 0.291 19340 4046 1 8 . 1 1 100 100 VAL CA C 100 67.951 67.951 65.621 2.330 19340 4047 1 8 . 1 1 100 100 VAL CB C 100 31.654 31.654 29.955 1.699 19340 4048 1 8 . 1 1 100 100 VAL H H 100 8.565 8.565 8.079 0.486 19340 4049 1 8 . 1 1 101 101 SER N N 101 113.005 113.005 116.378 -3.373 19340 4050 1 8 . 1 1 101 101 SER HA H 101 3.875 3.875 4.114 -0.239 19340 4051 1 8 . 1 1 101 101 SER CA C 101 62.326 62.326 61.808 0.518 19340 4052 1 8 . 1 1 101 101 SER CB C 101 63.263 63.263 62.770 0.493 19340 4053 1 8 . 1 1 101 101 SER H H 101 8.272 8.272 7.749 0.523 19340 4054 1 8 . 1 1 102 102 LYS N N 102 119.357 119.357 121.385 -2.028 19340 4055 1 8 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.114 -0.094 19340 4056 1 8 . 1 1 102 102 LYS CA C 102 59.599 59.599 58.997 0.602 19340 4057 1 8 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.449 0.695 19340 4058 1 8 . 1 1 102 102 LYS H H 102 7.953 7.953 7.711 0.242 19340 4059 1 8 . 1 1 103 103 ALA N N 103 120.882 120.882 122.887 -2.005 19340 4060 1 8 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.148 0.095 19340 4061 1 8 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.069 -0.482 19340 4062 1 8 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.624 2.002 19340 4063 1 8 . 1 1 103 103 ALA H H 103 8.049 8.049 8.266 -0.217 19340 4064 1 8 . 1 1 104 104 VAL N N 104 116.191 116.191 118.697 -2.506 19340 4065 1 8 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.675 -0.426 19340 4066 1 8 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.883 0.231 19340 4067 1 8 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.898 -0.885 19340 4068 1 8 . 1 1 104 104 VAL H H 104 8.572 8.572 8.449 0.123 19340 4069 1 8 . 1 1 105 105 ALA N N 105 121.884 121.884 120.674 1.210 19340 4070 1 8 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.353 -0.462 19340 4071 1 8 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.226 1.077 19340 4072 1 8 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.450 0.032 19340 4073 1 8 . 1 1 105 105 ALA H H 105 8.347 8.347 7.822 0.525 19340 4074 1 8 . 1 1 106 106 GLN N N 106 113.657 113.657 118.836 -5.179 19340 4075 1 8 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.180 -0.149 19340 4076 1 8 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.241 0.107 19340 4077 1 8 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.108 6.139 19340 4078 1 8 . 1 1 106 106 GLN H H 106 7.838 7.838 7.956 -0.118 19340 4079 1 8 . 1 1 107 107 ALA N N 107 117.818 117.818 120.545 -2.727 19340 4080 1 8 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.386 -0.132 19340 4081 1 8 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.096 0.059 19340 4082 1 8 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.178 2.979 19340 4083 1 8 . 1 1 107 107 ALA H H 107 8.145 8.145 8.034 0.111 19340 4084 1 8 . 1 1 108 108 LEU N N 108 113.428 113.428 117.782 -4.354 19340 4085 1 8 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.317 0.105 19340 4086 1 8 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.290 -0.885 19340 4087 1 8 . 1 1 108 108 LEU CB C 108 42.655 42.655 43.015 -0.360 19340 4088 1 8 . 1 1 108 108 LEU H H 108 8.341 8.341 7.819 0.522 19340 4089 1 9 . 1 1 2 2 SER N N 2 117.112 117.112 113.808 3.304 19340 4090 1 9 . 1 1 2 2 SER HA H 2 4.500 4.500 4.087 0.413 19340 4091 1 9 . 1 1 2 2 SER CA C 2 58.547 58.547 58.210 0.337 19340 4092 1 9 . 1 1 2 2 SER CB C 2 63.820 63.820 63.763 0.057 19340 4093 1 9 . 1 1 2 2 SER H H 2 8.748 8.748 7.739 1.009 19340 4094 1 9 . 1 1 3 3 PHE N N 3 123.783 123.783 122.590 1.193 19340 4095 1 9 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.584 -0.363 19340 4096 1 9 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.703 2.388 19340 4097 1 9 . 1 1 3 3 PHE CB C 3 38.867 38.867 39.094 -0.227 19340 4098 1 9 . 1 1 3 3 PHE H H 3 8.398 8.398 8.623 -0.225 19340 4099 1 9 . 1 1 4 4 GLY N N 4 106.435 106.435 107.671 -1.236 19340 4100 1 9 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.197 1.022 19340 4101 1 9 . 1 1 4 4 GLY H H 4 8.699 8.699 8.023 0.676 19340 4102 1 9 . 1 1 5 5 LEU N N 5 121.041 121.041 119.522 1.519 19340 4103 1 9 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.299 -0.168 19340 4104 1 9 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.408 0.198 19340 4105 1 9 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.670 0.121 19340 4106 1 9 . 1 1 5 5 LEU H H 5 7.590 7.590 7.584 0.006 19340 4107 1 9 . 1 1 6 6 VAL N N 6 118.980 118.980 115.919 3.061 19340 4108 1 9 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.742 -0.041 19340 4109 1 9 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.957 -0.189 19340 4110 1 9 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.827 0.496 19340 4111 1 9 . 1 1 6 6 VAL H H 6 7.630 7.630 7.467 0.163 19340 4112 1 9 . 1 1 7 7 LEU N N 7 120.127 120.127 117.566 2.561 19340 4113 1 9 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.243 0.017 19340 4114 1 9 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.903 0.168 19340 4115 1 9 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.370 0.421 19340 4116 1 9 . 1 1 7 7 LEU H H 7 8.171 8.171 7.595 0.576 19340 4117 1 9 . 1 1 8 8 ASN N N 8 114.592 114.592 115.680 -1.088 19340 4118 1 9 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.749 0.075 19340 4119 1 9 . 1 1 8 8 ASN CA C 8 52.723 52.723 52.756 -0.033 19340 4120 1 9 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.292 0.049 19340 4121 1 9 . 1 1 8 8 ASN H H 8 7.602 7.602 7.583 0.019 19340 4122 1 9 . 1 1 9 9 SER N N 9 116.029 116.029 116.672 -0.643 19340 4123 1 9 . 1 1 9 9 SER HA H 9 4.690 4.690 4.533 0.157 19340 4124 1 9 . 1 1 9 9 SER CA C 9 56.675 56.675 57.554 -0.879 19340 4125 1 9 . 1 1 9 9 SER CB C 9 64.210 64.210 63.579 0.631 19340 4126 1 9 . 1 1 9 9 SER H H 9 7.186 7.186 7.722 -0.536 19340 4127 1 9 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.472 -0.033 19340 4128 1 9 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.485 0.222 19340 4129 1 9 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.062 -0.018 19340 4130 1 9 . 1 1 11 11 ASN N N 11 114.702 114.702 112.613 2.089 19340 4131 1 9 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.813 0.246 19340 4132 1 9 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.943 0.823 19340 4133 1 9 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.006 2.281 19340 4134 1 9 . 1 1 11 11 ASN H H 11 8.150 8.150 7.743 0.407 19340 4135 1 9 . 1 1 12 12 GLY N N 12 122.938 122.938 109.366 13.572 19340 4136 1 9 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.242 -2.121 19340 4137 1 9 . 1 1 12 12 GLY H H 12 7.324 7.324 7.708 -0.384 19340 4138 1 9 . 1 1 13 13 LEU N N 13 124.662 124.662 119.557 5.105 19340 4139 1 9 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.588 -0.859 19340 4140 1 9 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.044 2.977 19340 4141 1 9 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.856 0.829 19340 4142 1 9 . 1 1 13 13 LEU H H 13 9.253 9.253 8.148 1.105 19340 4143 1 9 . 1 1 14 14 ARG N N 14 113.071 113.071 118.713 -5.642 19340 4144 1 9 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.197 0.091 19340 4145 1 9 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.205 -0.815 19340 4146 1 9 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.486 -0.447 19340 4147 1 9 . 1 1 14 14 ARG H H 14 8.168 8.168 7.822 0.346 19340 4148 1 9 . 1 1 15 15 SER N N 15 118.055 118.055 113.992 4.063 19340 4149 1 9 . 1 1 15 15 SER HA H 15 4.690 4.690 4.698 -0.008 19340 4150 1 9 . 1 1 15 15 SER CA C 15 57.520 57.520 57.581 -0.061 19340 4151 1 9 . 1 1 15 15 SER CB C 15 65.463 65.463 64.561 0.902 19340 4152 1 9 . 1 1 15 15 SER H H 15 8.264 8.264 7.727 0.537 19340 4153 1 9 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.297 0.080 19340 4154 1 9 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.034 0.320 19340 4155 1 9 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.957 -0.191 19340 4156 1 9 . 1 1 17 17 GLN N N 17 117.374 117.374 117.557 -0.183 19340 4157 1 9 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.026 0.089 19340 4158 1 9 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.809 0.462 19340 4159 1 9 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.185 0.709 19340 4160 1 9 . 1 1 17 17 GLN H H 17 8.661 8.661 8.843 -0.182 19340 4161 1 9 . 1 1 18 18 ALA N N 18 122.904 122.904 122.413 0.491 19340 4162 1 9 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.019 -0.150 19340 4163 1 9 . 1 1 18 18 ALA CA C 18 55.389 55.389 55.071 0.318 19340 4164 1 9 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.388 0.929 19340 4165 1 9 . 1 1 18 18 ALA H H 18 7.785 7.785 7.712 0.073 19340 4166 1 9 . 1 1 19 19 LYS N N 19 116.947 116.947 119.192 -2.245 19340 4167 1 9 . 1 1 19 19 LYS HA H 19 3.752 3.752 3.990 -0.238 19340 4168 1 9 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.372 1.358 19340 4169 1 9 . 1 1 19 19 LYS CB C 19 31.599 31.599 31.914 -0.315 19340 4170 1 9 . 1 1 19 19 LYS H H 19 7.410 7.410 7.387 0.023 19340 4171 1 9 . 1 1 20 20 ALA N N 20 119.887 119.887 121.871 -1.984 19340 4172 1 9 . 1 1 20 20 ALA HA H 20 4.171 4.171 3.997 0.174 19340 4173 1 9 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.099 -0.090 19340 4174 1 9 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.442 -0.155 19340 4175 1 9 . 1 1 20 20 ALA H H 20 7.362 7.362 7.672 -0.310 19340 4176 1 9 . 1 1 21 21 ARG N N 21 118.182 118.182 118.647 -0.465 19340 4177 1 9 . 1 1 21 21 ARG HA H 21 4.048 4.048 3.995 0.053 19340 4178 1 9 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.225 1.367 19340 4179 1 9 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.236 1.780 19340 4180 1 9 . 1 1 21 21 ARG H H 21 7.502 7.502 7.490 0.012 19340 4181 1 9 . 1 1 22 22 ILE N N 22 122.484 122.484 119.866 2.618 19340 4182 1 9 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.695 -0.150 19340 4183 1 9 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.117 0.893 19340 4184 1 9 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.528 0.476 19340 4185 1 9 . 1 1 22 22 ILE H H 22 9.258 9.258 8.080 1.178 19340 4186 1 9 . 1 1 23 23 ASN N N 23 119.721 119.721 119.082 0.639 19340 4187 1 9 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.332 -0.055 19340 4188 1 9 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.723 0.435 19340 4189 1 9 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.388 0.563 19340 4190 1 9 . 1 1 23 23 ASN H H 23 8.395 8.395 7.942 0.453 19340 4191 1 9 . 1 1 24 24 ASN N N 24 117.554 117.554 118.375 -0.821 19340 4192 1 9 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.471 0.024 19340 4193 1 9 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.753 0.706 19340 4194 1 9 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.160 -0.206 19340 4195 1 9 . 1 1 24 24 ASN H H 24 8.002 8.002 7.665 0.337 19340 4196 1 9 . 1 1 25 25 LEU N N 25 123.367 123.367 121.940 1.427 19340 4197 1 9 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.041 0.113 19340 4198 1 9 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.292 -0.375 19340 4199 1 9 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.816 1.117 19340 4200 1 9 . 1 1 25 25 LEU H H 25 8.235 8.235 7.607 0.628 19340 4201 1 9 . 1 1 26 26 ALA N N 26 123.137 123.137 119.984 3.153 19340 4202 1 9 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.055 -0.186 19340 4203 1 9 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.814 0.894 19340 4204 1 9 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.131 -1.181 19340 4205 1 9 . 1 1 26 26 ALA H H 26 9.068 9.068 8.411 0.657 19340 4206 1 9 . 1 1 27 27 SER N N 27 113.809 113.809 113.206 0.603 19340 4207 1 9 . 1 1 27 27 SER HA H 27 4.182 4.182 4.443 -0.261 19340 4208 1 9 . 1 1 27 27 SER CA C 27 62.075 62.075 60.104 1.971 19340 4209 1 9 . 1 1 27 27 SER CB C 27 62.929 62.929 64.036 -1.107 19340 4210 1 9 . 1 1 27 27 SER H H 27 8.004 8.004 7.407 0.597 19340 4211 1 9 . 1 1 28 28 ALA N N 28 124.782 124.782 125.626 -0.844 19340 4212 1 9 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.038 0.166 19340 4213 1 9 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.184 0.076 19340 4214 1 9 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.381 -0.679 19340 4215 1 9 . 1 1 28 28 ALA H H 28 7.970 7.970 7.782 0.188 19340 4216 1 9 . 1 1 29 29 LEU N N 29 117.907 117.907 117.618 0.289 19340 4217 1 9 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.956 -0.132 19340 4218 1 9 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.124 -0.129 19340 4219 1 9 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.418 1.108 19340 4220 1 9 . 1 1 29 29 LEU H H 29 8.960 8.960 8.708 0.252 19340 4221 1 9 . 1 1 30 30 SER N N 30 112.859 112.859 112.537 0.322 19340 4222 1 9 . 1 1 30 30 SER HA H 30 4.076 4.076 4.121 -0.045 19340 4223 1 9 . 1 1 30 30 SER CA C 30 61.998 61.998 60.940 1.058 19340 4224 1 9 . 1 1 30 30 SER CB C 30 63.012 63.012 62.918 0.094 19340 4225 1 9 . 1 1 30 30 SER H H 30 7.951 7.951 7.936 0.015 19340 4226 1 9 . 1 1 31 31 THR N N 31 109.820 109.820 115.877 -6.057 19340 4227 1 9 . 1 1 31 31 THR HA H 31 4.472 4.472 4.274 0.198 19340 4228 1 9 . 1 1 31 31 THR CA C 31 62.731 62.731 64.501 -1.770 19340 4229 1 9 . 1 1 31 31 THR CB C 31 69.362 69.362 69.228 0.134 19340 4230 1 9 . 1 1 31 31 THR H H 31 7.164 7.164 7.493 -0.329 19340 4231 1 9 . 1 1 32 32 ALA N N 32 122.926 122.926 123.146 -0.220 19340 4232 1 9 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.289 0.138 19340 4233 1 9 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.659 -0.574 19340 4234 1 9 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.775 0.851 19340 4235 1 9 . 1 1 32 32 ALA H H 32 7.997 7.997 7.670 0.327 19340 4236 1 9 . 1 1 33 33 VAL N N 33 116.339 116.339 118.077 -1.738 19340 4237 1 9 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.149 0.312 19340 4238 1 9 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.132 -1.531 19340 4239 1 9 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.854 0.775 19340 4240 1 9 . 1 1 33 33 VAL H H 33 7.550 7.550 8.183 -0.633 19340 4241 1 9 . 1 1 34 34 GLY N N 34 113.114 113.114 113.842 -0.728 19340 4242 1 9 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.812 -0.543 19340 4243 1 9 . 1 1 34 34 GLY H H 34 7.886 7.886 8.556 -0.670 19340 4244 1 9 . 1 1 35 35 ARG N N 35 120.709 120.709 120.456 0.253 19340 4245 1 9 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.326 0.057 19340 4246 1 9 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.925 0.975 19340 4247 1 9 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.846 0.026 19340 4248 1 9 . 1 1 35 35 ARG H H 35 8.773 8.773 8.567 0.206 19340 4249 1 9 . 1 1 36 36 ASN N N 36 114.578 114.578 116.808 -2.230 19340 4250 1 9 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.738 0.086 19340 4251 1 9 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.320 0.774 19340 4252 1 9 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.268 0.349 19340 4253 1 9 . 1 1 36 36 ASN H H 36 8.628 8.628 8.010 0.618 19340 4254 1 9 . 1 1 37 37 GLY N N 37 108.462 108.462 109.008 -0.546 19340 4255 1 9 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.985 -1.268 19340 4256 1 9 . 1 1 37 37 GLY H H 37 7.880 7.880 8.142 -0.262 19340 4257 1 9 . 1 1 38 38 VAL N N 38 121.761 121.761 119.547 2.214 19340 4258 1 9 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.249 0.128 19340 4259 1 9 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.643 -0.577 19340 4260 1 9 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.663 0.108 19340 4261 1 9 . 1 1 38 38 VAL H H 38 8.565 8.565 7.678 0.887 19340 4262 1 9 . 1 1 39 39 ASP N N 39 127.585 127.585 127.848 -0.263 19340 4263 1 9 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.882 -0.231 19340 4264 1 9 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.792 1.053 19340 4265 1 9 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.547 0.882 19340 4266 1 9 . 1 1 39 39 ASP H H 39 9.007 9.007 8.569 0.438 19340 4267 1 9 . 1 1 40 40 VAL N N 40 129.021 129.021 126.662 2.359 19340 4268 1 9 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.691 -0.196 19340 4269 1 9 . 1 1 40 40 VAL CA C 40 67.399 67.399 64.984 2.415 19340 4270 1 9 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.454 0.897 19340 4271 1 9 . 1 1 40 40 VAL H H 40 8.632 8.632 8.633 -0.001 19340 4272 1 9 . 1 1 41 41 ASN N N 41 122.301 122.301 118.681 3.620 19340 4273 1 9 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.359 0.091 19340 4274 1 9 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.814 0.197 19340 4275 1 9 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.421 -0.584 19340 4276 1 9 . 1 1 41 41 ASN H H 41 8.673 8.673 7.941 0.732 19340 4277 1 9 . 1 1 42 42 ALA N N 42 124.313 124.313 122.274 2.039 19340 4278 1 9 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.233 -0.035 19340 4279 1 9 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.505 0.366 19340 4280 1 9 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.450 0.227 19340 4281 1 9 . 1 1 42 42 ALA H H 42 8.420 8.420 7.483 0.937 19340 4282 1 9 . 1 1 43 43 PHE N N 43 119.198 119.198 119.513 -0.315 19340 4283 1 9 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.137 0.346 19340 4284 1 9 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.610 -3.443 19340 4285 1 9 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.141 0.033 19340 4286 1 9 . 1 1 43 43 PHE H H 43 8.611 8.611 8.757 -0.146 19340 4287 1 9 . 1 1 44 44 THR N N 44 116.700 116.700 114.346 2.354 19340 4288 1 9 . 1 1 44 44 THR HA H 44 4.349 4.349 4.078 0.271 19340 4289 1 9 . 1 1 44 44 THR CA C 44 68.443 68.443 65.971 2.472 19340 4290 1 9 . 1 1 44 44 THR CB C 44 68.248 68.248 68.539 -0.291 19340 4291 1 9 . 1 1 44 44 THR H H 44 8.881 8.881 8.903 -0.022 19340 4292 1 9 . 1 1 45 45 SER N N 45 116.018 116.018 116.266 -0.248 19340 4293 1 9 . 1 1 45 45 SER HA H 45 4.117 4.117 4.212 -0.095 19340 4294 1 9 . 1 1 45 45 SER CA C 45 62.507 62.507 62.261 0.246 19340 4295 1 9 . 1 1 45 45 SER CB C 45 62.706 62.706 63.002 -0.296 19340 4296 1 9 . 1 1 45 45 SER H H 45 8.020 8.020 7.755 0.265 19340 4297 1 9 . 1 1 46 46 GLY N N 46 108.460 108.460 109.163 -0.703 19340 4298 1 9 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.635 0.471 19340 4299 1 9 . 1 1 46 46 GLY H H 46 7.871 7.871 7.463 0.408 19340 4300 1 9 . 1 1 47 47 LEU N N 47 123.148 123.148 122.744 0.404 19340 4301 1 9 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.921 -0.091 19340 4302 1 9 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.332 1.008 19340 4303 1 9 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.417 1.015 19340 4304 1 9 . 1 1 47 47 LEU H H 47 8.221 8.221 7.447 0.774 19340 4305 1 9 . 1 1 48 48 ARG N N 48 118.694 118.694 118.990 -0.296 19340 4306 1 9 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.980 -0.133 19340 4307 1 9 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.828 0.410 19340 4308 1 9 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.823 0.522 19340 4309 1 9 . 1 1 48 48 ARG H H 48 8.646 8.646 8.187 0.459 19340 4310 1 9 . 1 1 49 49 ALA N N 49 122.114 122.114 120.470 1.644 19340 4311 1 9 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.283 -0.124 19340 4312 1 9 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.940 0.268 19340 4313 1 9 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.180 -0.088 19340 4314 1 9 . 1 1 49 49 ALA H H 49 8.078 8.078 7.575 0.503 19340 4315 1 9 . 1 1 50 50 THR N N 50 115.708 115.708 116.388 -0.680 19340 4316 1 9 . 1 1 50 50 THR HA H 50 3.696 3.696 4.064 -0.368 19340 4317 1 9 . 1 1 50 50 THR CA C 50 67.692 67.692 66.172 1.520 19340 4318 1 9 . 1 1 50 50 THR CB C 50 68.599 68.599 68.476 0.123 19340 4319 1 9 . 1 1 50 50 THR H H 50 7.577 7.577 7.988 -0.411 19340 4320 1 9 . 1 1 51 51 LEU N N 51 121.108 121.108 123.024 -1.916 19340 4321 1 9 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.176 -0.385 19340 4322 1 9 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.505 0.748 19340 4323 1 9 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.811 1.175 19340 4324 1 9 . 1 1 51 51 LEU H H 51 8.014 8.014 8.730 -0.716 19340 4325 1 9 . 1 1 52 52 SER N N 52 115.122 115.122 114.490 0.632 19340 4326 1 9 . 1 1 52 52 SER HA H 52 4.154 4.154 4.117 0.037 19340 4327 1 9 . 1 1 52 52 SER CA C 52 61.765 61.765 61.495 0.270 19340 4328 1 9 . 1 1 52 52 SER CB C 52 62.901 62.901 62.883 0.018 19340 4329 1 9 . 1 1 52 52 SER H H 52 8.442 8.442 7.940 0.502 19340 4330 1 9 . 1 1 53 53 ASN N N 53 119.438 119.438 119.551 -0.113 19340 4331 1 9 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.519 0.121 19340 4332 1 9 . 1 1 53 53 ASN CA C 53 55.993 55.993 55.946 0.047 19340 4333 1 9 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.667 0.841 19340 4334 1 9 . 1 1 53 53 ASN H H 53 7.705 7.705 7.925 -0.220 19340 4335 1 9 . 1 1 54 54 LEU N N 54 120.042 120.042 120.136 -0.094 19340 4336 1 9 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.293 -0.100 19340 4337 1 9 . 1 1 54 54 LEU CA C 54 57.115 57.115 56.991 0.124 19340 4338 1 9 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.113 0.876 19340 4339 1 9 . 1 1 54 54 LEU H H 54 7.811 7.811 8.259 -0.448 19340 4340 1 9 . 1 1 55 55 GLY N N 55 109.450 109.450 106.187 3.263 19340 4341 1 9 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.390 1.286 19340 4342 1 9 . 1 1 55 55 GLY H H 55 8.074 8.074 8.080 -0.006 19340 4343 1 9 . 1 1 56 56 ASP N N 56 121.016 121.016 118.034 2.982 19340 4344 1 9 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.826 -0.069 19340 4345 1 9 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.535 1.276 19340 4346 1 9 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.120 -0.582 19340 4347 1 9 . 1 1 56 56 ASP H H 56 8.144 8.144 7.348 0.796 19340 4348 1 9 . 1 1 57 57 SER N N 57 113.978 113.978 114.927 -0.949 19340 4349 1 9 . 1 1 57 57 SER HA H 57 4.305 4.305 4.381 -0.076 19340 4350 1 9 . 1 1 57 57 SER CA C 57 60.031 60.031 59.958 0.073 19340 4351 1 9 . 1 1 57 57 SER CB C 57 65.212 65.212 64.250 0.962 19340 4352 1 9 . 1 1 57 57 SER H H 57 7.742 7.742 7.852 -0.110 19340 4353 1 9 . 1 1 58 58 GLY N N 58 110.315 110.315 107.674 2.641 19340 4354 1 9 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.940 0.750 19340 4355 1 9 . 1 1 58 58 GLY H H 58 8.306 8.306 7.876 0.430 19340 4356 1 9 . 1 1 59 59 MET N N 59 120.024 120.024 116.955 3.069 19340 4357 1 9 . 1 1 59 59 MET HA H 59 4.416 4.416 4.804 -0.388 19340 4358 1 9 . 1 1 59 59 MET CA C 59 56.597 56.597 54.783 1.814 19340 4359 1 9 . 1 1 59 59 MET CB C 59 34.328 34.328 34.068 0.260 19340 4360 1 9 . 1 1 59 59 MET H H 59 7.686 7.686 7.327 0.359 19340 4361 1 9 . 1 1 60 60 SER N N 60 122.795 122.795 114.384 8.411 19340 4362 1 9 . 1 1 60 60 SER HA H 60 4.601 4.601 4.785 -0.184 19340 4363 1 9 . 1 1 60 60 SER CA C 60 57.598 57.598 54.781 2.817 19340 4364 1 9 . 1 1 60 60 SER CB C 60 62.511 62.511 64.966 -2.455 19340 4365 1 9 . 1 1 60 60 SER H H 60 9.088 9.088 8.256 0.832 19340 4366 1 9 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.520 -0.305 19340 4367 1 9 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.284 2.338 19340 4368 1 9 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.946 0.015 19340 4369 1 9 . 1 1 62 62 ASN N N 62 113.170 113.170 116.392 -3.222 19340 4370 1 9 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.678 -0.301 19340 4371 1 9 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.994 1.422 19340 4372 1 9 . 1 1 62 62 ASN CB C 62 38.004 38.004 40.002 -1.998 19340 4373 1 9 . 1 1 62 62 ASN H H 62 8.389 8.389 8.409 -0.020 19340 4374 1 9 . 1 1 63 63 GLU N N 63 120.222 120.222 120.455 -0.233 19340 4375 1 9 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.106 -0.354 19340 4376 1 9 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.215 1.452 19340 4377 1 9 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.033 8.804 19340 4378 1 9 . 1 1 63 63 GLU H H 63 7.428 7.428 7.507 -0.079 19340 4379 1 9 . 1 1 64 64 ALA N N 64 120.568 120.568 122.152 -1.584 19340 4380 1 9 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.051 0.025 19340 4381 1 9 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.429 -0.610 19340 4382 1 9 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.533 -0.191 19340 4383 1 9 . 1 1 64 64 ALA H H 64 8.640 8.640 7.829 0.811 19340 4384 1 9 . 1 1 65 65 LYS N N 65 115.104 115.104 116.887 -1.783 19340 4385 1 9 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.003 -0.380 19340 4386 1 9 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.275 1.601 19340 4387 1 9 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.175 0.677 19340 4388 1 9 . 1 1 65 65 LYS H H 65 7.472 7.472 8.255 -0.783 19340 4389 1 9 . 1 1 66 66 VAL N N 66 116.911 116.911 119.382 -2.471 19340 4390 1 9 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.976 -0.425 19340 4391 1 9 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.701 2.603 19340 4392 1 9 . 1 1 66 66 VAL CB C 66 31.543 31.543 31.931 -0.389 19340 4393 1 9 . 1 1 66 66 VAL H H 66 7.045 7.045 7.300 -0.255 19340 4394 1 9 . 1 1 67 67 GLU N N 67 120.755 120.755 120.047 0.708 19340 4395 1 9 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.173 -0.131 19340 4396 1 9 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.157 -0.748 19340 4397 1 9 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.454 3.481 19340 4398 1 9 . 1 1 67 67 GLU H H 67 8.439 8.439 8.529 -0.090 19340 4399 1 9 . 1 1 68 68 VAL N N 68 119.280 119.280 116.323 2.957 19340 4400 1 9 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.871 -0.516 19340 4401 1 9 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.044 1.389 19340 4402 1 9 . 1 1 68 68 VAL CB C 68 30.652 30.652 30.972 -0.320 19340 4403 1 9 . 1 1 68 68 VAL H H 68 8.473 8.473 8.146 0.327 19340 4404 1 9 . 1 1 69 69 LEU N N 69 117.578 117.578 119.543 -1.965 19340 4405 1 9 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.014 -0.056 19340 4406 1 9 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.447 0.910 19340 4407 1 9 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.317 0.781 19340 4408 1 9 . 1 1 69 69 LEU H H 69 7.292 7.292 7.640 -0.348 19340 4409 1 9 . 1 1 70 70 LEU N N 70 118.482 118.482 118.792 -0.310 19340 4410 1 9 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.981 -0.000 19340 4411 1 9 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.160 0.214 19340 4412 1 9 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.818 0.363 19340 4413 1 9 . 1 1 70 70 LEU H H 70 8.237 8.237 7.582 0.655 19340 4414 1 9 . 1 1 71 71 GLU N N 71 123.582 123.582 120.349 3.233 19340 4415 1 9 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.972 -0.248 19340 4416 1 9 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.239 1.844 19340 4417 1 9 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.404 7.904 19340 4418 1 9 . 1 1 71 71 GLU H H 71 8.915 8.915 7.908 1.007 19340 4419 1 9 . 1 1 72 72 ALA N N 72 123.321 123.321 122.129 1.192 19340 4420 1 9 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.003 0.061 19340 4421 1 9 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.016 0.684 19340 4422 1 9 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.257 -0.416 19340 4423 1 9 . 1 1 72 72 ALA H H 72 8.994 8.994 8.053 0.941 19340 4424 1 9 . 1 1 73 73 LEU N N 73 118.574 118.574 118.876 -0.302 19340 4425 1 9 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.050 -0.092 19340 4426 1 9 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.444 0.792 19340 4427 1 9 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.982 0.366 19340 4428 1 9 . 1 1 73 73 LEU H H 73 8.544 8.544 7.418 1.126 19340 4429 1 9 . 1 1 74 74 THR N N 74 115.785 115.785 115.955 -0.170 19340 4430 1 9 . 1 1 74 74 THR HA H 74 3.578 3.578 3.854 -0.276 19340 4431 1 9 . 1 1 74 74 THR CA C 74 68.727 68.727 67.285 1.442 19340 4432 1 9 . 1 1 74 74 THR CB C 74 67.691 67.691 68.475 -0.784 19340 4433 1 9 . 1 1 74 74 THR H H 74 8.137 8.137 7.810 0.327 19340 4434 1 9 . 1 1 75 75 ALA N N 75 123.543 123.543 123.264 0.279 19340 4435 1 9 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.320 -0.624 19340 4436 1 9 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.897 0.665 19340 4437 1 9 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.428 0.945 19340 4438 1 9 . 1 1 75 75 ALA H H 75 8.585 8.585 7.629 0.956 19340 4439 1 9 . 1 1 76 76 ALA N N 76 118.729 118.729 120.885 -2.156 19340 4440 1 9 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.050 -0.276 19340 4441 1 9 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.427 1.014 19340 4442 1 9 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.617 -0.469 19340 4443 1 9 . 1 1 76 76 ALA H H 76 8.199 8.199 7.246 0.953 19340 4444 1 9 . 1 1 77 77 LEU N N 77 117.321 117.321 119.421 -2.100 19340 4445 1 9 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.825 0.050 19340 4446 1 9 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.916 0.286 19340 4447 1 9 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.724 -1.102 19340 4448 1 9 . 1 1 77 77 LEU H H 77 8.265 8.265 8.767 -0.502 19340 4449 1 9 . 1 1 78 78 GLN N N 78 121.687 121.687 117.839 3.848 19340 4450 1 9 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.019 -0.206 19340 4451 1 9 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.399 0.234 19340 4452 1 9 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.306 4.133 19340 4453 1 9 . 1 1 78 78 GLN H H 78 8.776 8.776 7.992 0.784 19340 4454 1 9 . 1 1 79 79 LEU N N 79 120.042 120.042 120.661 -0.619 19340 4455 1 9 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.146 -0.138 19340 4456 1 9 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.483 0.253 19340 4457 1 9 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.230 0.313 19340 4458 1 9 . 1 1 79 79 LEU H H 79 7.990 7.990 7.332 0.658 19340 4459 1 9 . 1 1 80 80 LEU N N 80 122.157 122.157 120.290 1.867 19340 4460 1 9 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.022 -0.198 19340 4461 1 9 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.073 1.016 19340 4462 1 9 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.944 2.460 19340 4463 1 9 . 1 1 80 80 LEU H H 80 8.454 8.454 8.618 -0.164 19340 4464 1 9 . 1 1 81 81 SER N N 81 114.179 114.179 114.860 -0.681 19340 4465 1 9 . 1 1 81 81 SER HA H 81 3.897 3.897 4.251 -0.354 19340 4466 1 9 . 1 1 81 81 SER CA C 81 61.756 61.756 61.038 0.718 19340 4467 1 9 . 1 1 81 81 SER CB C 81 63.486 63.486 62.984 0.502 19340 4468 1 9 . 1 1 81 81 SER H H 81 8.006 8.006 7.945 0.061 19340 4469 1 9 . 1 1 82 82 SER N N 82 113.392 113.392 113.918 -0.526 19340 4470 1 9 . 1 1 82 82 SER HA H 82 4.718 4.718 4.677 0.041 19340 4471 1 9 . 1 1 82 82 SER CA C 82 57.718 57.718 57.868 -0.150 19340 4472 1 9 . 1 1 82 82 SER CB C 82 64.377 64.377 64.274 0.103 19340 4473 1 9 . 1 1 82 82 SER H H 82 7.160 7.160 8.061 -0.901 19340 4474 1 9 . 1 1 83 83 SER N N 83 117.607 117.607 118.449 -0.842 19340 4475 1 9 . 1 1 83 83 SER HA H 83 4.885 4.885 4.548 0.337 19340 4476 1 9 . 1 1 83 83 SER CA C 83 59.263 59.263 58.421 0.842 19340 4477 1 9 . 1 1 83 83 SER CB C 83 65.352 65.352 64.866 0.486 19340 4478 1 9 . 1 1 83 83 SER H H 83 7.369 7.369 7.847 -0.478 19340 4479 1 9 . 1 1 84 84 THR N N 84 117.656 117.656 116.159 1.497 19340 4480 1 9 . 1 1 84 84 THR HA H 84 4.545 4.545 4.557 -0.012 19340 4481 1 9 . 1 1 84 84 THR CA C 84 62.006 62.006 62.469 -0.463 19340 4482 1 9 . 1 1 84 84 THR CB C 84 69.724 69.724 69.549 0.175 19340 4483 1 9 . 1 1 84 84 THR H H 84 8.488 8.488 8.298 0.190 19340 4484 1 9 . 1 1 85 85 LEU N N 85 130.429 130.429 119.658 10.771 19340 4485 1 9 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.105 0.183 19340 4486 1 9 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.248 1.048 19340 4487 1 9 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.453 1.937 19340 4488 1 9 . 1 1 85 85 LEU H H 85 8.878 8.878 7.711 1.167 19340 4489 1 9 . 1 1 86 86 GLY N N 86 112.150 112.150 107.103 5.047 19340 4490 1 9 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.628 -1.826 19340 4491 1 9 . 1 1 86 86 GLY H H 86 7.901 7.901 8.909 -1.008 19340 4492 1 9 . 1 1 87 87 ALA N N 87 122.559 122.559 122.375 0.184 19340 4493 1 9 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.478 -0.194 19340 4494 1 9 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.104 -0.149 19340 4495 1 9 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.713 -0.368 19340 4496 1 9 . 1 1 87 87 ALA H H 87 8.113 8.113 7.598 0.515 19340 4497 1 9 . 1 1 88 88 VAL N N 88 122.375 122.375 117.888 4.487 19340 4498 1 9 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.293 -0.486 19340 4499 1 9 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.679 0.285 19340 4500 1 9 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.796 -0.167 19340 4501 1 9 . 1 1 88 88 VAL H H 88 8.447 8.447 8.322 0.125 19340 4502 1 9 . 1 1 89 89 ASP N N 89 127.408 127.408 119.417 7.991 19340 4503 1 9 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.484 0.374 19340 4504 1 9 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.757 -2.155 19340 4505 1 9 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.789 1.028 19340 4506 1 9 . 1 1 89 89 ASP H H 89 8.570 8.570 8.446 0.124 19340 4507 1 9 . 1 1 90 90 THR N N 90 116.481 116.481 109.928 6.553 19340 4508 1 9 . 1 1 90 90 THR HA H 90 3.953 3.953 4.102 -0.149 19340 4509 1 9 . 1 1 90 90 THR CA C 90 63.879 63.879 64.175 -0.296 19340 4510 1 9 . 1 1 90 90 THR CB C 90 68.833 68.833 69.068 -0.235 19340 4511 1 9 . 1 1 90 90 THR H H 90 8.539 8.539 8.305 0.234 19340 4512 1 9 . 1 1 91 91 THR N N 91 114.681 114.681 115.927 -1.246 19340 4513 1 9 . 1 1 91 91 THR HA H 91 4.182 4.182 4.298 -0.116 19340 4514 1 9 . 1 1 91 91 THR CA C 91 64.750 64.750 64.144 0.606 19340 4515 1 9 . 1 1 91 91 THR CB C 91 69.055 69.055 68.745 0.310 19340 4516 1 9 . 1 1 91 91 THR H H 91 8.335 8.335 7.895 0.440 19340 4517 1 9 . 1 1 92 92 SER N N 92 114.236 114.236 116.427 -2.191 19340 4518 1 9 . 1 1 92 92 SER HA H 92 4.668 4.668 4.640 0.028 19340 4519 1 9 . 1 1 92 92 SER CA C 92 58.460 58.460 58.438 0.022 19340 4520 1 9 . 1 1 92 92 SER CB C 92 64.433 64.433 63.720 0.713 19340 4521 1 9 . 1 1 92 92 SER H H 92 7.642 7.642 7.628 0.014 19340 4522 1 9 . 1 1 93 93 ILE N N 93 122.128 122.128 123.361 -1.233 19340 4523 1 9 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.664 0.149 19340 4524 1 9 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.465 -0.335 19340 4525 1 9 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.273 0.926 19340 4526 1 9 . 1 1 93 93 ILE H H 93 7.276 7.276 7.156 0.120 19340 4527 1 9 . 1 1 94 94 GLY N N 94 108.426 108.426 107.320 1.106 19340 4528 1 9 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.239 -0.240 19340 4529 1 9 . 1 1 94 94 GLY H H 94 8.756 8.756 8.668 0.088 19340 4530 1 9 . 1 1 95 95 LEU N N 95 123.674 123.674 122.448 1.226 19340 4531 1 9 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.124 0.158 19340 4532 1 9 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.587 0.442 19340 4533 1 9 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.753 -0.491 19340 4534 1 9 . 1 1 95 95 LEU H H 95 7.568 7.568 7.318 0.250 19340 4535 1 9 . 1 1 96 96 THR N N 96 119.717 119.717 116.483 3.234 19340 4536 1 9 . 1 1 96 96 THR HA H 96 3.837 3.837 3.809 0.028 19340 4537 1 9 . 1 1 96 96 THR CA C 96 66.683 66.683 67.456 -0.773 19340 4538 1 9 . 1 1 96 96 THR CB C 96 67.969 67.969 68.541 -0.572 19340 4539 1 9 . 1 1 96 96 THR H H 96 8.430 8.430 8.614 -0.184 19340 4540 1 9 . 1 1 97 97 SER N N 97 117.285 117.285 116.430 0.855 19340 4541 1 9 . 1 1 97 97 SER HA H 97 4.094 4.094 4.011 0.083 19340 4542 1 9 . 1 1 97 97 SER CA C 97 62.507 62.507 61.532 0.975 19340 4543 1 9 . 1 1 97 97 SER CB C 97 62.845 62.845 62.941 -0.096 19340 4544 1 9 . 1 1 97 97 SER H H 97 9.000 9.000 8.659 0.341 19340 4545 1 9 . 1 1 98 98 ASN N N 98 121.846 121.846 120.122 1.724 19340 4546 1 9 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.532 -0.144 19340 4547 1 9 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.295 1.587 19340 4548 1 9 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.610 0.224 19340 4549 1 9 . 1 1 98 98 ASN H H 98 7.939 7.939 7.627 0.312 19340 4550 1 9 . 1 1 99 99 SER N N 99 117.585 117.585 116.925 0.660 19340 4551 1 9 . 1 1 99 99 SER HA H 99 4.204 4.204 4.189 0.015 19340 4552 1 9 . 1 1 99 99 SER CA C 99 62.886 62.886 61.836 1.050 19340 4553 1 9 . 1 1 99 99 SER CB C 99 62.984 62.984 63.115 -0.131 19340 4554 1 9 . 1 1 99 99 SER H H 99 8.370 8.370 8.114 0.256 19340 4555 1 9 . 1 1 100 100 VAL N N 100 121.524 121.524 119.295 2.229 19340 4556 1 9 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.261 0.290 19340 4557 1 9 . 1 1 100 100 VAL CA C 100 67.951 67.951 65.558 2.393 19340 4558 1 9 . 1 1 100 100 VAL CB C 100 31.654 31.654 30.140 1.514 19340 4559 1 9 . 1 1 100 100 VAL H H 100 8.565 8.565 8.068 0.497 19340 4560 1 9 . 1 1 101 101 SER N N 101 113.005 113.005 116.993 -3.988 19340 4561 1 9 . 1 1 101 101 SER HA H 101 3.875 3.875 4.103 -0.228 19340 4562 1 9 . 1 1 101 101 SER CA C 101 62.326 62.326 61.477 0.848 19340 4563 1 9 . 1 1 101 101 SER CB C 101 63.263 63.263 62.826 0.437 19340 4564 1 9 . 1 1 101 101 SER H H 101 8.272 8.272 7.803 0.469 19340 4565 1 9 . 1 1 102 102 LYS N N 102 119.357 119.357 122.281 -2.924 19340 4566 1 9 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.116 -0.096 19340 4567 1 9 . 1 1 102 102 LYS CA C 102 59.599 59.599 58.862 0.737 19340 4568 1 9 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.396 0.747 19340 4569 1 9 . 1 1 102 102 LYS H H 102 7.953 7.953 7.797 0.156 19340 4570 1 9 . 1 1 103 103 ALA N N 103 120.882 120.882 122.792 -1.910 19340 4571 1 9 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.152 0.091 19340 4572 1 9 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.066 -0.479 19340 4573 1 9 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.644 1.982 19340 4574 1 9 . 1 1 103 103 ALA H H 103 8.049 8.049 8.291 -0.242 19340 4575 1 9 . 1 1 104 104 VAL N N 104 116.191 116.191 118.794 -2.603 19340 4576 1 9 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.656 -0.407 19340 4577 1 9 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.920 0.194 19340 4578 1 9 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.914 -0.900 19340 4579 1 9 . 1 1 104 104 VAL H H 104 8.572 8.572 8.443 0.129 19340 4580 1 9 . 1 1 105 105 ALA N N 105 121.884 121.884 120.482 1.402 19340 4581 1 9 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.326 -0.435 19340 4582 1 9 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.301 1.002 19340 4583 1 9 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.437 0.045 19340 4584 1 9 . 1 1 105 105 ALA H H 105 8.347 8.347 7.838 0.509 19340 4585 1 9 . 1 1 106 106 GLN N N 106 113.657 113.657 118.759 -5.102 19340 4586 1 9 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.180 -0.149 19340 4587 1 9 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.244 0.104 19340 4588 1 9 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.105 6.142 19340 4589 1 9 . 1 1 106 106 GLN H H 106 7.838 7.838 7.939 -0.101 19340 4590 1 9 . 1 1 107 107 ALA N N 107 117.818 117.818 120.644 -2.826 19340 4591 1 9 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.395 -0.141 19340 4592 1 9 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.068 0.087 19340 4593 1 9 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.196 2.962 19340 4594 1 9 . 1 1 107 107 ALA H H 107 8.145 8.145 8.033 0.112 19340 4595 1 9 . 1 1 108 108 LEU N N 108 113.428 113.428 117.829 -4.401 19340 4596 1 9 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.315 0.107 19340 4597 1 9 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.319 -0.914 19340 4598 1 9 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.997 -0.342 19340 4599 1 9 . 1 1 108 108 LEU H H 108 8.341 8.341 7.915 0.426 19340 4600 1 10 . 1 1 2 2 SER N N 2 117.112 117.112 116.010 1.102 19340 4601 1 10 . 1 1 2 2 SER HA H 2 4.500 4.500 4.033 0.467 19340 4602 1 10 . 1 1 2 2 SER CA C 2 58.547 58.547 57.792 0.755 19340 4603 1 10 . 1 1 2 2 SER CB C 2 63.820 63.820 64.239 -0.419 19340 4604 1 10 . 1 1 2 2 SER H H 2 8.748 8.748 7.987 0.761 19340 4605 1 10 . 1 1 3 3 PHE N N 3 123.783 123.783 122.535 1.248 19340 4606 1 10 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.477 -0.256 19340 4607 1 10 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.924 2.167 19340 4608 1 10 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.540 0.327 19340 4609 1 10 . 1 1 3 3 PHE H H 3 8.398 8.398 8.502 -0.104 19340 4610 1 10 . 1 1 4 4 GLY N N 4 106.435 106.435 108.159 -1.724 19340 4611 1 10 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.872 0.347 19340 4612 1 10 . 1 1 4 4 GLY H H 4 8.699 8.699 8.373 0.326 19340 4613 1 10 . 1 1 5 5 LEU N N 5 121.041 121.041 119.551 1.490 19340 4614 1 10 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.280 -0.149 19340 4615 1 10 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.372 0.234 19340 4616 1 10 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.615 0.176 19340 4617 1 10 . 1 1 5 5 LEU H H 5 7.590 7.590 7.335 0.255 19340 4618 1 10 . 1 1 6 6 VAL N N 6 118.980 118.980 115.421 3.559 19340 4619 1 10 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.819 -0.118 19340 4620 1 10 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.602 0.166 19340 4621 1 10 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.487 0.836 19340 4622 1 10 . 1 1 6 6 VAL H H 6 7.630 7.630 7.628 0.002 19340 4623 1 10 . 1 1 7 7 LEU N N 7 120.127 120.127 117.484 2.643 19340 4624 1 10 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.211 0.049 19340 4625 1 10 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.427 0.644 19340 4626 1 10 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.323 0.468 19340 4627 1 10 . 1 1 7 7 LEU H H 7 8.171 8.171 7.503 0.668 19340 4628 1 10 . 1 1 8 8 ASN N N 8 114.592 114.592 115.644 -1.052 19340 4629 1 10 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.725 0.099 19340 4630 1 10 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.298 -0.575 19340 4631 1 10 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.438 -0.097 19340 4632 1 10 . 1 1 8 8 ASN H H 8 7.602 7.602 7.565 0.037 19340 4633 1 10 . 1 1 9 9 SER N N 9 116.029 116.029 116.594 -0.565 19340 4634 1 10 . 1 1 9 9 SER HA H 9 4.690 4.690 4.573 0.117 19340 4635 1 10 . 1 1 9 9 SER CA C 9 56.675 56.675 57.175 -0.500 19340 4636 1 10 . 1 1 9 9 SER CB C 9 64.210 64.210 63.565 0.645 19340 4637 1 10 . 1 1 9 9 SER H H 9 7.186 7.186 7.793 -0.607 19340 4638 1 10 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.457 -0.018 19340 4639 1 10 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.478 0.229 19340 4640 1 10 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.050 -0.006 19340 4641 1 10 . 1 1 11 11 ASN N N 11 114.702 114.702 113.189 1.513 19340 4642 1 10 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.816 0.243 19340 4643 1 10 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.831 0.935 19340 4644 1 10 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.969 2.317 19340 4645 1 10 . 1 1 11 11 ASN H H 11 8.150 8.150 7.808 0.342 19340 4646 1 10 . 1 1 12 12 GLY N N 12 122.938 122.938 109.747 13.191 19340 4647 1 10 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.290 -2.169 19340 4648 1 10 . 1 1 12 12 GLY H H 12 7.324 7.324 7.746 -0.422 19340 4649 1 10 . 1 1 13 13 LEU N N 13 124.662 124.662 119.625 5.037 19340 4650 1 10 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.562 -0.833 19340 4651 1 10 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.121 2.899 19340 4652 1 10 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.695 0.990 19340 4653 1 10 . 1 1 13 13 LEU H H 13 9.253 9.253 8.284 0.969 19340 4654 1 10 . 1 1 14 14 ARG N N 14 113.071 113.071 119.138 -6.067 19340 4655 1 10 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.178 0.110 19340 4656 1 10 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.161 -0.771 19340 4657 1 10 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.326 -0.287 19340 4658 1 10 . 1 1 14 14 ARG H H 14 8.168 8.168 8.190 -0.022 19340 4659 1 10 . 1 1 15 15 SER N N 15 118.055 118.055 113.619 4.436 19340 4660 1 10 . 1 1 15 15 SER HA H 15 4.690 4.690 4.659 0.031 19340 4661 1 10 . 1 1 15 15 SER CA C 15 57.520 57.520 57.432 0.088 19340 4662 1 10 . 1 1 15 15 SER CB C 15 65.463 65.463 64.245 1.218 19340 4663 1 10 . 1 1 15 15 SER H H 15 8.264 8.264 7.724 0.540 19340 4664 1 10 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.324 0.053 19340 4665 1 10 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.989 0.365 19340 4666 1 10 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.944 -0.178 19340 4667 1 10 . 1 1 17 17 GLN N N 17 117.374 117.374 117.543 -0.169 19340 4668 1 10 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.090 0.025 19340 4669 1 10 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.718 0.554 19340 4670 1 10 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.260 0.634 19340 4671 1 10 . 1 1 17 17 GLN H H 17 8.661 8.661 8.790 -0.129 19340 4672 1 10 . 1 1 18 18 ALA N N 18 122.904 122.904 123.114 -0.210 19340 4673 1 10 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.076 -0.207 19340 4674 1 10 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.848 0.541 19340 4675 1 10 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.420 0.897 19340 4676 1 10 . 1 1 18 18 ALA H H 18 7.785 7.785 7.552 0.233 19340 4677 1 10 . 1 1 19 19 LYS N N 19 116.947 116.947 119.228 -2.281 19340 4678 1 10 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.027 -0.275 19340 4679 1 10 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.282 1.448 19340 4680 1 10 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.279 -0.680 19340 4681 1 10 . 1 1 19 19 LYS H H 19 7.410 7.410 7.517 -0.107 19340 4682 1 10 . 1 1 20 20 ALA N N 20 119.887 119.887 121.994 -2.107 19340 4683 1 10 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.013 0.158 19340 4684 1 10 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.091 -0.082 19340 4685 1 10 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.449 -0.162 19340 4686 1 10 . 1 1 20 20 ALA H H 20 7.362 7.362 7.604 -0.242 19340 4687 1 10 . 1 1 21 21 ARG N N 21 118.182 118.182 118.701 -0.519 19340 4688 1 10 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.023 0.025 19340 4689 1 10 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.273 1.319 19340 4690 1 10 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.274 1.742 19340 4691 1 10 . 1 1 21 21 ARG H H 21 7.502 7.502 7.520 -0.018 19340 4692 1 10 . 1 1 22 22 ILE N N 22 122.484 122.484 119.872 2.612 19340 4693 1 10 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.742 -0.197 19340 4694 1 10 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.162 0.848 19340 4695 1 10 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.559 0.445 19340 4696 1 10 . 1 1 22 22 ILE H H 22 9.258 9.258 8.035 1.223 19340 4697 1 10 . 1 1 23 23 ASN N N 23 119.721 119.721 119.103 0.618 19340 4698 1 10 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.344 -0.067 19340 4699 1 10 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.766 0.392 19340 4700 1 10 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.406 0.545 19340 4701 1 10 . 1 1 23 23 ASN H H 23 8.395 8.395 8.001 0.394 19340 4702 1 10 . 1 1 24 24 ASN N N 24 117.554 117.554 118.563 -1.009 19340 4703 1 10 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.486 0.009 19340 4704 1 10 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.880 0.579 19340 4705 1 10 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.159 -0.205 19340 4706 1 10 . 1 1 24 24 ASN H H 24 8.002 8.002 7.699 0.303 19340 4707 1 10 . 1 1 25 25 LEU N N 25 123.367 123.367 122.005 1.362 19340 4708 1 10 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.143 0.011 19340 4709 1 10 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.415 -0.498 19340 4710 1 10 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.951 0.982 19340 4711 1 10 . 1 1 25 25 LEU H H 25 8.235 8.235 7.657 0.578 19340 4712 1 10 . 1 1 26 26 ALA N N 26 123.137 123.137 120.042 3.095 19340 4713 1 10 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.091 -0.222 19340 4714 1 10 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.784 0.924 19340 4715 1 10 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.194 -1.244 19340 4716 1 10 . 1 1 26 26 ALA H H 26 9.068 9.068 8.434 0.634 19340 4717 1 10 . 1 1 27 27 SER N N 27 113.809 113.809 113.013 0.796 19340 4718 1 10 . 1 1 27 27 SER HA H 27 4.182 4.182 4.498 -0.316 19340 4719 1 10 . 1 1 27 27 SER CA C 27 62.075 62.075 60.021 2.054 19340 4720 1 10 . 1 1 27 27 SER CB C 27 62.929 62.929 64.093 -1.164 19340 4721 1 10 . 1 1 27 27 SER H H 27 8.004 8.004 7.402 0.602 19340 4722 1 10 . 1 1 28 28 ALA N N 28 124.782 124.782 125.682 -0.900 19340 4723 1 10 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.061 0.143 19340 4724 1 10 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.246 0.014 19340 4725 1 10 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.425 -0.723 19340 4726 1 10 . 1 1 28 28 ALA H H 28 7.970 7.970 7.907 0.063 19340 4727 1 10 . 1 1 29 29 LEU N N 29 117.907 117.907 117.660 0.247 19340 4728 1 10 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.861 -0.037 19340 4729 1 10 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.116 -0.121 19340 4730 1 10 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.394 1.132 19340 4731 1 10 . 1 1 29 29 LEU H H 29 8.960 8.960 8.747 0.213 19340 4732 1 10 . 1 1 30 30 SER N N 30 112.859 112.859 111.784 1.075 19340 4733 1 10 . 1 1 30 30 SER HA H 30 4.076 4.076 4.098 -0.022 19340 4734 1 10 . 1 1 30 30 SER CA C 30 61.998 61.998 60.785 1.213 19340 4735 1 10 . 1 1 30 30 SER CB C 30 63.012 63.012 62.920 0.092 19340 4736 1 10 . 1 1 30 30 SER H H 30 7.951 7.951 7.934 0.017 19340 4737 1 10 . 1 1 31 31 THR N N 31 109.820 109.820 115.723 -5.903 19340 4738 1 10 . 1 1 31 31 THR HA H 31 4.472 4.472 4.255 0.217 19340 4739 1 10 . 1 1 31 31 THR CA C 31 62.731 62.731 64.288 -1.558 19340 4740 1 10 . 1 1 31 31 THR CB C 31 69.362 69.362 69.125 0.237 19340 4741 1 10 . 1 1 31 31 THR H H 31 7.164 7.164 7.446 -0.282 19340 4742 1 10 . 1 1 32 32 ALA N N 32 122.926 122.926 122.949 -0.023 19340 4743 1 10 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.330 0.097 19340 4744 1 10 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.507 -0.422 19340 4745 1 10 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.743 0.883 19340 4746 1 10 . 1 1 32 32 ALA H H 32 7.997 7.997 7.807 0.190 19340 4747 1 10 . 1 1 33 33 VAL N N 33 116.339 116.339 118.039 -1.700 19340 4748 1 10 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.124 0.337 19340 4749 1 10 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.928 -1.327 19340 4750 1 10 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.874 0.755 19340 4751 1 10 . 1 1 33 33 VAL H H 33 7.550 7.550 8.054 -0.504 19340 4752 1 10 . 1 1 34 34 GLY N N 34 113.114 113.114 113.903 -0.789 19340 4753 1 10 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.858 -0.589 19340 4754 1 10 . 1 1 34 34 GLY H H 34 7.886 7.886 8.560 -0.674 19340 4755 1 10 . 1 1 35 35 ARG N N 35 120.709 120.709 120.318 0.391 19340 4756 1 10 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.317 0.066 19340 4757 1 10 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.065 0.835 19340 4758 1 10 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.682 0.190 19340 4759 1 10 . 1 1 35 35 ARG H H 35 8.773 8.773 8.456 0.317 19340 4760 1 10 . 1 1 36 36 ASN N N 36 114.578 114.578 116.707 -2.129 19340 4761 1 10 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.732 0.092 19340 4762 1 10 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.297 0.797 19340 4763 1 10 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.288 0.330 19340 4764 1 10 . 1 1 36 36 ASN H H 36 8.628 8.628 7.985 0.643 19340 4765 1 10 . 1 1 37 37 GLY N N 37 108.462 108.462 110.016 -1.554 19340 4766 1 10 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.804 -1.087 19340 4767 1 10 . 1 1 37 37 GLY H H 37 7.880 7.880 7.984 -0.104 19340 4768 1 10 . 1 1 38 38 VAL N N 38 121.761 121.761 120.589 1.172 19340 4769 1 10 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.263 0.114 19340 4770 1 10 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.569 -0.503 19340 4771 1 10 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.137 -0.366 19340 4772 1 10 . 1 1 38 38 VAL H H 38 8.565 8.565 7.721 0.844 19340 4773 1 10 . 1 1 39 39 ASP N N 39 127.585 127.585 128.171 -0.586 19340 4774 1 10 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.874 -0.223 19340 4775 1 10 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.142 0.703 19340 4776 1 10 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.975 0.454 19340 4777 1 10 . 1 1 39 39 ASP H H 39 9.007 9.007 8.533 0.474 19340 4778 1 10 . 1 1 40 40 VAL N N 40 129.021 129.021 125.946 3.075 19340 4779 1 10 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.841 -0.346 19340 4780 1 10 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.800 1.599 19340 4781 1 10 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.711 0.640 19340 4782 1 10 . 1 1 40 40 VAL H H 40 8.632 8.632 8.389 0.243 19340 4783 1 10 . 1 1 41 41 ASN N N 41 122.301 122.301 117.828 4.473 19340 4784 1 10 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.379 0.071 19340 4785 1 10 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.573 0.438 19340 4786 1 10 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.143 -0.306 19340 4787 1 10 . 1 1 41 41 ASN H H 41 8.673 8.673 8.524 0.149 19340 4788 1 10 . 1 1 42 42 ALA N N 42 124.313 124.313 122.626 1.687 19340 4789 1 10 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.235 -0.037 19340 4790 1 10 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.656 0.215 19340 4791 1 10 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.518 0.159 19340 4792 1 10 . 1 1 42 42 ALA H H 42 8.420 8.420 7.655 0.765 19340 4793 1 10 . 1 1 43 43 PHE N N 43 119.198 119.198 119.669 -0.471 19340 4794 1 10 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.218 0.265 19340 4795 1 10 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.042 -0.875 19340 4796 1 10 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.555 0.619 19340 4797 1 10 . 1 1 43 43 PHE H H 43 8.611 8.611 8.807 -0.196 19340 4798 1 10 . 1 1 44 44 THR N N 44 116.700 116.700 114.274 2.426 19340 4799 1 10 . 1 1 44 44 THR HA H 44 4.349 4.349 3.741 0.608 19340 4800 1 10 . 1 1 44 44 THR CA C 44 68.443 68.443 65.695 2.748 19340 4801 1 10 . 1 1 44 44 THR CB C 44 68.248 68.248 68.340 -0.091 19340 4802 1 10 . 1 1 44 44 THR H H 44 8.881 8.881 8.727 0.154 19340 4803 1 10 . 1 1 45 45 SER N N 45 116.018 116.018 116.841 -0.823 19340 4804 1 10 . 1 1 45 45 SER HA H 45 4.117 4.117 4.181 -0.064 19340 4805 1 10 . 1 1 45 45 SER CA C 45 62.507 62.507 62.328 0.179 19340 4806 1 10 . 1 1 45 45 SER CB C 45 62.706 62.706 62.995 -0.289 19340 4807 1 10 . 1 1 45 45 SER H H 45 8.020 8.020 7.716 0.304 19340 4808 1 10 . 1 1 46 46 GLY N N 46 108.460 108.460 108.852 -0.392 19340 4809 1 10 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.737 0.369 19340 4810 1 10 . 1 1 46 46 GLY H H 46 7.871 7.871 7.669 0.202 19340 4811 1 10 . 1 1 47 47 LEU N N 47 123.148 123.148 122.806 0.342 19340 4812 1 10 . 1 1 47 47 LEU HA H 47 3.830 3.830 4.002 -0.172 19340 4813 1 10 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.213 1.127 19340 4814 1 10 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.366 1.066 19340 4815 1 10 . 1 1 47 47 LEU H H 47 8.221 8.221 7.403 0.818 19340 4816 1 10 . 1 1 48 48 ARG N N 48 118.694 118.694 119.089 -0.395 19340 4817 1 10 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.957 -0.110 19340 4818 1 10 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.819 0.419 19340 4819 1 10 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.777 0.568 19340 4820 1 10 . 1 1 48 48 ARG H H 48 8.646 8.646 8.317 0.329 19340 4821 1 10 . 1 1 49 49 ALA N N 49 122.114 122.114 120.514 1.600 19340 4822 1 10 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.273 -0.114 19340 4823 1 10 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.998 0.209 19340 4824 1 10 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.161 -0.069 19340 4825 1 10 . 1 1 49 49 ALA H H 49 8.078 8.078 7.603 0.475 19340 4826 1 10 . 1 1 50 50 THR N N 50 115.708 115.708 116.709 -1.001 19340 4827 1 10 . 1 1 50 50 THR HA H 50 3.696 3.696 4.062 -0.366 19340 4828 1 10 . 1 1 50 50 THR CA C 50 67.692 67.692 66.280 1.412 19340 4829 1 10 . 1 1 50 50 THR CB C 50 68.599 68.599 68.487 0.111 19340 4830 1 10 . 1 1 50 50 THR H H 50 7.577 7.577 7.690 -0.113 19340 4831 1 10 . 1 1 51 51 LEU N N 51 121.108 121.108 122.990 -1.882 19340 4832 1 10 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.129 -0.338 19340 4833 1 10 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.772 0.481 19340 4834 1 10 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.801 1.185 19340 4835 1 10 . 1 1 51 51 LEU H H 51 8.014 8.014 8.767 -0.753 19340 4836 1 10 . 1 1 52 52 SER N N 52 115.122 115.122 114.190 0.932 19340 4837 1 10 . 1 1 52 52 SER HA H 52 4.154 4.154 4.103 0.051 19340 4838 1 10 . 1 1 52 52 SER CA C 52 61.765 61.765 61.493 0.272 19340 4839 1 10 . 1 1 52 52 SER CB C 52 62.901 62.901 62.877 0.024 19340 4840 1 10 . 1 1 52 52 SER H H 52 8.442 8.442 7.990 0.452 19340 4841 1 10 . 1 1 53 53 ASN N N 53 119.438 119.438 119.748 -0.310 19340 4842 1 10 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.523 0.117 19340 4843 1 10 . 1 1 53 53 ASN CA C 53 55.993 55.993 55.850 0.143 19340 4844 1 10 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.588 0.920 19340 4845 1 10 . 1 1 53 53 ASN H H 53 7.705 7.705 7.968 -0.263 19340 4846 1 10 . 1 1 54 54 LEU N N 54 120.042 120.042 120.596 -0.554 19340 4847 1 10 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.218 -0.025 19340 4848 1 10 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.316 -0.201 19340 4849 1 10 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.933 1.056 19340 4850 1 10 . 1 1 54 54 LEU H H 54 7.811 7.811 8.584 -0.773 19340 4851 1 10 . 1 1 55 55 GLY N N 55 109.450 109.450 105.827 3.623 19340 4852 1 10 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.387 1.289 19340 4853 1 10 . 1 1 55 55 GLY H H 55 8.074 8.074 8.118 -0.044 19340 4854 1 10 . 1 1 56 56 ASP N N 56 121.016 121.016 117.902 3.114 19340 4855 1 10 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.816 -0.059 19340 4856 1 10 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.604 1.207 19340 4857 1 10 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.570 -1.032 19340 4858 1 10 . 1 1 56 56 ASP H H 56 8.144 8.144 7.441 0.703 19340 4859 1 10 . 1 1 57 57 SER N N 57 113.978 113.978 114.581 -0.603 19340 4860 1 10 . 1 1 57 57 SER HA H 57 4.305 4.305 4.511 -0.206 19340 4861 1 10 . 1 1 57 57 SER CA C 57 60.031 60.031 59.369 0.662 19340 4862 1 10 . 1 1 57 57 SER CB C 57 65.212 65.212 64.201 1.011 19340 4863 1 10 . 1 1 57 57 SER H H 57 7.742 7.742 7.756 -0.014 19340 4864 1 10 . 1 1 58 58 GLY N N 58 110.315 110.315 107.719 2.596 19340 4865 1 10 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.931 0.759 19340 4866 1 10 . 1 1 58 58 GLY H H 58 8.306 8.306 7.858 0.448 19340 4867 1 10 . 1 1 59 59 MET N N 59 120.024 120.024 116.542 3.482 19340 4868 1 10 . 1 1 59 59 MET HA H 59 4.416 4.416 4.837 -0.421 19340 4869 1 10 . 1 1 59 59 MET CA C 59 56.597 56.597 54.742 1.855 19340 4870 1 10 . 1 1 59 59 MET CB C 59 34.328 34.328 34.263 0.065 19340 4871 1 10 . 1 1 59 59 MET H H 59 7.686 7.686 7.339 0.347 19340 4872 1 10 . 1 1 60 60 SER N N 60 122.795 122.795 114.133 8.662 19340 4873 1 10 . 1 1 60 60 SER HA H 60 4.601 4.601 4.784 -0.183 19340 4874 1 10 . 1 1 60 60 SER CA C 60 57.598 57.598 54.753 2.845 19340 4875 1 10 . 1 1 60 60 SER CB C 60 62.511 62.511 65.139 -2.628 19340 4876 1 10 . 1 1 60 60 SER H H 60 9.088 9.088 8.333 0.755 19340 4877 1 10 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.482 -0.267 19340 4878 1 10 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.257 2.365 19340 4879 1 10 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.869 0.092 19340 4880 1 10 . 1 1 62 62 ASN N N 62 113.170 113.170 116.773 -3.603 19340 4881 1 10 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.682 -0.305 19340 4882 1 10 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.768 1.648 19340 4883 1 10 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.973 -1.969 19340 4884 1 10 . 1 1 62 62 ASN H H 62 8.389 8.389 8.468 -0.079 19340 4885 1 10 . 1 1 63 63 GLU N N 63 120.222 120.222 120.535 -0.313 19340 4886 1 10 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.166 -0.414 19340 4887 1 10 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.433 1.235 19340 4888 1 10 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.160 8.677 19340 4889 1 10 . 1 1 63 63 GLU H H 63 7.428 7.428 7.546 -0.118 19340 4890 1 10 . 1 1 64 64 ALA N N 64 120.568 120.568 122.122 -1.554 19340 4891 1 10 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.062 0.014 19340 4892 1 10 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.406 -0.586 19340 4893 1 10 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.550 -0.208 19340 4894 1 10 . 1 1 64 64 ALA H H 64 8.640 8.640 7.800 0.840 19340 4895 1 10 . 1 1 65 65 LYS N N 65 115.104 115.104 116.705 -1.601 19340 4896 1 10 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.004 -0.381 19340 4897 1 10 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.175 1.701 19340 4898 1 10 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.173 0.679 19340 4899 1 10 . 1 1 65 65 LYS H H 65 7.472 7.472 8.275 -0.803 19340 4900 1 10 . 1 1 66 66 VAL N N 66 116.911 116.911 119.242 -2.331 19340 4901 1 10 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.988 -0.437 19340 4902 1 10 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.374 2.930 19340 4903 1 10 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.077 -0.534 19340 4904 1 10 . 1 1 66 66 VAL H H 66 7.045 7.045 7.265 -0.220 19340 4905 1 10 . 1 1 67 67 GLU N N 67 120.755 120.755 119.980 0.775 19340 4906 1 10 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.104 -0.062 19340 4907 1 10 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.941 -1.532 19340 4908 1 10 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.723 3.212 19340 4909 1 10 . 1 1 67 67 GLU H H 67 8.439 8.439 8.535 -0.096 19340 4910 1 10 . 1 1 68 68 VAL N N 68 119.280 119.280 116.170 3.110 19340 4911 1 10 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.896 -0.541 19340 4912 1 10 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.042 1.391 19340 4913 1 10 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.047 -0.395 19340 4914 1 10 . 1 1 68 68 VAL H H 68 8.473 8.473 8.060 0.413 19340 4915 1 10 . 1 1 69 69 LEU N N 69 117.578 117.578 119.620 -2.042 19340 4916 1 10 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.996 -0.038 19340 4917 1 10 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.464 0.893 19340 4918 1 10 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.254 0.844 19340 4919 1 10 . 1 1 69 69 LEU H H 69 7.292 7.292 7.673 -0.381 19340 4920 1 10 . 1 1 70 70 LEU N N 70 118.482 118.482 118.797 -0.315 19340 4921 1 10 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.961 0.020 19340 4922 1 10 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.207 0.167 19340 4923 1 10 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.788 0.393 19340 4924 1 10 . 1 1 70 70 LEU H H 70 8.237 8.237 7.541 0.696 19340 4925 1 10 . 1 1 71 71 GLU N N 71 123.582 123.582 120.184 3.398 19340 4926 1 10 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.985 -0.261 19340 4927 1 10 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.333 1.750 19340 4928 1 10 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.498 7.810 19340 4929 1 10 . 1 1 71 71 GLU H H 71 8.915 8.915 7.924 0.991 19340 4930 1 10 . 1 1 72 72 ALA N N 72 123.321 123.321 122.537 0.784 19340 4931 1 10 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.153 -0.089 19340 4932 1 10 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.363 0.337 19340 4933 1 10 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.399 -0.558 19340 4934 1 10 . 1 1 72 72 ALA H H 72 8.994 8.994 8.362 0.632 19340 4935 1 10 . 1 1 73 73 LEU N N 73 118.574 118.574 118.740 -0.166 19340 4936 1 10 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.033 -0.075 19340 4937 1 10 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.440 0.796 19340 4938 1 10 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.941 0.407 19340 4939 1 10 . 1 1 73 73 LEU H H 73 8.544 8.544 7.453 1.091 19340 4940 1 10 . 1 1 74 74 THR N N 74 115.785 115.785 115.992 -0.207 19340 4941 1 10 . 1 1 74 74 THR HA H 74 3.578 3.578 3.853 -0.275 19340 4942 1 10 . 1 1 74 74 THR CA C 74 68.727 68.727 67.355 1.372 19340 4943 1 10 . 1 1 74 74 THR CB C 74 67.691 67.691 68.509 -0.818 19340 4944 1 10 . 1 1 74 74 THR H H 74 8.137 8.137 8.046 0.091 19340 4945 1 10 . 1 1 75 75 ALA N N 75 123.543 123.543 123.200 0.343 19340 4946 1 10 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.368 -0.672 19340 4947 1 10 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.884 0.678 19340 4948 1 10 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.480 0.893 19340 4949 1 10 . 1 1 75 75 ALA H H 75 8.585 8.585 7.656 0.929 19340 4950 1 10 . 1 1 76 76 ALA N N 76 118.729 118.729 120.909 -2.180 19340 4951 1 10 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.010 -0.236 19340 4952 1 10 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.382 1.059 19340 4953 1 10 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.563 -0.415 19340 4954 1 10 . 1 1 76 76 ALA H H 76 8.199 8.199 7.228 0.971 19340 4955 1 10 . 1 1 77 77 LEU N N 77 117.321 117.321 119.428 -2.107 19340 4956 1 10 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.806 0.069 19340 4957 1 10 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.908 0.294 19340 4958 1 10 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.708 -1.086 19340 4959 1 10 . 1 1 77 77 LEU H H 77 8.265 8.265 8.774 -0.509 19340 4960 1 10 . 1 1 78 78 GLN N N 78 121.687 121.687 117.831 3.856 19340 4961 1 10 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.012 -0.199 19340 4962 1 10 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.405 0.228 19340 4963 1 10 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.298 4.141 19340 4964 1 10 . 1 1 78 78 GLN H H 78 8.776 8.776 7.960 0.816 19340 4965 1 10 . 1 1 79 79 LEU N N 79 120.042 120.042 120.806 -0.764 19340 4966 1 10 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.152 -0.144 19340 4967 1 10 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.421 0.315 19340 4968 1 10 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.185 0.358 19340 4969 1 10 . 1 1 79 79 LEU H H 79 7.990 7.990 7.321 0.669 19340 4970 1 10 . 1 1 80 80 LEU N N 80 122.157 122.157 120.313 1.844 19340 4971 1 10 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.013 -0.189 19340 4972 1 10 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.039 1.050 19340 4973 1 10 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.942 2.462 19340 4974 1 10 . 1 1 80 80 LEU H H 80 8.454 8.454 8.465 -0.011 19340 4975 1 10 . 1 1 81 81 SER N N 81 114.179 114.179 114.527 -0.348 19340 4976 1 10 . 1 1 81 81 SER HA H 81 3.897 3.897 4.250 -0.353 19340 4977 1 10 . 1 1 81 81 SER CA C 81 61.756 61.756 60.609 1.147 19340 4978 1 10 . 1 1 81 81 SER CB C 81 63.486 63.486 62.945 0.541 19340 4979 1 10 . 1 1 81 81 SER H H 81 8.006 8.006 7.908 0.098 19340 4980 1 10 . 1 1 82 82 SER N N 82 113.392 113.392 114.895 -1.503 19340 4981 1 10 . 1 1 82 82 SER HA H 82 4.718 4.718 4.673 0.045 19340 4982 1 10 . 1 1 82 82 SER CA C 82 57.718 57.718 57.413 0.305 19340 4983 1 10 . 1 1 82 82 SER CB C 82 64.377 64.377 63.851 0.526 19340 4984 1 10 . 1 1 82 82 SER H H 82 7.160 7.160 8.034 -0.874 19340 4985 1 10 . 1 1 83 83 SER N N 83 117.607 117.607 118.434 -0.827 19340 4986 1 10 . 1 1 83 83 SER HA H 83 4.885 4.885 4.670 0.215 19340 4987 1 10 . 1 1 83 83 SER CA C 83 59.263 59.263 57.912 1.351 19340 4988 1 10 . 1 1 83 83 SER CB C 83 65.352 65.352 64.969 0.383 19340 4989 1 10 . 1 1 83 83 SER H H 83 7.369 7.369 7.817 -0.448 19340 4990 1 10 . 1 1 84 84 THR N N 84 117.656 117.656 114.579 3.077 19340 4991 1 10 . 1 1 84 84 THR HA H 84 4.545 4.545 4.417 0.128 19340 4992 1 10 . 1 1 84 84 THR CA C 84 62.006 62.006 62.288 -0.281 19340 4993 1 10 . 1 1 84 84 THR CB C 84 69.724 69.724 69.263 0.461 19340 4994 1 10 . 1 1 84 84 THR H H 84 8.488 8.488 8.273 0.215 19340 4995 1 10 . 1 1 85 85 LEU N N 85 130.429 130.429 119.023 11.406 19340 4996 1 10 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.083 0.205 19340 4997 1 10 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.329 0.966 19340 4998 1 10 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.227 2.163 19340 4999 1 10 . 1 1 85 85 LEU H H 85 8.878 8.878 7.720 1.158 19340 5000 1 10 . 1 1 86 86 GLY N N 86 112.150 112.150 107.215 4.935 19340 5001 1 10 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.486 -1.684 19340 5002 1 10 . 1 1 86 86 GLY H H 86 7.901 7.901 8.809 -0.908 19340 5003 1 10 . 1 1 87 87 ALA N N 87 122.559 122.559 123.044 -0.485 19340 5004 1 10 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.400 -0.116 19340 5005 1 10 . 1 1 87 87 ALA CA C 87 51.955 51.955 51.962 -0.007 19340 5006 1 10 . 1 1 87 87 ALA CB C 87 19.345 19.345 20.571 -1.226 19340 5007 1 10 . 1 1 87 87 ALA H H 87 8.113 8.113 7.644 0.469 19340 5008 1 10 . 1 1 88 88 VAL N N 88 122.375 122.375 122.891 -0.516 19340 5009 1 10 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.382 -0.575 19340 5010 1 10 . 1 1 88 88 VAL CA C 88 62.964 62.964 61.649 1.315 19340 5011 1 10 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.892 -0.263 19340 5012 1 10 . 1 1 88 88 VAL H H 88 8.447 8.447 8.444 0.003 19340 5013 1 10 . 1 1 89 89 ASP N N 89 127.408 127.408 130.305 -2.897 19340 5014 1 10 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.683 0.175 19340 5015 1 10 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.347 -1.745 19340 5016 1 10 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.596 1.220 19340 5017 1 10 . 1 1 89 89 ASP H H 89 8.570 8.570 9.019 -0.449 19340 5018 1 10 . 1 1 90 90 THR N N 90 116.481 116.481 113.191 3.290 19340 5019 1 10 . 1 1 90 90 THR HA H 90 3.953 3.953 4.118 -0.165 19340 5020 1 10 . 1 1 90 90 THR CA C 90 63.879 63.879 64.796 -0.917 19340 5021 1 10 . 1 1 90 90 THR CB C 90 68.833 68.833 68.913 -0.080 19340 5022 1 10 . 1 1 90 90 THR H H 90 8.539 8.539 8.420 0.119 19340 5023 1 10 . 1 1 91 91 THR N N 91 114.681 114.681 116.587 -1.906 19340 5024 1 10 . 1 1 91 91 THR HA H 91 4.182 4.182 4.341 -0.159 19340 5025 1 10 . 1 1 91 91 THR CA C 91 64.750 64.750 64.159 0.591 19340 5026 1 10 . 1 1 91 91 THR CB C 91 69.055 69.055 68.603 0.452 19340 5027 1 10 . 1 1 91 91 THR H H 91 8.335 8.335 8.301 0.034 19340 5028 1 10 . 1 1 92 92 SER N N 92 114.236 114.236 116.120 -1.884 19340 5029 1 10 . 1 1 92 92 SER HA H 92 4.668 4.668 4.711 -0.043 19340 5030 1 10 . 1 1 92 92 SER CA C 92 58.460 58.460 58.918 -0.458 19340 5031 1 10 . 1 1 92 92 SER CB C 92 64.433 64.433 63.957 0.476 19340 5032 1 10 . 1 1 92 92 SER H H 92 7.642 7.642 7.905 -0.263 19340 5033 1 10 . 1 1 93 93 ILE N N 93 122.128 122.128 122.884 -0.756 19340 5034 1 10 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.798 0.015 19340 5035 1 10 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.225 -0.095 19340 5036 1 10 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.118 1.081 19340 5037 1 10 . 1 1 93 93 ILE H H 93 7.276 7.276 7.160 0.116 19340 5038 1 10 . 1 1 94 94 GLY N N 94 108.426 108.426 107.174 1.252 19340 5039 1 10 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.172 -0.173 19340 5040 1 10 . 1 1 94 94 GLY H H 94 8.756 8.756 8.710 0.046 19340 5041 1 10 . 1 1 95 95 LEU N N 95 123.674 123.674 122.367 1.307 19340 5042 1 10 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.167 0.115 19340 5043 1 10 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.670 0.358 19340 5044 1 10 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.822 -0.560 19340 5045 1 10 . 1 1 95 95 LEU H H 95 7.568 7.568 7.554 0.014 19340 5046 1 10 . 1 1 96 96 THR N N 96 119.717 119.717 117.109 2.608 19340 5047 1 10 . 1 1 96 96 THR HA H 96 3.837 3.837 3.921 -0.084 19340 5048 1 10 . 1 1 96 96 THR CA C 96 66.683 66.683 67.532 -0.849 19340 5049 1 10 . 1 1 96 96 THR CB C 96 67.969 67.969 68.442 -0.473 19340 5050 1 10 . 1 1 96 96 THR H H 96 8.430 8.430 8.423 0.007 19340 5051 1 10 . 1 1 97 97 SER N N 97 117.285 117.285 116.736 0.549 19340 5052 1 10 . 1 1 97 97 SER HA H 97 4.094 4.094 4.160 -0.066 19340 5053 1 10 . 1 1 97 97 SER CA C 97 62.507 62.507 62.383 0.124 19340 5054 1 10 . 1 1 97 97 SER CB C 97 62.845 62.845 63.081 -0.236 19340 5055 1 10 . 1 1 97 97 SER H H 97 9.000 9.000 8.774 0.226 19340 5056 1 10 . 1 1 98 98 ASN N N 98 121.846 121.846 118.947 2.899 19340 5057 1 10 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.628 -0.240 19340 5058 1 10 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.596 1.286 19340 5059 1 10 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.709 0.125 19340 5060 1 10 . 1 1 98 98 ASN H H 98 7.939 7.939 7.670 0.269 19340 5061 1 10 . 1 1 99 99 SER N N 99 117.585 117.585 117.000 0.585 19340 5062 1 10 . 1 1 99 99 SER HA H 99 4.204 4.204 4.323 -0.119 19340 5063 1 10 . 1 1 99 99 SER CA C 99 62.886 62.886 61.896 0.990 19340 5064 1 10 . 1 1 99 99 SER CB C 99 62.984 62.984 63.227 -0.243 19340 5065 1 10 . 1 1 99 99 SER H H 99 8.370 8.370 8.161 0.209 19340 5066 1 10 . 1 1 100 100 VAL N N 100 121.524 121.524 119.486 2.038 19340 5067 1 10 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.976 -0.425 19340 5068 1 10 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.800 1.151 19340 5069 1 10 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.316 0.338 19340 5070 1 10 . 1 1 100 100 VAL H H 100 8.565 8.565 8.557 0.008 19340 5071 1 10 . 1 1 101 101 SER N N 101 113.005 113.005 116.043 -3.038 19340 5072 1 10 . 1 1 101 101 SER HA H 101 3.875 3.875 4.162 -0.287 19340 5073 1 10 . 1 1 101 101 SER CA C 101 62.326 62.326 61.982 0.344 19340 5074 1 10 . 1 1 101 101 SER CB C 101 63.263 63.263 62.864 0.399 19340 5075 1 10 . 1 1 101 101 SER H H 101 8.272 8.272 7.799 0.473 19340 5076 1 10 . 1 1 102 102 LYS N N 102 119.357 119.357 121.405 -2.048 19340 5077 1 10 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.117 -0.097 19340 5078 1 10 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.068 0.531 19340 5079 1 10 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.449 0.694 19340 5080 1 10 . 1 1 102 102 LYS H H 102 7.953 7.953 7.770 0.183 19340 5081 1 10 . 1 1 103 103 ALA N N 103 120.882 120.882 122.862 -1.980 19340 5082 1 10 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.990 0.253 19340 5083 1 10 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.907 -0.320 19340 5084 1 10 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.279 2.347 19340 5085 1 10 . 1 1 103 103 ALA H H 103 8.049 8.049 8.315 -0.266 19340 5086 1 10 . 1 1 104 104 VAL N N 104 116.191 116.191 118.628 -2.437 19340 5087 1 10 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.373 -0.124 19340 5088 1 10 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.746 0.368 19340 5089 1 10 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.781 -0.767 19340 5090 1 10 . 1 1 104 104 VAL H H 104 8.572 8.572 8.093 0.479 19340 5091 1 10 . 1 1 105 105 ALA N N 105 121.884 121.884 120.459 1.425 19340 5092 1 10 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.223 -0.332 19340 5093 1 10 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.374 0.929 19340 5094 1 10 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.362 0.120 19340 5095 1 10 . 1 1 105 105 ALA H H 105 8.347 8.347 7.730 0.617 19340 5096 1 10 . 1 1 106 106 GLN N N 106 113.657 113.657 118.600 -4.943 19340 5097 1 10 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.121 -0.090 19340 5098 1 10 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.332 0.016 19340 5099 1 10 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.005 6.242 19340 5100 1 10 . 1 1 106 106 GLN H H 106 7.838 7.838 7.917 -0.079 19340 5101 1 10 . 1 1 107 107 ALA N N 107 117.818 117.818 121.185 -3.367 19340 5102 1 10 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.308 -0.054 19340 5103 1 10 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.028 0.127 19340 5104 1 10 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.821 3.337 19340 5105 1 10 . 1 1 107 107 ALA H H 107 8.145 8.145 7.845 0.300 19340 5106 1 10 . 1 1 108 108 LEU N N 108 113.428 113.428 118.483 -5.055 19340 5107 1 10 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.225 0.197 19340 5108 1 10 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.961 -1.556 19340 5109 1 10 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.381 0.274 19340 5110 1 10 . 1 1 108 108 LEU H H 108 8.341 8.341 7.968 0.373 19340 5111 1 11 . 1 1 2 2 SER N N 2 117.112 117.112 116.380 0.732 19340 5112 1 11 . 1 1 2 2 SER HA H 2 4.500 4.500 4.229 0.271 19340 5113 1 11 . 1 1 2 2 SER CA C 2 58.547 58.547 58.028 0.520 19340 5114 1 11 . 1 1 2 2 SER CB C 2 63.820 63.820 64.304 -0.484 19340 5115 1 11 . 1 1 2 2 SER H H 2 8.748 8.748 8.074 0.674 19340 5116 1 11 . 1 1 3 3 PHE N N 3 123.783 123.783 123.290 0.493 19340 5117 1 11 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.480 -0.259 19340 5118 1 11 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.227 1.864 19340 5119 1 11 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.874 -0.007 19340 5120 1 11 . 1 1 3 3 PHE H H 3 8.398 8.398 8.836 -0.438 19340 5121 1 11 . 1 1 4 4 GLY N N 4 106.435 106.435 107.806 -1.371 19340 5122 1 11 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.858 0.361 19340 5123 1 11 . 1 1 4 4 GLY H H 4 8.699 8.699 8.410 0.289 19340 5124 1 11 . 1 1 5 5 LEU N N 5 121.041 121.041 119.106 1.935 19340 5125 1 11 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.275 -0.144 19340 5126 1 11 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.373 0.233 19340 5127 1 11 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.672 0.119 19340 5128 1 11 . 1 1 5 5 LEU H H 5 7.590 7.590 7.359 0.231 19340 5129 1 11 . 1 1 6 6 VAL N N 6 118.980 118.980 114.905 4.075 19340 5130 1 11 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.879 -0.178 19340 5131 1 11 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.438 0.330 19340 5132 1 11 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.620 0.703 19340 5133 1 11 . 1 1 6 6 VAL H H 6 7.630 7.630 7.559 0.071 19340 5134 1 11 . 1 1 7 7 LEU N N 7 120.127 120.127 117.558 2.569 19340 5135 1 11 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.225 0.035 19340 5136 1 11 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.436 0.635 19340 5137 1 11 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.376 0.415 19340 5138 1 11 . 1 1 7 7 LEU H H 7 8.171 8.171 7.524 0.647 19340 5139 1 11 . 1 1 8 8 ASN N N 8 114.592 114.592 114.775 -0.183 19340 5140 1 11 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.790 0.034 19340 5141 1 11 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.008 -0.285 19340 5142 1 11 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.753 -0.412 19340 5143 1 11 . 1 1 8 8 ASN H H 8 7.602 7.602 7.556 0.046 19340 5144 1 11 . 1 1 9 9 SER N N 9 116.029 116.029 116.325 -0.296 19340 5145 1 11 . 1 1 9 9 SER HA H 9 4.690 4.690 4.601 0.089 19340 5146 1 11 . 1 1 9 9 SER CA C 9 56.675 56.675 56.975 -0.300 19340 5147 1 11 . 1 1 9 9 SER CB C 9 64.210 64.210 63.663 0.546 19340 5148 1 11 . 1 1 9 9 SER H H 9 7.186 7.186 7.714 -0.528 19340 5149 1 11 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.459 -0.020 19340 5150 1 11 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.478 0.229 19340 5151 1 11 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.072 -0.028 19340 5152 1 11 . 1 1 11 11 ASN N N 11 114.702 114.702 114.260 0.442 19340 5153 1 11 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.852 0.207 19340 5154 1 11 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.947 0.819 19340 5155 1 11 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.843 2.444 19340 5156 1 11 . 1 1 11 11 ASN H H 11 8.150 8.150 7.945 0.205 19340 5157 1 11 . 1 1 12 12 GLY N N 12 122.938 122.938 109.322 13.616 19340 5158 1 11 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.523 -1.403 19340 5159 1 11 . 1 1 12 12 GLY H H 12 7.324 7.324 7.634 -0.310 19340 5160 1 11 . 1 1 13 13 LEU N N 13 124.662 124.662 119.974 4.688 19340 5161 1 11 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.493 -0.764 19340 5162 1 11 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.394 2.626 19340 5163 1 11 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.223 1.462 19340 5164 1 11 . 1 1 13 13 LEU H H 13 9.253 9.253 8.376 0.877 19340 5165 1 11 . 1 1 14 14 ARG N N 14 113.071 113.071 118.760 -5.689 19340 5166 1 11 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.165 0.123 19340 5167 1 11 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.055 -0.665 19340 5168 1 11 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.302 -0.263 19340 5169 1 11 . 1 1 14 14 ARG H H 14 8.168 8.168 8.269 -0.101 19340 5170 1 11 . 1 1 15 15 SER N N 15 118.055 118.055 113.501 4.554 19340 5171 1 11 . 1 1 15 15 SER HA H 15 4.690 4.690 4.679 0.011 19340 5172 1 11 . 1 1 15 15 SER CA C 15 57.520 57.520 57.285 0.235 19340 5173 1 11 . 1 1 15 15 SER CB C 15 65.463 65.463 64.298 1.165 19340 5174 1 11 . 1 1 15 15 SER H H 15 8.264 8.264 7.716 0.548 19340 5175 1 11 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.320 0.057 19340 5176 1 11 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.982 0.372 19340 5177 1 11 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.933 -0.168 19340 5178 1 11 . 1 1 17 17 GLN N N 17 117.374 117.374 117.504 -0.130 19340 5179 1 11 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.086 0.029 19340 5180 1 11 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.732 0.539 19340 5181 1 11 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.276 0.618 19340 5182 1 11 . 1 1 17 17 GLN H H 17 8.661 8.661 8.785 -0.124 19340 5183 1 11 . 1 1 18 18 ALA N N 18 122.904 122.904 122.932 -0.028 19340 5184 1 11 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.079 -0.210 19340 5185 1 11 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.815 0.574 19340 5186 1 11 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.360 0.957 19340 5187 1 11 . 1 1 18 18 ALA H H 18 7.785 7.785 7.532 0.253 19340 5188 1 11 . 1 1 19 19 LYS N N 19 116.947 116.947 119.288 -2.341 19340 5189 1 11 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.013 -0.261 19340 5190 1 11 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.326 1.404 19340 5191 1 11 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.252 -0.653 19340 5192 1 11 . 1 1 19 19 LYS H H 19 7.410 7.410 7.514 -0.104 19340 5193 1 11 . 1 1 20 20 ALA N N 20 119.887 119.887 121.959 -2.072 19340 5194 1 11 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.031 0.140 19340 5195 1 11 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.039 -0.031 19340 5196 1 11 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.472 -0.185 19340 5197 1 11 . 1 1 20 20 ALA H H 20 7.362 7.362 7.560 -0.198 19340 5198 1 11 . 1 1 21 21 ARG N N 21 118.182 118.182 118.792 -0.610 19340 5199 1 11 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.026 0.022 19340 5200 1 11 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.274 1.318 19340 5201 1 11 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.286 1.730 19340 5202 1 11 . 1 1 21 21 ARG H H 21 7.502 7.502 7.535 -0.034 19340 5203 1 11 . 1 1 22 22 ILE N N 22 122.484 122.484 119.986 2.498 19340 5204 1 11 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.698 -0.153 19340 5205 1 11 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.427 0.583 19340 5206 1 11 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.529 0.475 19340 5207 1 11 . 1 1 22 22 ILE H H 22 9.258 9.258 8.220 1.038 19340 5208 1 11 . 1 1 23 23 ASN N N 23 119.721 119.721 118.673 1.048 19340 5209 1 11 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.292 -0.015 19340 5210 1 11 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.887 0.271 19340 5211 1 11 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.394 0.557 19340 5212 1 11 . 1 1 23 23 ASN H H 23 8.395 8.395 7.941 0.454 19340 5213 1 11 . 1 1 24 24 ASN N N 24 117.554 117.554 118.626 -1.072 19340 5214 1 11 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.505 -0.010 19340 5215 1 11 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.729 0.730 19340 5216 1 11 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.031 -0.077 19340 5217 1 11 . 1 1 24 24 ASN H H 24 8.002 8.002 7.706 0.296 19340 5218 1 11 . 1 1 25 25 LEU N N 25 123.367 123.367 121.913 1.454 19340 5219 1 11 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.144 0.010 19340 5220 1 11 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.306 -0.389 19340 5221 1 11 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.791 1.142 19340 5222 1 11 . 1 1 25 25 LEU H H 25 8.235 8.235 7.707 0.528 19340 5223 1 11 . 1 1 26 26 ALA N N 26 123.137 123.137 120.166 2.971 19340 5224 1 11 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.165 -0.296 19340 5225 1 11 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.851 0.857 19340 5226 1 11 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.294 -1.344 19340 5227 1 11 . 1 1 26 26 ALA H H 26 9.068 9.068 8.477 0.591 19340 5228 1 11 . 1 1 27 27 SER N N 27 113.809 113.809 112.373 1.436 19340 5229 1 11 . 1 1 27 27 SER HA H 27 4.182 4.182 4.385 -0.203 19340 5230 1 11 . 1 1 27 27 SER CA C 27 62.075 62.075 60.056 2.019 19340 5231 1 11 . 1 1 27 27 SER CB C 27 62.929 62.929 64.046 -1.117 19340 5232 1 11 . 1 1 27 27 SER H H 27 8.004 8.004 7.368 0.636 19340 5233 1 11 . 1 1 28 28 ALA N N 28 124.782 124.782 125.594 -0.812 19340 5234 1 11 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.061 0.143 19340 5235 1 11 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.176 0.084 19340 5236 1 11 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.437 -0.735 19340 5237 1 11 . 1 1 28 28 ALA H H 28 7.970 7.970 7.993 -0.023 19340 5238 1 11 . 1 1 29 29 LEU N N 29 117.907 117.907 117.855 0.052 19340 5239 1 11 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.873 -0.049 19340 5240 1 11 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.179 -0.185 19340 5241 1 11 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.466 1.060 19340 5242 1 11 . 1 1 29 29 LEU H H 29 8.960 8.960 8.713 0.247 19340 5243 1 11 . 1 1 30 30 SER N N 30 112.859 112.859 112.482 0.377 19340 5244 1 11 . 1 1 30 30 SER HA H 30 4.076 4.076 4.028 0.048 19340 5245 1 11 . 1 1 30 30 SER CA C 30 61.998 61.998 60.796 1.202 19340 5246 1 11 . 1 1 30 30 SER CB C 30 63.012 63.012 62.850 0.162 19340 5247 1 11 . 1 1 30 30 SER H H 30 7.951 7.951 7.994 -0.043 19340 5248 1 11 . 1 1 31 31 THR N N 31 109.820 109.820 116.342 -6.522 19340 5249 1 11 . 1 1 31 31 THR HA H 31 4.472 4.472 4.216 0.256 19340 5250 1 11 . 1 1 31 31 THR CA C 31 62.731 62.731 64.682 -1.951 19340 5251 1 11 . 1 1 31 31 THR CB C 31 69.362 69.362 69.102 0.260 19340 5252 1 11 . 1 1 31 31 THR H H 31 7.164 7.164 7.487 -0.323 19340 5253 1 11 . 1 1 32 32 ALA N N 32 122.926 122.926 122.791 0.135 19340 5254 1 11 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.335 0.092 19340 5255 1 11 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.588 -0.503 19340 5256 1 11 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.681 0.945 19340 5257 1 11 . 1 1 32 32 ALA H H 32 7.997 7.997 7.576 0.421 19340 5258 1 11 . 1 1 33 33 VAL N N 33 116.339 116.339 112.530 3.809 19340 5259 1 11 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.321 0.140 19340 5260 1 11 . 1 1 33 33 VAL CA C 33 61.601 61.601 61.297 0.304 19340 5261 1 11 . 1 1 33 33 VAL CB C 33 32.629 32.629 32.875 -0.246 19340 5262 1 11 . 1 1 33 33 VAL H H 33 7.550 7.550 7.705 -0.155 19340 5263 1 11 . 1 1 34 34 GLY N N 34 113.114 113.114 111.047 2.067 19340 5264 1 11 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.535 -0.266 19340 5265 1 11 . 1 1 34 34 GLY H H 34 7.886 7.886 7.892 -0.006 19340 5266 1 11 . 1 1 35 35 ARG N N 35 120.709 120.709 121.069 -0.360 19340 5267 1 11 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.265 0.118 19340 5268 1 11 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.182 0.718 19340 5269 1 11 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.889 -0.017 19340 5270 1 11 . 1 1 35 35 ARG H H 35 8.773 8.773 8.580 0.193 19340 5271 1 11 . 1 1 36 36 ASN N N 36 114.578 114.578 116.511 -1.933 19340 5272 1 11 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.731 0.093 19340 5273 1 11 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.299 0.795 19340 5274 1 11 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.276 0.341 19340 5275 1 11 . 1 1 36 36 ASN H H 36 8.628 8.628 7.996 0.632 19340 5276 1 11 . 1 1 37 37 GLY N N 37 108.462 108.462 109.987 -1.525 19340 5277 1 11 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.921 -1.204 19340 5278 1 11 . 1 1 37 37 GLY H H 37 7.880 7.880 7.881 -0.001 19340 5279 1 11 . 1 1 38 38 VAL N N 38 121.761 121.761 120.957 0.804 19340 5280 1 11 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.340 0.037 19340 5281 1 11 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.655 -0.589 19340 5282 1 11 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.312 -0.541 19340 5283 1 11 . 1 1 38 38 VAL H H 38 8.565 8.565 7.765 0.800 19340 5284 1 11 . 1 1 39 39 ASP N N 39 127.585 127.585 129.441 -1.856 19340 5285 1 11 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.829 -0.178 19340 5286 1 11 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.034 0.811 19340 5287 1 11 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.973 0.456 19340 5288 1 11 . 1 1 39 39 ASP H H 39 9.007 9.007 7.645 1.362 19340 5289 1 11 . 1 1 40 40 VAL N N 40 129.021 129.021 125.744 3.277 19340 5290 1 11 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.803 -0.308 19340 5291 1 11 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.931 1.468 19340 5292 1 11 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.640 0.711 19340 5293 1 11 . 1 1 40 40 VAL H H 40 8.632 8.632 8.248 0.384 19340 5294 1 11 . 1 1 41 41 ASN N N 41 122.301 122.301 117.990 4.311 19340 5295 1 11 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.373 0.077 19340 5296 1 11 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.629 0.382 19340 5297 1 11 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.022 -0.185 19340 5298 1 11 . 1 1 41 41 ASN H H 41 8.673 8.673 8.461 0.212 19340 5299 1 11 . 1 1 42 42 ALA N N 42 124.313 124.313 122.729 1.584 19340 5300 1 11 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.250 -0.052 19340 5301 1 11 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.608 0.263 19340 5302 1 11 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.413 0.264 19340 5303 1 11 . 1 1 42 42 ALA H H 42 8.420 8.420 7.555 0.865 19340 5304 1 11 . 1 1 43 43 PHE N N 43 119.198 119.198 119.809 -0.611 19340 5305 1 11 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.213 0.270 19340 5306 1 11 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.095 -0.928 19340 5307 1 11 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.560 0.614 19340 5308 1 11 . 1 1 43 43 PHE H H 43 8.611 8.611 8.812 -0.201 19340 5309 1 11 . 1 1 44 44 THR N N 44 116.700 116.700 114.243 2.457 19340 5310 1 11 . 1 1 44 44 THR HA H 44 4.349 4.349 3.748 0.601 19340 5311 1 11 . 1 1 44 44 THR CA C 44 68.443 68.443 65.713 2.730 19340 5312 1 11 . 1 1 44 44 THR CB C 44 68.248 68.248 68.347 -0.099 19340 5313 1 11 . 1 1 44 44 THR H H 44 8.881 8.881 8.760 0.121 19340 5314 1 11 . 1 1 45 45 SER N N 45 116.018 116.018 116.869 -0.851 19340 5315 1 11 . 1 1 45 45 SER HA H 45 4.117 4.117 4.185 -0.068 19340 5316 1 11 . 1 1 45 45 SER CA C 45 62.507 62.507 62.335 0.172 19340 5317 1 11 . 1 1 45 45 SER CB C 45 62.706 62.706 62.991 -0.285 19340 5318 1 11 . 1 1 45 45 SER H H 45 8.020 8.020 7.726 0.294 19340 5319 1 11 . 1 1 46 46 GLY N N 46 108.460 108.460 108.891 -0.431 19340 5320 1 11 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.737 0.369 19340 5321 1 11 . 1 1 46 46 GLY H H 46 7.871 7.871 7.685 0.186 19340 5322 1 11 . 1 1 47 47 LEU N N 47 123.148 123.148 122.765 0.383 19340 5323 1 11 . 1 1 47 47 LEU HA H 47 3.830 3.830 4.009 -0.179 19340 5324 1 11 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.195 1.145 19340 5325 1 11 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.388 1.044 19340 5326 1 11 . 1 1 47 47 LEU H H 47 8.221 8.221 7.388 0.833 19340 5327 1 11 . 1 1 48 48 ARG N N 48 118.694 118.694 119.032 -0.338 19340 5328 1 11 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.928 -0.081 19340 5329 1 11 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.911 0.327 19340 5330 1 11 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.808 0.537 19340 5331 1 11 . 1 1 48 48 ARG H H 48 8.646 8.646 8.375 0.271 19340 5332 1 11 . 1 1 49 49 ALA N N 49 122.114 122.114 120.207 1.907 19340 5333 1 11 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.274 -0.115 19340 5334 1 11 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.938 0.271 19340 5335 1 11 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.184 -0.092 19340 5336 1 11 . 1 1 49 49 ALA H H 49 8.078 8.078 7.608 0.470 19340 5337 1 11 . 1 1 50 50 THR N N 50 115.708 115.708 116.359 -0.651 19340 5338 1 11 . 1 1 50 50 THR HA H 50 3.696 3.696 4.109 -0.413 19340 5339 1 11 . 1 1 50 50 THR CA C 50 67.692 67.692 66.156 1.536 19340 5340 1 11 . 1 1 50 50 THR CB C 50 68.599 68.599 68.569 0.030 19340 5341 1 11 . 1 1 50 50 THR H H 50 7.577 7.577 7.576 0.001 19340 5342 1 11 . 1 1 51 51 LEU N N 51 121.108 121.108 123.236 -2.128 19340 5343 1 11 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.149 -0.358 19340 5344 1 11 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.694 0.559 19340 5345 1 11 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.778 1.208 19340 5346 1 11 . 1 1 51 51 LEU H H 51 8.014 8.014 8.780 -0.766 19340 5347 1 11 . 1 1 52 52 SER N N 52 115.122 115.122 114.016 1.106 19340 5348 1 11 . 1 1 52 52 SER HA H 52 4.154 4.154 4.138 0.016 19340 5349 1 11 . 1 1 52 52 SER CA C 52 61.765 61.765 61.221 0.544 19340 5350 1 11 . 1 1 52 52 SER CB C 52 62.901 62.901 62.810 0.091 19340 5351 1 11 . 1 1 52 52 SER H H 52 8.442 8.442 7.895 0.547 19340 5352 1 11 . 1 1 53 53 ASN N N 53 119.438 119.438 119.640 -0.202 19340 5353 1 11 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.532 0.108 19340 5354 1 11 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.164 -0.171 19340 5355 1 11 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.900 0.608 19340 5356 1 11 . 1 1 53 53 ASN H H 53 7.705 7.705 7.687 0.018 19340 5357 1 11 . 1 1 54 54 LEU N N 54 120.042 120.042 120.611 -0.569 19340 5358 1 11 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.228 -0.035 19340 5359 1 11 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.173 -0.058 19340 5360 1 11 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.007 0.982 19340 5361 1 11 . 1 1 54 54 LEU H H 54 7.811 7.811 8.623 -0.812 19340 5362 1 11 . 1 1 55 55 GLY N N 55 109.450 109.450 106.073 3.377 19340 5363 1 11 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.465 1.211 19340 5364 1 11 . 1 1 55 55 GLY H H 55 8.074 8.074 8.110 -0.036 19340 5365 1 11 . 1 1 56 56 ASP N N 56 121.016 121.016 117.729 3.287 19340 5366 1 11 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.814 -0.057 19340 5367 1 11 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.103 1.708 19340 5368 1 11 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.332 -0.794 19340 5369 1 11 . 1 1 56 56 ASP H H 56 8.144 8.144 7.429 0.715 19340 5370 1 11 . 1 1 57 57 SER N N 57 113.978 113.978 114.808 -0.830 19340 5371 1 11 . 1 1 57 57 SER HA H 57 4.305 4.305 4.478 -0.173 19340 5372 1 11 . 1 1 57 57 SER CA C 57 60.031 60.031 59.976 0.055 19340 5373 1 11 . 1 1 57 57 SER CB C 57 65.212 65.212 64.515 0.697 19340 5374 1 11 . 1 1 57 57 SER H H 57 7.742 7.742 7.831 -0.089 19340 5375 1 11 . 1 1 58 58 GLY N N 58 110.315 110.315 107.749 2.566 19340 5376 1 11 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.978 0.712 19340 5377 1 11 . 1 1 58 58 GLY H H 58 8.306 8.306 7.924 0.382 19340 5378 1 11 . 1 1 59 59 MET N N 59 120.024 120.024 116.834 3.190 19340 5379 1 11 . 1 1 59 59 MET HA H 59 4.416 4.416 4.870 -0.454 19340 5380 1 11 . 1 1 59 59 MET CA C 59 56.597 56.597 54.583 2.014 19340 5381 1 11 . 1 1 59 59 MET CB C 59 34.328 34.328 34.393 -0.065 19340 5382 1 11 . 1 1 59 59 MET H H 59 7.686 7.686 7.302 0.384 19340 5383 1 11 . 1 1 60 60 SER N N 60 122.795 122.795 114.400 8.395 19340 5384 1 11 . 1 1 60 60 SER HA H 60 4.601 4.601 4.797 -0.196 19340 5385 1 11 . 1 1 60 60 SER CA C 60 57.598 57.598 55.056 2.542 19340 5386 1 11 . 1 1 60 60 SER CB C 60 62.511 62.511 65.042 -2.531 19340 5387 1 11 . 1 1 60 60 SER H H 60 9.088 9.088 8.299 0.789 19340 5388 1 11 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.483 -0.268 19340 5389 1 11 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.269 2.353 19340 5390 1 11 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.860 0.101 19340 5391 1 11 . 1 1 62 62 ASN N N 62 113.170 113.170 116.936 -3.766 19340 5392 1 11 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.653 -0.276 19340 5393 1 11 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.907 1.509 19340 5394 1 11 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.926 -1.922 19340 5395 1 11 . 1 1 62 62 ASN H H 62 8.389 8.389 8.402 -0.013 19340 5396 1 11 . 1 1 63 63 GLU N N 63 120.222 120.222 120.493 -0.271 19340 5397 1 11 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.145 -0.393 19340 5398 1 11 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.427 1.241 19340 5399 1 11 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.143 8.694 19340 5400 1 11 . 1 1 63 63 GLU H H 63 7.428 7.428 7.628 -0.200 19340 5401 1 11 . 1 1 64 64 ALA N N 64 120.568 120.568 122.201 -1.633 19340 5402 1 11 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.059 0.017 19340 5403 1 11 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.394 -0.574 19340 5404 1 11 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.516 -0.174 19340 5405 1 11 . 1 1 64 64 ALA H H 64 8.640 8.640 7.832 0.808 19340 5406 1 11 . 1 1 65 65 LYS N N 65 115.104 115.104 116.722 -1.618 19340 5407 1 11 . 1 1 65 65 LYS HA H 65 3.623 3.623 3.996 -0.373 19340 5408 1 11 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.175 1.701 19340 5409 1 11 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.180 0.672 19340 5410 1 11 . 1 1 65 65 LYS H H 65 7.472 7.472 8.247 -0.775 19340 5411 1 11 . 1 1 66 66 VAL N N 66 116.911 116.911 119.203 -2.292 19340 5412 1 11 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.981 -0.430 19340 5413 1 11 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.389 2.915 19340 5414 1 11 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.001 -0.458 19340 5415 1 11 . 1 1 66 66 VAL H H 66 7.045 7.045 7.260 -0.215 19340 5416 1 11 . 1 1 67 67 GLU N N 67 120.755 120.755 119.858 0.897 19340 5417 1 11 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.139 -0.097 19340 5418 1 11 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.949 -1.540 19340 5419 1 11 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.829 3.106 19340 5420 1 11 . 1 1 67 67 GLU H H 67 8.439 8.439 8.554 -0.115 19340 5421 1 11 . 1 1 68 68 VAL N N 68 119.280 119.280 116.307 2.973 19340 5422 1 11 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.620 -0.265 19340 5423 1 11 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.995 1.438 19340 5424 1 11 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.339 -0.687 19340 5425 1 11 . 1 1 68 68 VAL H H 68 8.473 8.473 8.070 0.403 19340 5426 1 11 . 1 1 69 69 LEU N N 69 117.578 117.578 119.117 -1.539 19340 5427 1 11 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.025 -0.067 19340 5428 1 11 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.368 0.989 19340 5429 1 11 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.417 0.681 19340 5430 1 11 . 1 1 69 69 LEU H H 69 7.292 7.292 7.590 -0.298 19340 5431 1 11 . 1 1 70 70 LEU N N 70 118.482 118.482 118.851 -0.369 19340 5432 1 11 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.963 0.018 19340 5433 1 11 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.275 0.099 19340 5434 1 11 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.776 0.405 19340 5435 1 11 . 1 1 70 70 LEU H H 70 8.237 8.237 7.579 0.658 19340 5436 1 11 . 1 1 71 71 GLU N N 71 123.582 123.582 119.971 3.611 19340 5437 1 11 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.950 -0.226 19340 5438 1 11 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.609 1.474 19340 5439 1 11 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.639 7.669 19340 5440 1 11 . 1 1 71 71 GLU H H 71 8.915 8.915 7.714 1.201 19340 5441 1 11 . 1 1 72 72 ALA N N 72 123.321 123.321 122.198 1.123 19340 5442 1 11 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.162 -0.098 19340 5443 1 11 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.358 0.342 19340 5444 1 11 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.458 -0.617 19340 5445 1 11 . 1 1 72 72 ALA H H 72 8.994 8.994 7.979 1.015 19340 5446 1 11 . 1 1 73 73 LEU N N 73 118.574 118.574 118.902 -0.328 19340 5447 1 11 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.030 -0.072 19340 5448 1 11 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.539 0.697 19340 5449 1 11 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.988 0.360 19340 5450 1 11 . 1 1 73 73 LEU H H 73 8.544 8.544 7.409 1.135 19340 5451 1 11 . 1 1 74 74 THR N N 74 115.785 115.785 115.981 -0.196 19340 5452 1 11 . 1 1 74 74 THR HA H 74 3.578 3.578 3.856 -0.278 19340 5453 1 11 . 1 1 74 74 THR CA C 74 68.727 68.727 67.343 1.384 19340 5454 1 11 . 1 1 74 74 THR CB C 74 67.691 67.691 68.546 -0.855 19340 5455 1 11 . 1 1 74 74 THR H H 74 8.137 8.137 8.208 -0.071 19340 5456 1 11 . 1 1 75 75 ALA N N 75 123.543 123.543 122.812 0.731 19340 5457 1 11 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.051 -0.355 19340 5458 1 11 . 1 1 75 75 ALA CA C 75 55.562 55.562 55.098 0.464 19340 5459 1 11 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.299 1.074 19340 5460 1 11 . 1 1 75 75 ALA H H 75 8.585 8.585 7.742 0.843 19340 5461 1 11 . 1 1 76 76 ALA N N 76 118.729 118.729 120.921 -2.192 19340 5462 1 11 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.040 -0.266 19340 5463 1 11 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.368 1.073 19340 5464 1 11 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.660 -0.512 19340 5465 1 11 . 1 1 76 76 ALA H H 76 8.199 8.199 7.217 0.982 19340 5466 1 11 . 1 1 77 77 LEU N N 77 117.321 117.321 119.211 -1.890 19340 5467 1 11 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.838 0.037 19340 5468 1 11 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.730 0.472 19340 5469 1 11 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.768 -1.146 19340 5470 1 11 . 1 1 77 77 LEU H H 77 8.265 8.265 8.779 -0.514 19340 5471 1 11 . 1 1 78 78 GLN N N 78 121.687 121.687 117.939 3.748 19340 5472 1 11 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.063 -0.250 19340 5473 1 11 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.179 0.454 19340 5474 1 11 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.086 4.353 19340 5475 1 11 . 1 1 78 78 GLN H H 78 8.776 8.776 8.136 0.640 19340 5476 1 11 . 1 1 79 79 LEU N N 79 120.042 120.042 120.152 -0.110 19340 5477 1 11 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.179 -0.171 19340 5478 1 11 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.435 0.301 19340 5479 1 11 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.168 0.375 19340 5480 1 11 . 1 1 79 79 LEU H H 79 7.990 7.990 7.328 0.662 19340 5481 1 11 . 1 1 80 80 LEU N N 80 122.157 122.157 120.423 1.734 19340 5482 1 11 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.027 -0.203 19340 5483 1 11 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.330 0.759 19340 5484 1 11 . 1 1 80 80 LEU CB C 80 42.404 42.404 40.174 2.230 19340 5485 1 11 . 1 1 80 80 LEU H H 80 8.454 8.454 8.623 -0.169 19340 5486 1 11 . 1 1 81 81 SER N N 81 114.179 114.179 112.875 1.304 19340 5487 1 11 . 1 1 81 81 SER HA H 81 3.897 3.897 4.221 -0.324 19340 5488 1 11 . 1 1 81 81 SER CA C 81 61.756 61.756 60.659 1.097 19340 5489 1 11 . 1 1 81 81 SER CB C 81 63.486 63.486 62.849 0.637 19340 5490 1 11 . 1 1 81 81 SER H H 81 8.006 8.006 8.068 -0.062 19340 5491 1 11 . 1 1 82 82 SER N N 82 113.392 113.392 114.576 -1.184 19340 5492 1 11 . 1 1 82 82 SER HA H 82 4.718 4.718 4.684 0.034 19340 5493 1 11 . 1 1 82 82 SER CA C 82 57.718 57.718 57.978 -0.260 19340 5494 1 11 . 1 1 82 82 SER CB C 82 64.377 64.377 64.026 0.351 19340 5495 1 11 . 1 1 82 82 SER H H 82 7.160 7.160 7.918 -0.758 19340 5496 1 11 . 1 1 83 83 SER N N 83 117.607 117.607 116.813 0.794 19340 5497 1 11 . 1 1 83 83 SER HA H 83 4.885 4.885 4.714 0.171 19340 5498 1 11 . 1 1 83 83 SER CA C 83 59.263 59.263 58.112 1.151 19340 5499 1 11 . 1 1 83 83 SER CB C 83 65.352 65.352 65.405 -0.053 19340 5500 1 11 . 1 1 83 83 SER H H 83 7.369 7.369 7.798 -0.429 19340 5501 1 11 . 1 1 84 84 THR N N 84 117.656 117.656 114.485 3.171 19340 5502 1 11 . 1 1 84 84 THR HA H 84 4.545 4.545 4.423 0.122 19340 5503 1 11 . 1 1 84 84 THR CA C 84 62.006 62.006 62.253 -0.247 19340 5504 1 11 . 1 1 84 84 THR CB C 84 69.724 69.724 69.230 0.494 19340 5505 1 11 . 1 1 84 84 THR H H 84 8.488 8.488 8.264 0.224 19340 5506 1 11 . 1 1 85 85 LEU N N 85 130.429 130.429 119.318 11.111 19340 5507 1 11 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.110 0.178 19340 5508 1 11 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.278 1.017 19340 5509 1 11 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.436 1.954 19340 5510 1 11 . 1 1 85 85 LEU H H 85 8.878 8.878 7.665 1.213 19340 5511 1 11 . 1 1 86 86 GLY N N 86 112.150 112.150 107.078 5.072 19340 5512 1 11 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.605 -1.803 19340 5513 1 11 . 1 1 86 86 GLY H H 86 7.901 7.901 8.883 -0.982 19340 5514 1 11 . 1 1 87 87 ALA N N 87 122.559 122.559 122.420 0.139 19340 5515 1 11 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.478 -0.194 19340 5516 1 11 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.104 -0.149 19340 5517 1 11 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.711 -0.366 19340 5518 1 11 . 1 1 87 87 ALA H H 87 8.113 8.113 7.594 0.519 19340 5519 1 11 . 1 1 88 88 VAL N N 88 122.375 122.375 117.905 4.470 19340 5520 1 11 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.281 -0.474 19340 5521 1 11 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.682 0.282 19340 5522 1 11 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.778 -0.149 19340 5523 1 11 . 1 1 88 88 VAL H H 88 8.447 8.447 8.326 0.121 19340 5524 1 11 . 1 1 89 89 ASP N N 89 127.408 127.408 119.705 7.703 19340 5525 1 11 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.490 0.368 19340 5526 1 11 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.764 -2.162 19340 5527 1 11 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.106 0.711 19340 5528 1 11 . 1 1 89 89 ASP H H 89 8.570 8.570 8.437 0.133 19340 5529 1 11 . 1 1 90 90 THR N N 90 116.481 116.481 109.675 6.806 19340 5530 1 11 . 1 1 90 90 THR HA H 90 3.953 3.953 4.113 -0.160 19340 5531 1 11 . 1 1 90 90 THR CA C 90 63.879 63.879 64.112 -0.233 19340 5532 1 11 . 1 1 90 90 THR CB C 90 68.833 68.833 69.099 -0.266 19340 5533 1 11 . 1 1 90 90 THR H H 90 8.539 8.539 8.278 0.261 19340 5534 1 11 . 1 1 91 91 THR N N 91 114.681 114.681 116.373 -1.692 19340 5535 1 11 . 1 1 91 91 THR HA H 91 4.182 4.182 4.258 -0.076 19340 5536 1 11 . 1 1 91 91 THR CA C 91 64.750 64.750 64.609 0.142 19340 5537 1 11 . 1 1 91 91 THR CB C 91 69.055 69.055 68.812 0.243 19340 5538 1 11 . 1 1 91 91 THR H H 91 8.335 8.335 7.907 0.428 19340 5539 1 11 . 1 1 92 92 SER N N 92 114.236 114.236 117.249 -3.013 19340 5540 1 11 . 1 1 92 92 SER HA H 92 4.668 4.668 4.544 0.124 19340 5541 1 11 . 1 1 92 92 SER CA C 92 58.460 58.460 58.673 -0.213 19340 5542 1 11 . 1 1 92 92 SER CB C 92 64.433 64.433 63.248 1.185 19340 5543 1 11 . 1 1 92 92 SER H H 92 7.642 7.642 7.554 0.088 19340 5544 1 11 . 1 1 93 93 ILE N N 93 122.128 122.128 123.248 -1.120 19340 5545 1 11 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.777 0.036 19340 5546 1 11 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.091 0.038 19340 5547 1 11 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.212 0.987 19340 5548 1 11 . 1 1 93 93 ILE H H 93 7.276 7.276 7.153 0.123 19340 5549 1 11 . 1 1 94 94 GLY N N 94 108.426 108.426 107.015 1.411 19340 5550 1 11 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.237 -0.238 19340 5551 1 11 . 1 1 94 94 GLY H H 94 8.756 8.756 8.613 0.143 19340 5552 1 11 . 1 1 95 95 LEU N N 95 123.674 123.674 122.683 0.991 19340 5553 1 11 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.151 0.131 19340 5554 1 11 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.702 0.327 19340 5555 1 11 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.577 -0.315 19340 5556 1 11 . 1 1 95 95 LEU H H 95 7.568 7.568 7.583 -0.015 19340 5557 1 11 . 1 1 96 96 THR N N 96 119.717 119.717 116.550 3.167 19340 5558 1 11 . 1 1 96 96 THR HA H 96 3.837 3.837 3.913 -0.076 19340 5559 1 11 . 1 1 96 96 THR CA C 96 66.683 66.683 67.523 -0.840 19340 5560 1 11 . 1 1 96 96 THR CB C 96 67.969 67.969 68.561 -0.592 19340 5561 1 11 . 1 1 96 96 THR H H 96 8.430 8.430 8.505 -0.075 19340 5562 1 11 . 1 1 97 97 SER N N 97 117.285 117.285 116.872 0.413 19340 5563 1 11 . 1 1 97 97 SER HA H 97 4.094 4.094 4.104 -0.010 19340 5564 1 11 . 1 1 97 97 SER CA C 97 62.507 62.507 61.739 0.768 19340 5565 1 11 . 1 1 97 97 SER CB C 97 62.845 62.845 62.948 -0.103 19340 5566 1 11 . 1 1 97 97 SER H H 97 9.000 9.000 8.820 0.180 19340 5567 1 11 . 1 1 98 98 ASN N N 98 121.846 121.846 119.665 2.181 19340 5568 1 11 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.640 -0.252 19340 5569 1 11 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.431 1.451 19340 5570 1 11 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.702 0.132 19340 5571 1 11 . 1 1 98 98 ASN H H 98 7.939 7.939 7.752 0.187 19340 5572 1 11 . 1 1 99 99 SER N N 99 117.585 117.585 117.140 0.445 19340 5573 1 11 . 1 1 99 99 SER HA H 99 4.204 4.204 4.273 -0.069 19340 5574 1 11 . 1 1 99 99 SER CA C 99 62.886 62.886 62.789 0.097 19340 5575 1 11 . 1 1 99 99 SER CB C 99 62.984 62.984 63.424 -0.440 19340 5576 1 11 . 1 1 99 99 SER H H 99 8.370 8.370 8.148 0.222 19340 5577 1 11 . 1 1 100 100 VAL N N 100 121.524 121.524 119.284 2.240 19340 5578 1 11 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.894 -0.343 19340 5579 1 11 . 1 1 100 100 VAL CA C 100 67.951 67.951 67.156 0.795 19340 5580 1 11 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.477 0.177 19340 5581 1 11 . 1 1 100 100 VAL H H 100 8.565 8.565 8.536 0.029 19340 5582 1 11 . 1 1 101 101 SER N N 101 113.005 113.005 115.766 -2.761 19340 5583 1 11 . 1 1 101 101 SER HA H 101 3.875 3.875 4.126 -0.251 19340 5584 1 11 . 1 1 101 101 SER CA C 101 62.326 62.326 61.760 0.566 19340 5585 1 11 . 1 1 101 101 SER CB C 101 63.263 63.263 62.769 0.494 19340 5586 1 11 . 1 1 101 101 SER H H 101 8.272 8.272 7.784 0.488 19340 5587 1 11 . 1 1 102 102 LYS N N 102 119.357 119.357 121.158 -1.801 19340 5588 1 11 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.119 -0.099 19340 5589 1 11 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.046 0.553 19340 5590 1 11 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.448 0.695 19340 5591 1 11 . 1 1 102 102 LYS H H 102 7.953 7.953 7.685 0.268 19340 5592 1 11 . 1 1 103 103 ALA N N 103 120.882 120.882 122.939 -2.057 19340 5593 1 11 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.979 0.264 19340 5594 1 11 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.909 -0.322 19340 5595 1 11 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.253 2.373 19340 5596 1 11 . 1 1 103 103 ALA H H 103 8.049 8.049 8.295 -0.246 19340 5597 1 11 . 1 1 104 104 VAL N N 104 116.191 116.191 118.781 -2.590 19340 5598 1 11 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.411 -0.162 19340 5599 1 11 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.640 0.474 19340 5600 1 11 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.673 -0.659 19340 5601 1 11 . 1 1 104 104 VAL H H 104 8.572 8.572 8.244 0.328 19340 5602 1 11 . 1 1 105 105 ALA N N 105 121.884 121.884 120.486 1.398 19340 5603 1 11 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.213 -0.322 19340 5604 1 11 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.395 0.908 19340 5605 1 11 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.351 0.131 19340 5606 1 11 . 1 1 105 105 ALA H H 105 8.347 8.347 7.691 0.656 19340 5607 1 11 . 1 1 106 106 GLN N N 106 113.657 113.657 118.731 -5.074 19340 5608 1 11 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.133 -0.102 19340 5609 1 11 . 1 1 106 106 GLN CA C 106 58.348 58.348 57.498 0.850 19340 5610 1 11 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.125 6.122 19340 5611 1 11 . 1 1 106 106 GLN H H 106 7.838 7.838 8.008 -0.170 19340 5612 1 11 . 1 1 107 107 ALA N N 107 117.818 117.818 120.704 -2.886 19340 5613 1 11 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.317 -0.063 19340 5614 1 11 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.750 0.405 19340 5615 1 11 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.476 2.683 19340 5616 1 11 . 1 1 107 107 ALA H H 107 8.145 8.145 7.821 0.324 19340 5617 1 11 . 1 1 108 108 LEU N N 108 113.428 113.428 118.543 -5.115 19340 5618 1 11 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.204 0.218 19340 5619 1 11 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.933 -1.528 19340 5620 1 11 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.348 0.307 19340 5621 1 11 . 1 1 108 108 LEU H H 108 8.341 8.341 7.984 0.357 19340 5622 1 12 . 1 1 2 2 SER N N 2 117.112 117.112 116.411 0.701 19340 5623 1 12 . 1 1 2 2 SER HA H 2 4.500 4.500 4.261 0.239 19340 5624 1 12 . 1 1 2 2 SER CA C 2 58.547 58.547 58.041 0.506 19340 5625 1 12 . 1 1 2 2 SER CB C 2 63.820 63.820 64.358 -0.538 19340 5626 1 12 . 1 1 2 2 SER H H 2 8.748 8.748 8.103 0.645 19340 5627 1 12 . 1 1 3 3 PHE N N 3 123.783 123.783 123.830 -0.047 19340 5628 1 12 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.470 -0.249 19340 5629 1 12 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.446 1.645 19340 5630 1 12 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.967 -0.100 19340 5631 1 12 . 1 1 3 3 PHE H H 3 8.398 8.398 8.887 -0.489 19340 5632 1 12 . 1 1 4 4 GLY N N 4 106.435 106.435 107.928 -1.493 19340 5633 1 12 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.736 0.483 19340 5634 1 12 . 1 1 4 4 GLY H H 4 8.699 8.699 8.437 0.262 19340 5635 1 12 . 1 1 5 5 LEU N N 5 121.041 121.041 119.974 1.067 19340 5636 1 12 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.299 -0.168 19340 5637 1 12 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.505 0.101 19340 5638 1 12 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.588 0.203 19340 5639 1 12 . 1 1 5 5 LEU H H 5 7.590 7.590 7.751 -0.161 19340 5640 1 12 . 1 1 6 6 VAL N N 6 118.980 118.980 114.990 3.990 19340 5641 1 12 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.982 -0.281 19340 5642 1 12 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.423 0.345 19340 5643 1 12 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.634 0.689 19340 5644 1 12 . 1 1 6 6 VAL H H 6 7.630 7.630 7.625 0.005 19340 5645 1 12 . 1 1 7 7 LEU N N 7 120.127 120.127 118.029 2.098 19340 5646 1 12 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.258 0.002 19340 5647 1 12 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.662 0.409 19340 5648 1 12 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.602 0.189 19340 5649 1 12 . 1 1 7 7 LEU H H 7 8.171 8.171 7.640 0.531 19340 5650 1 12 . 1 1 8 8 ASN N N 8 114.592 114.592 115.507 -0.915 19340 5651 1 12 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.763 0.061 19340 5652 1 12 . 1 1 8 8 ASN CA C 8 52.723 52.723 52.916 -0.193 19340 5653 1 12 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.915 -0.574 19340 5654 1 12 . 1 1 8 8 ASN H H 8 7.602 7.602 7.587 0.015 19340 5655 1 12 . 1 1 9 9 SER N N 9 116.029 116.029 117.025 -0.996 19340 5656 1 12 . 1 1 9 9 SER HA H 9 4.690 4.690 4.474 0.216 19340 5657 1 12 . 1 1 9 9 SER CA C 9 56.675 56.675 58.178 -1.502 19340 5658 1 12 . 1 1 9 9 SER CB C 9 64.210 64.210 63.589 0.621 19340 5659 1 12 . 1 1 9 9 SER H H 9 7.186 7.186 7.697 -0.511 19340 5660 1 12 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.464 -0.025 19340 5661 1 12 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.589 0.118 19340 5662 1 12 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.078 -0.034 19340 5663 1 12 . 1 1 11 11 ASN N N 11 114.702 114.702 113.243 1.459 19340 5664 1 12 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.836 0.223 19340 5665 1 12 . 1 1 11 11 ASN CA C 11 52.766 52.766 52.145 0.621 19340 5666 1 12 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.191 2.096 19340 5667 1 12 . 1 1 11 11 ASN H H 11 8.150 8.150 7.984 0.166 19340 5668 1 12 . 1 1 12 12 GLY N N 12 122.938 122.938 109.866 13.072 19340 5669 1 12 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.053 -1.932 19340 5670 1 12 . 1 1 12 12 GLY H H 12 7.324 7.324 7.614 -0.290 19340 5671 1 12 . 1 1 13 13 LEU N N 13 124.662 124.662 119.709 4.953 19340 5672 1 12 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.555 -0.826 19340 5673 1 12 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.004 3.016 19340 5674 1 12 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.457 1.228 19340 5675 1 12 . 1 1 13 13 LEU H H 13 9.253 9.253 8.183 1.070 19340 5676 1 12 . 1 1 14 14 ARG N N 14 113.071 113.071 118.578 -5.507 19340 5677 1 12 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.188 0.100 19340 5678 1 12 . 1 1 14 14 ARG CA C 14 56.390 56.390 56.918 -0.528 19340 5679 1 12 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.515 -0.476 19340 5680 1 12 . 1 1 14 14 ARG H H 14 8.168 8.168 7.616 0.552 19340 5681 1 12 . 1 1 15 15 SER N N 15 118.055 118.055 114.520 3.535 19340 5682 1 12 . 1 1 15 15 SER HA H 15 4.690 4.690 4.742 -0.052 19340 5683 1 12 . 1 1 15 15 SER CA C 15 57.520 57.520 56.526 0.994 19340 5684 1 12 . 1 1 15 15 SER CB C 15 65.463 65.463 64.489 0.974 19340 5685 1 12 . 1 1 15 15 SER H H 15 8.264 8.264 7.732 0.532 19340 5686 1 12 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.271 0.106 19340 5687 1 12 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.997 0.357 19340 5688 1 12 . 1 1 16 16 PRO CB C 16 31.766 31.766 32.054 -0.288 19340 5689 1 12 . 1 1 17 17 GLN N N 17 117.374 117.374 117.441 -0.067 19340 5690 1 12 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.032 0.083 19340 5691 1 12 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.775 0.496 19340 5692 1 12 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.147 0.747 19340 5693 1 12 . 1 1 17 17 GLN H H 17 8.661 8.661 8.835 -0.174 19340 5694 1 12 . 1 1 18 18 ALA N N 18 122.904 122.904 122.328 0.576 19340 5695 1 12 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.318 -0.449 19340 5696 1 12 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.627 0.762 19340 5697 1 12 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.503 0.814 19340 5698 1 12 . 1 1 18 18 ALA H H 18 7.785 7.785 7.602 0.183 19340 5699 1 12 . 1 1 19 19 LYS N N 19 116.947 116.947 119.464 -2.517 19340 5700 1 12 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.042 -0.290 19340 5701 1 12 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.069 1.661 19340 5702 1 12 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.035 -0.436 19340 5703 1 12 . 1 1 19 19 LYS H H 19 7.410 7.410 7.393 0.017 19340 5704 1 12 . 1 1 20 20 ALA N N 20 119.887 119.887 121.918 -2.031 19340 5705 1 12 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.007 0.164 19340 5706 1 12 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.084 -0.075 19340 5707 1 12 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.419 -0.132 19340 5708 1 12 . 1 1 20 20 ALA H H 20 7.362 7.362 7.658 -0.296 19340 5709 1 12 . 1 1 21 21 ARG N N 21 118.182 118.182 118.765 -0.583 19340 5710 1 12 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.019 0.029 19340 5711 1 12 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.159 1.433 19340 5712 1 12 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.287 1.729 19340 5713 1 12 . 1 1 21 21 ARG H H 21 7.502 7.502 7.487 0.015 19340 5714 1 12 . 1 1 22 22 ILE N N 22 122.484 122.484 120.003 2.481 19340 5715 1 12 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.635 -0.090 19340 5716 1 12 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.363 0.647 19340 5717 1 12 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.550 0.454 19340 5718 1 12 . 1 1 22 22 ILE H H 22 9.258 9.258 8.091 1.167 19340 5719 1 12 . 1 1 23 23 ASN N N 23 119.721 119.721 118.556 1.165 19340 5720 1 12 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.328 -0.051 19340 5721 1 12 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.997 0.161 19340 5722 1 12 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.181 0.770 19340 5723 1 12 . 1 1 23 23 ASN H H 23 8.395 8.395 8.047 0.348 19340 5724 1 12 . 1 1 24 24 ASN N N 24 117.554 117.554 117.688 -0.134 19340 5725 1 12 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.482 0.013 19340 5726 1 12 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.555 0.904 19340 5727 1 12 . 1 1 24 24 ASN CB C 24 37.954 37.954 37.799 0.155 19340 5728 1 12 . 1 1 24 24 ASN H H 24 8.002 8.002 7.697 0.305 19340 5729 1 12 . 1 1 25 25 LEU N N 25 123.367 123.367 121.977 1.390 19340 5730 1 12 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.039 0.115 19340 5731 1 12 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.359 -0.442 19340 5732 1 12 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.840 1.093 19340 5733 1 12 . 1 1 25 25 LEU H H 25 8.235 8.235 7.514 0.721 19340 5734 1 12 . 1 1 26 26 ALA N N 26 123.137 123.137 119.965 3.172 19340 5735 1 12 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.073 -0.204 19340 5736 1 12 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.764 0.945 19340 5737 1 12 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.144 -1.194 19340 5738 1 12 . 1 1 26 26 ALA H H 26 9.068 9.068 8.420 0.648 19340 5739 1 12 . 1 1 27 27 SER N N 27 113.809 113.809 113.223 0.586 19340 5740 1 12 . 1 1 27 27 SER HA H 27 4.182 4.182 4.409 -0.227 19340 5741 1 12 . 1 1 27 27 SER CA C 27 62.075 62.075 60.153 1.922 19340 5742 1 12 . 1 1 27 27 SER CB C 27 62.929 62.929 63.963 -1.034 19340 5743 1 12 . 1 1 27 27 SER H H 27 8.004 8.004 7.422 0.582 19340 5744 1 12 . 1 1 28 28 ALA N N 28 124.782 124.782 125.633 -0.851 19340 5745 1 12 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.042 0.162 19340 5746 1 12 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.135 0.125 19340 5747 1 12 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.381 -0.679 19340 5748 1 12 . 1 1 28 28 ALA H H 28 7.970 7.970 7.695 0.275 19340 5749 1 12 . 1 1 29 29 LEU N N 29 117.907 117.907 117.568 0.339 19340 5750 1 12 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.952 -0.128 19340 5751 1 12 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.110 -0.115 19340 5752 1 12 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.416 1.109 19340 5753 1 12 . 1 1 29 29 LEU H H 29 8.960 8.960 8.724 0.236 19340 5754 1 12 . 1 1 30 30 SER N N 30 112.859 112.859 112.585 0.274 19340 5755 1 12 . 1 1 30 30 SER HA H 30 4.076 4.076 4.134 -0.058 19340 5756 1 12 . 1 1 30 30 SER CA C 30 61.998 61.998 60.928 1.069 19340 5757 1 12 . 1 1 30 30 SER CB C 30 63.012 63.012 62.946 0.066 19340 5758 1 12 . 1 1 30 30 SER H H 30 7.951 7.951 7.933 0.018 19340 5759 1 12 . 1 1 31 31 THR N N 31 109.820 109.820 115.951 -6.131 19340 5760 1 12 . 1 1 31 31 THR HA H 31 4.472 4.472 4.265 0.207 19340 5761 1 12 . 1 1 31 31 THR CA C 31 62.731 62.731 64.583 -1.852 19340 5762 1 12 . 1 1 31 31 THR CB C 31 69.362 69.362 69.213 0.149 19340 5763 1 12 . 1 1 31 31 THR H H 31 7.164 7.164 7.485 -0.321 19340 5764 1 12 . 1 1 32 32 ALA N N 32 122.926 122.926 122.941 -0.015 19340 5765 1 12 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.349 0.078 19340 5766 1 12 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.584 -0.499 19340 5767 1 12 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.667 0.959 19340 5768 1 12 . 1 1 32 32 ALA H H 32 7.997 7.997 7.652 0.345 19340 5769 1 12 . 1 1 33 33 VAL N N 33 116.339 116.339 118.135 -1.796 19340 5770 1 12 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.130 0.331 19340 5771 1 12 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.218 -1.617 19340 5772 1 12 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.998 0.631 19340 5773 1 12 . 1 1 33 33 VAL H H 33 7.550 7.550 8.136 -0.586 19340 5774 1 12 . 1 1 34 34 GLY N N 34 113.114 113.114 113.400 -0.286 19340 5775 1 12 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.749 -0.480 19340 5776 1 12 . 1 1 34 34 GLY H H 34 7.886 7.886 8.546 -0.660 19340 5777 1 12 . 1 1 35 35 ARG N N 35 120.709 120.709 120.422 0.287 19340 5778 1 12 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.326 0.057 19340 5779 1 12 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.066 0.834 19340 5780 1 12 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.697 0.175 19340 5781 1 12 . 1 1 35 35 ARG H H 35 8.773 8.773 8.472 0.301 19340 5782 1 12 . 1 1 36 36 ASN N N 36 114.578 114.578 116.728 -2.150 19340 5783 1 12 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.736 0.088 19340 5784 1 12 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.325 0.769 19340 5785 1 12 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.299 0.318 19340 5786 1 12 . 1 1 36 36 ASN H H 36 8.628 8.628 8.006 0.622 19340 5787 1 12 . 1 1 37 37 GLY N N 37 108.462 108.462 108.979 -0.517 19340 5788 1 12 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.949 -1.232 19340 5789 1 12 . 1 1 37 37 GLY H H 37 7.880 7.880 8.133 -0.253 19340 5790 1 12 . 1 1 38 38 VAL N N 38 121.761 121.761 119.569 2.192 19340 5791 1 12 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.253 0.123 19340 5792 1 12 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.712 -0.646 19340 5793 1 12 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.862 -0.091 19340 5794 1 12 . 1 1 38 38 VAL H H 38 8.565 8.565 7.630 0.935 19340 5795 1 12 . 1 1 39 39 ASP N N 39 127.585 127.585 127.614 -0.029 19340 5796 1 12 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.865 -0.214 19340 5797 1 12 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.934 0.911 19340 5798 1 12 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.922 0.507 19340 5799 1 12 . 1 1 39 39 ASP H H 39 9.007 9.007 8.590 0.417 19340 5800 1 12 . 1 1 40 40 VAL N N 40 129.021 129.021 125.269 3.752 19340 5801 1 12 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.721 -0.226 19340 5802 1 12 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.296 2.103 19340 5803 1 12 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.576 0.775 19340 5804 1 12 . 1 1 40 40 VAL H H 40 8.632 8.632 8.376 0.256 19340 5805 1 12 . 1 1 41 41 ASN N N 41 122.301 122.301 118.466 3.835 19340 5806 1 12 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.462 -0.012 19340 5807 1 12 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.778 0.233 19340 5808 1 12 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.362 -0.525 19340 5809 1 12 . 1 1 41 41 ASN H H 41 8.673 8.673 8.380 0.293 19340 5810 1 12 . 1 1 42 42 ALA N N 42 124.313 124.313 121.610 2.703 19340 5811 1 12 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.279 -0.081 19340 5812 1 12 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.230 0.641 19340 5813 1 12 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.837 -0.160 19340 5814 1 12 . 1 1 42 42 ALA H H 42 8.420 8.420 7.725 0.695 19340 5815 1 12 . 1 1 43 43 PHE N N 43 119.198 119.198 119.158 0.040 19340 5816 1 12 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.202 0.281 19340 5817 1 12 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.488 -3.321 19340 5818 1 12 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.358 -0.184 19340 5819 1 12 . 1 1 43 43 PHE H H 43 8.611 8.611 8.587 0.024 19340 5820 1 12 . 1 1 44 44 THR N N 44 116.700 116.700 114.435 2.265 19340 5821 1 12 . 1 1 44 44 THR HA H 44 4.349 4.349 4.130 0.219 19340 5822 1 12 . 1 1 44 44 THR CA C 44 68.443 68.443 66.100 2.344 19340 5823 1 12 . 1 1 44 44 THR CB C 44 68.248 68.248 68.631 -0.383 19340 5824 1 12 . 1 1 44 44 THR H H 44 8.881 8.881 8.850 0.031 19340 5825 1 12 . 1 1 45 45 SER N N 45 116.018 116.018 116.305 -0.287 19340 5826 1 12 . 1 1 45 45 SER HA H 45 4.117 4.117 4.211 -0.094 19340 5827 1 12 . 1 1 45 45 SER CA C 45 62.507 62.507 61.458 1.049 19340 5828 1 12 . 1 1 45 45 SER CB C 45 62.706 62.706 62.358 0.348 19340 5829 1 12 . 1 1 45 45 SER H H 45 8.020 8.020 7.930 0.090 19340 5830 1 12 . 1 1 46 46 GLY N N 46 108.460 108.460 109.671 -1.211 19340 5831 1 12 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.441 0.665 19340 5832 1 12 . 1 1 46 46 GLY H H 46 7.871 7.871 7.488 0.383 19340 5833 1 12 . 1 1 47 47 LEU N N 47 123.148 123.148 122.442 0.706 19340 5834 1 12 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.892 -0.062 19340 5835 1 12 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.490 0.850 19340 5836 1 12 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.449 0.983 19340 5837 1 12 . 1 1 47 47 LEU H H 47 8.221 8.221 7.400 0.821 19340 5838 1 12 . 1 1 48 48 ARG N N 48 118.694 118.694 118.926 -0.232 19340 5839 1 12 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.977 -0.130 19340 5840 1 12 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.813 0.425 19340 5841 1 12 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.785 0.560 19340 5842 1 12 . 1 1 48 48 ARG H H 48 8.646 8.646 8.190 0.456 19340 5843 1 12 . 1 1 49 49 ALA N N 49 122.114 122.114 120.756 1.358 19340 5844 1 12 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.239 -0.080 19340 5845 1 12 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.920 0.288 19340 5846 1 12 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.139 -0.047 19340 5847 1 12 . 1 1 49 49 ALA H H 49 8.078 8.078 7.508 0.570 19340 5848 1 12 . 1 1 50 50 THR N N 50 115.708 115.708 116.885 -1.177 19340 5849 1 12 . 1 1 50 50 THR HA H 50 3.696 3.696 4.010 -0.314 19340 5850 1 12 . 1 1 50 50 THR CA C 50 67.692 67.692 66.869 0.823 19340 5851 1 12 . 1 1 50 50 THR CB C 50 68.599 68.599 68.841 -0.242 19340 5852 1 12 . 1 1 50 50 THR H H 50 7.577 7.577 7.767 -0.190 19340 5853 1 12 . 1 1 51 51 LEU N N 51 121.108 121.108 122.831 -1.723 19340 5854 1 12 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.101 -0.310 19340 5855 1 12 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.740 0.513 19340 5856 1 12 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.855 1.131 19340 5857 1 12 . 1 1 51 51 LEU H H 51 8.014 8.014 8.759 -0.745 19340 5858 1 12 . 1 1 52 52 SER N N 52 115.122 115.122 114.155 0.967 19340 5859 1 12 . 1 1 52 52 SER HA H 52 4.154 4.154 4.094 0.060 19340 5860 1 12 . 1 1 52 52 SER CA C 52 61.765 61.765 61.442 0.323 19340 5861 1 12 . 1 1 52 52 SER CB C 52 62.901 62.901 62.819 0.082 19340 5862 1 12 . 1 1 52 52 SER H H 52 8.442 8.442 7.904 0.538 19340 5863 1 12 . 1 1 53 53 ASN N N 53 119.438 119.438 119.958 -0.520 19340 5864 1 12 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.500 0.140 19340 5865 1 12 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.241 -0.248 19340 5866 1 12 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.803 0.705 19340 5867 1 12 . 1 1 53 53 ASN H H 53 7.705 7.705 7.833 -0.128 19340 5868 1 12 . 1 1 54 54 LEU N N 54 120.042 120.042 120.770 -0.728 19340 5869 1 12 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.213 -0.020 19340 5870 1 12 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.259 -0.144 19340 5871 1 12 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.092 0.897 19340 5872 1 12 . 1 1 54 54 LEU H H 54 7.811 7.811 8.634 -0.823 19340 5873 1 12 . 1 1 55 55 GLY N N 55 109.450 109.450 104.609 4.841 19340 5874 1 12 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.429 1.246 19340 5875 1 12 . 1 1 55 55 GLY H H 55 8.074 8.074 8.031 0.043 19340 5876 1 12 . 1 1 56 56 ASP N N 56 121.016 121.016 118.656 2.360 19340 5877 1 12 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.849 -0.092 19340 5878 1 12 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.410 1.401 19340 5879 1 12 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.373 -0.835 19340 5880 1 12 . 1 1 56 56 ASP H H 56 8.144 8.144 7.485 0.659 19340 5881 1 12 . 1 1 57 57 SER N N 57 113.978 113.978 115.498 -1.520 19340 5882 1 12 . 1 1 57 57 SER HA H 57 4.305 4.305 4.493 -0.188 19340 5883 1 12 . 1 1 57 57 SER CA C 57 60.031 60.031 59.264 0.766 19340 5884 1 12 . 1 1 57 57 SER CB C 57 65.212 65.212 64.427 0.785 19340 5885 1 12 . 1 1 57 57 SER H H 57 7.742 7.742 7.891 -0.149 19340 5886 1 12 . 1 1 58 58 GLY N N 58 110.315 110.315 108.637 1.678 19340 5887 1 12 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.961 0.729 19340 5888 1 12 . 1 1 58 58 GLY H H 58 8.306 8.306 7.907 0.399 19340 5889 1 12 . 1 1 59 59 MET N N 59 120.024 120.024 117.165 2.859 19340 5890 1 12 . 1 1 59 59 MET HA H 59 4.416 4.416 4.731 -0.315 19340 5891 1 12 . 1 1 59 59 MET CA C 59 56.597 56.597 55.042 1.555 19340 5892 1 12 . 1 1 59 59 MET CB C 59 34.328 34.328 33.972 0.356 19340 5893 1 12 . 1 1 59 59 MET H H 59 7.686 7.686 7.261 0.425 19340 5894 1 12 . 1 1 60 60 SER N N 60 122.795 122.795 114.255 8.540 19340 5895 1 12 . 1 1 60 60 SER HA H 60 4.601 4.601 4.797 -0.196 19340 5896 1 12 . 1 1 60 60 SER CA C 60 57.598 57.598 54.697 2.901 19340 5897 1 12 . 1 1 60 60 SER CB C 60 62.511 62.511 65.083 -2.572 19340 5898 1 12 . 1 1 60 60 SER H H 60 9.088 9.088 8.245 0.843 19340 5899 1 12 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.529 -0.314 19340 5900 1 12 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.279 2.343 19340 5901 1 12 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.961 0.000 19340 5902 1 12 . 1 1 62 62 ASN N N 62 113.170 113.170 116.790 -3.620 19340 5903 1 12 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.761 -0.384 19340 5904 1 12 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.349 1.067 19340 5905 1 12 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.831 -1.827 19340 5906 1 12 . 1 1 62 62 ASN H H 62 8.389 8.389 8.455 -0.066 19340 5907 1 12 . 1 1 63 63 GLU N N 63 120.222 120.222 120.637 -0.415 19340 5908 1 12 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.110 -0.358 19340 5909 1 12 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.499 1.169 19340 5910 1 12 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.103 8.734 19340 5911 1 12 . 1 1 63 63 GLU H H 63 7.428 7.428 7.538 -0.110 19340 5912 1 12 . 1 1 64 64 ALA N N 64 120.568 120.568 122.240 -1.672 19340 5913 1 12 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.045 0.031 19340 5914 1 12 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.421 -0.601 19340 5915 1 12 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.518 -0.176 19340 5916 1 12 . 1 1 64 64 ALA H H 64 8.640 8.640 7.855 0.785 19340 5917 1 12 . 1 1 65 65 LYS N N 65 115.104 115.104 116.444 -1.340 19340 5918 1 12 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.018 -0.395 19340 5919 1 12 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.167 1.708 19340 5920 1 12 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.197 0.656 19340 5921 1 12 . 1 1 65 65 LYS H H 65 7.472 7.472 8.255 -0.782 19340 5922 1 12 . 1 1 66 66 VAL N N 66 116.911 116.911 119.279 -2.368 19340 5923 1 12 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.981 -0.430 19340 5924 1 12 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.332 2.972 19340 5925 1 12 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.029 -0.486 19340 5926 1 12 . 1 1 66 66 VAL H H 66 7.045 7.045 7.365 -0.320 19340 5927 1 12 . 1 1 67 67 GLU N N 67 120.755 120.755 119.984 0.771 19340 5928 1 12 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.137 -0.095 19340 5929 1 12 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.903 -1.494 19340 5930 1 12 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.725 3.210 19340 5931 1 12 . 1 1 67 67 GLU H H 67 8.439 8.439 8.590 -0.151 19340 5932 1 12 . 1 1 68 68 VAL N N 68 119.280 119.280 115.875 3.405 19340 5933 1 12 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.812 -0.457 19340 5934 1 12 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.919 1.514 19340 5935 1 12 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.103 -0.451 19340 5936 1 12 . 1 1 68 68 VAL H H 68 8.473 8.473 8.137 0.336 19340 5937 1 12 . 1 1 69 69 LEU N N 69 117.578 117.578 119.579 -2.001 19340 5938 1 12 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.025 -0.067 19340 5939 1 12 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.492 0.865 19340 5940 1 12 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.378 0.720 19340 5941 1 12 . 1 1 69 69 LEU H H 69 7.292 7.292 7.774 -0.482 19340 5942 1 12 . 1 1 70 70 LEU N N 70 118.482 118.482 118.994 -0.512 19340 5943 1 12 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.973 0.008 19340 5944 1 12 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.811 0.563 19340 5945 1 12 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.950 0.231 19340 5946 1 12 . 1 1 70 70 LEU H H 70 8.237 8.237 7.567 0.670 19340 5947 1 12 . 1 1 71 71 GLU N N 71 123.582 123.582 119.749 3.833 19340 5948 1 12 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.937 -0.213 19340 5949 1 12 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.573 1.510 19340 5950 1 12 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.656 7.652 19340 5951 1 12 . 1 1 71 71 GLU H H 71 8.915 8.915 7.864 1.051 19340 5952 1 12 . 1 1 72 72 ALA N N 72 123.321 123.321 121.508 1.813 19340 5953 1 12 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.019 0.045 19340 5954 1 12 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.200 0.500 19340 5955 1 12 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.518 -0.677 19340 5956 1 12 . 1 1 72 72 ALA H H 72 8.994 8.994 8.059 0.935 19340 5957 1 12 . 1 1 73 73 LEU N N 73 118.574 118.574 119.113 -0.539 19340 5958 1 12 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.030 -0.072 19340 5959 1 12 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.620 0.616 19340 5960 1 12 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.959 0.389 19340 5961 1 12 . 1 1 73 73 LEU H H 73 8.544 8.544 7.327 1.217 19340 5962 1 12 . 1 1 74 74 THR N N 74 115.785 115.785 115.787 -0.002 19340 5963 1 12 . 1 1 74 74 THR HA H 74 3.578 3.578 3.856 -0.278 19340 5964 1 12 . 1 1 74 74 THR CA C 74 68.727 68.727 67.344 1.383 19340 5965 1 12 . 1 1 74 74 THR CB C 74 67.691 67.691 68.519 -0.828 19340 5966 1 12 . 1 1 74 74 THR H H 74 8.137 8.137 8.040 0.097 19340 5967 1 12 . 1 1 75 75 ALA N N 75 123.543 123.543 122.913 0.630 19340 5968 1 12 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.032 -0.336 19340 5969 1 12 . 1 1 75 75 ALA CA C 75 55.562 55.562 55.166 0.396 19340 5970 1 12 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.299 1.074 19340 5971 1 12 . 1 1 75 75 ALA H H 75 8.585 8.585 7.624 0.961 19340 5972 1 12 . 1 1 76 76 ALA N N 76 118.729 118.729 120.683 -1.954 19340 5973 1 12 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.056 -0.282 19340 5974 1 12 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.435 1.006 19340 5975 1 12 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.636 -0.487 19340 5976 1 12 . 1 1 76 76 ALA H H 76 8.199 8.199 7.235 0.964 19340 5977 1 12 . 1 1 77 77 LEU N N 77 117.321 117.321 119.253 -1.932 19340 5978 1 12 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.843 0.032 19340 5979 1 12 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.768 0.434 19340 5980 1 12 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.759 -1.137 19340 5981 1 12 . 1 1 77 77 LEU H H 77 8.265 8.265 8.769 -0.504 19340 5982 1 12 . 1 1 78 78 GLN N N 78 121.687 121.687 117.972 3.715 19340 5983 1 12 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.023 -0.210 19340 5984 1 12 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.279 0.354 19340 5985 1 12 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.038 4.401 19340 5986 1 12 . 1 1 78 78 GLN H H 78 8.776 8.776 8.035 0.741 19340 5987 1 12 . 1 1 79 79 LEU N N 79 120.042 120.042 120.216 -0.174 19340 5988 1 12 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.192 -0.184 19340 5989 1 12 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.305 0.431 19340 5990 1 12 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.155 0.388 19340 5991 1 12 . 1 1 79 79 LEU H H 79 7.990 7.990 7.329 0.661 19340 5992 1 12 . 1 1 80 80 LEU N N 80 122.157 122.157 120.066 2.091 19340 5993 1 12 . 1 1 80 80 LEU HA H 80 3.824 3.824 3.990 -0.166 19340 5994 1 12 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.305 0.784 19340 5995 1 12 . 1 1 80 80 LEU CB C 80 42.404 42.404 40.104 2.300 19340 5996 1 12 . 1 1 80 80 LEU H H 80 8.454 8.454 8.400 0.054 19340 5997 1 12 . 1 1 81 81 SER N N 81 114.179 114.179 113.789 0.390 19340 5998 1 12 . 1 1 81 81 SER HA H 81 3.897 3.897 4.240 -0.343 19340 5999 1 12 . 1 1 81 81 SER CA C 81 61.756 61.756 60.305 1.451 19340 6000 1 12 . 1 1 81 81 SER CB C 81 63.486 63.486 63.169 0.317 19340 6001 1 12 . 1 1 81 81 SER H H 81 8.006 8.006 7.883 0.123 19340 6002 1 12 . 1 1 82 82 SER N N 82 113.392 113.392 114.779 -1.387 19340 6003 1 12 . 1 1 82 82 SER HA H 82 4.718 4.718 4.707 0.011 19340 6004 1 12 . 1 1 82 82 SER CA C 82 57.718 57.718 58.148 -0.430 19340 6005 1 12 . 1 1 82 82 SER CB C 82 64.377 64.377 64.281 0.096 19340 6006 1 12 . 1 1 82 82 SER H H 82 7.160 7.160 7.854 -0.694 19340 6007 1 12 . 1 1 83 83 SER N N 83 117.607 117.607 118.442 -0.835 19340 6008 1 12 . 1 1 83 83 SER HA H 83 4.885 4.885 4.575 0.310 19340 6009 1 12 . 1 1 83 83 SER CA C 83 59.263 59.263 58.214 1.049 19340 6010 1 12 . 1 1 83 83 SER CB C 83 65.352 65.352 65.108 0.244 19340 6011 1 12 . 1 1 83 83 SER H H 83 7.369 7.369 7.812 -0.443 19340 6012 1 12 . 1 1 84 84 THR N N 84 117.656 117.656 114.684 2.972 19340 6013 1 12 . 1 1 84 84 THR HA H 84 4.545 4.545 4.484 0.061 19340 6014 1 12 . 1 1 84 84 THR CA C 84 62.006 62.006 62.554 -0.548 19340 6015 1 12 . 1 1 84 84 THR CB C 84 69.724 69.724 69.183 0.541 19340 6016 1 12 . 1 1 84 84 THR H H 84 8.488 8.488 8.210 0.278 19340 6017 1 12 . 1 1 85 85 LEU N N 85 130.429 130.429 119.161 11.268 19340 6018 1 12 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.098 0.190 19340 6019 1 12 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.339 0.956 19340 6020 1 12 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.264 2.126 19340 6021 1 12 . 1 1 85 85 LEU H H 85 8.878 8.878 7.720 1.158 19340 6022 1 12 . 1 1 86 86 GLY N N 86 112.150 112.150 107.311 4.839 19340 6023 1 12 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.516 -1.714 19340 6024 1 12 . 1 1 86 86 GLY H H 86 7.901 7.901 8.853 -0.952 19340 6025 1 12 . 1 1 87 87 ALA N N 87 122.559 122.559 122.918 -0.359 19340 6026 1 12 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.411 -0.127 19340 6027 1 12 . 1 1 87 87 ALA CA C 87 51.955 51.955 51.945 0.010 19340 6028 1 12 . 1 1 87 87 ALA CB C 87 19.345 19.345 20.531 -1.186 19340 6029 1 12 . 1 1 87 87 ALA H H 87 8.113 8.113 7.642 0.471 19340 6030 1 12 . 1 1 88 88 VAL N N 88 122.375 122.375 122.595 -0.220 19340 6031 1 12 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.373 -0.566 19340 6032 1 12 . 1 1 88 88 VAL CA C 88 62.964 62.964 61.804 1.160 19340 6033 1 12 . 1 1 88 88 VAL CB C 88 32.629 32.629 33.005 -0.376 19340 6034 1 12 . 1 1 88 88 VAL H H 88 8.447 8.447 8.414 0.033 19340 6035 1 12 . 1 1 89 89 ASP N N 89 127.408 127.408 130.867 -3.459 19340 6036 1 12 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.681 0.177 19340 6037 1 12 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.725 -2.123 19340 6038 1 12 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.395 0.422 19340 6039 1 12 . 1 1 89 89 ASP H H 89 8.570 8.570 8.986 -0.416 19340 6040 1 12 . 1 1 90 90 THR N N 90 116.481 116.481 113.859 2.622 19340 6041 1 12 . 1 1 90 90 THR HA H 90 3.953 3.953 4.164 -0.211 19340 6042 1 12 . 1 1 90 90 THR CA C 90 63.879 63.879 64.570 -0.691 19340 6043 1 12 . 1 1 90 90 THR CB C 90 68.833 68.833 68.976 -0.143 19340 6044 1 12 . 1 1 90 90 THR H H 90 8.539 8.539 8.403 0.136 19340 6045 1 12 . 1 1 91 91 THR N N 91 114.681 114.681 116.967 -2.286 19340 6046 1 12 . 1 1 91 91 THR HA H 91 4.182 4.182 4.332 -0.150 19340 6047 1 12 . 1 1 91 91 THR CA C 91 64.750 64.750 64.144 0.606 19340 6048 1 12 . 1 1 91 91 THR CB C 91 69.055 69.055 68.561 0.494 19340 6049 1 12 . 1 1 91 91 THR H H 91 8.335 8.335 8.282 0.053 19340 6050 1 12 . 1 1 92 92 SER N N 92 114.236 114.236 116.049 -1.813 19340 6051 1 12 . 1 1 92 92 SER HA H 92 4.668 4.668 4.724 -0.056 19340 6052 1 12 . 1 1 92 92 SER CA C 92 58.460 58.460 58.660 -0.200 19340 6053 1 12 . 1 1 92 92 SER CB C 92 64.433 64.433 64.031 0.402 19340 6054 1 12 . 1 1 92 92 SER H H 92 7.642 7.642 7.805 -0.163 19340 6055 1 12 . 1 1 93 93 ILE N N 93 122.128 122.128 122.770 -0.642 19340 6056 1 12 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.775 0.038 19340 6057 1 12 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.354 -0.224 19340 6058 1 12 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.191 1.008 19340 6059 1 12 . 1 1 93 93 ILE H H 93 7.276 7.276 7.196 0.080 19340 6060 1 12 . 1 1 94 94 GLY N N 94 108.426 108.426 107.041 1.385 19340 6061 1 12 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.091 -0.092 19340 6062 1 12 . 1 1 94 94 GLY H H 94 8.756 8.756 8.706 0.050 19340 6063 1 12 . 1 1 95 95 LEU N N 95 123.674 123.674 122.631 1.043 19340 6064 1 12 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.107 0.175 19340 6065 1 12 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.684 0.345 19340 6066 1 12 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.606 -0.344 19340 6067 1 12 . 1 1 95 95 LEU H H 95 7.568 7.568 7.526 0.042 19340 6068 1 12 . 1 1 96 96 THR N N 96 119.717 119.717 116.048 3.669 19340 6069 1 12 . 1 1 96 96 THR HA H 96 3.837 3.837 3.844 -0.007 19340 6070 1 12 . 1 1 96 96 THR CA C 96 66.683 66.683 67.418 -0.736 19340 6071 1 12 . 1 1 96 96 THR CB C 96 67.969 67.969 68.536 -0.567 19340 6072 1 12 . 1 1 96 96 THR H H 96 8.430 8.430 8.435 -0.005 19340 6073 1 12 . 1 1 97 97 SER N N 97 117.285 117.285 116.593 0.692 19340 6074 1 12 . 1 1 97 97 SER HA H 97 4.094 4.094 4.112 -0.018 19340 6075 1 12 . 1 1 97 97 SER CA C 97 62.507 62.507 61.934 0.573 19340 6076 1 12 . 1 1 97 97 SER CB C 97 62.845 62.845 63.083 -0.238 19340 6077 1 12 . 1 1 97 97 SER H H 97 9.000 9.000 8.682 0.318 19340 6078 1 12 . 1 1 98 98 ASN N N 98 121.846 121.846 119.761 2.085 19340 6079 1 12 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.578 -0.190 19340 6080 1 12 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.670 1.212 19340 6081 1 12 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.483 0.351 19340 6082 1 12 . 1 1 98 98 ASN H H 98 7.939 7.939 7.733 0.206 19340 6083 1 12 . 1 1 99 99 SER N N 99 117.585 117.585 116.687 0.898 19340 6084 1 12 . 1 1 99 99 SER HA H 99 4.204 4.204 4.208 -0.004 19340 6085 1 12 . 1 1 99 99 SER CA C 99 62.886 62.886 62.118 0.768 19340 6086 1 12 . 1 1 99 99 SER CB C 99 62.984 62.984 62.953 0.031 19340 6087 1 12 . 1 1 99 99 SER H H 99 8.370 8.370 7.971 0.399 19340 6088 1 12 . 1 1 100 100 VAL N N 100 121.524 121.524 118.968 2.556 19340 6089 1 12 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.206 0.345 19340 6090 1 12 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.217 1.734 19340 6091 1 12 . 1 1 100 100 VAL CB C 100 31.654 31.654 30.235 1.419 19340 6092 1 12 . 1 1 100 100 VAL H H 100 8.565 8.565 8.146 0.419 19340 6093 1 12 . 1 1 101 101 SER N N 101 113.005 113.005 116.409 -3.404 19340 6094 1 12 . 1 1 101 101 SER HA H 101 3.875 3.875 4.111 -0.236 19340 6095 1 12 . 1 1 101 101 SER CA C 101 62.326 62.326 62.095 0.231 19340 6096 1 12 . 1 1 101 101 SER CB C 101 63.263 63.263 62.805 0.458 19340 6097 1 12 . 1 1 101 101 SER H H 101 8.272 8.272 7.721 0.551 19340 6098 1 12 . 1 1 102 102 LYS N N 102 119.357 119.357 121.312 -1.955 19340 6099 1 12 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.118 -0.098 19340 6100 1 12 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.022 0.577 19340 6101 1 12 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.405 0.738 19340 6102 1 12 . 1 1 102 102 LYS H H 102 7.953 7.953 7.653 0.300 19340 6103 1 12 . 1 1 103 103 ALA N N 103 120.882 120.882 122.974 -2.092 19340 6104 1 12 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.138 0.105 19340 6105 1 12 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.075 -0.488 19340 6106 1 12 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.577 2.049 19340 6107 1 12 . 1 1 103 103 ALA H H 103 8.049 8.049 8.238 -0.189 19340 6108 1 12 . 1 1 104 104 VAL N N 104 116.191 116.191 118.863 -2.672 19340 6109 1 12 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.637 -0.388 19340 6110 1 12 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.983 0.131 19340 6111 1 12 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.920 -0.906 19340 6112 1 12 . 1 1 104 104 VAL H H 104 8.572 8.572 8.406 0.166 19340 6113 1 12 . 1 1 105 105 ALA N N 105 121.884 121.884 120.566 1.318 19340 6114 1 12 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.266 -0.375 19340 6115 1 12 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.439 0.864 19340 6116 1 12 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.376 0.106 19340 6117 1 12 . 1 1 105 105 ALA H H 105 8.347 8.347 7.789 0.558 19340 6118 1 12 . 1 1 106 106 GLN N N 106 113.657 113.657 118.512 -4.855 19340 6119 1 12 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.164 -0.133 19340 6120 1 12 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.291 0.057 19340 6121 1 12 . 1 1 106 106 GLN CB C 106 35.247 35.247 28.971 6.276 19340 6122 1 12 . 1 1 106 106 GLN H H 106 7.838 7.838 7.926 -0.088 19340 6123 1 12 . 1 1 107 107 ALA N N 107 117.818 117.818 120.821 -3.003 19340 6124 1 12 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.409 -0.155 19340 6125 1 12 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.831 0.324 19340 6126 1 12 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.149 3.009 19340 6127 1 12 . 1 1 107 107 ALA H H 107 8.145 8.145 7.780 0.365 19340 6128 1 12 . 1 1 108 108 LEU N N 108 113.428 113.428 118.692 -5.264 19340 6129 1 12 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.246 0.176 19340 6130 1 12 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.945 -1.540 19340 6131 1 12 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.398 0.257 19340 6132 1 12 . 1 1 108 108 LEU H H 108 8.341 8.341 8.083 0.258 19340 6133 1 13 . 1 1 2 2 SER N N 2 117.112 117.112 116.307 0.805 19340 6134 1 13 . 1 1 2 2 SER HA H 2 4.500 4.500 4.231 0.269 19340 6135 1 13 . 1 1 2 2 SER CA C 2 58.547 58.547 58.050 0.498 19340 6136 1 13 . 1 1 2 2 SER CB C 2 63.820 63.820 64.309 -0.489 19340 6137 1 13 . 1 1 2 2 SER H H 2 8.748 8.748 8.071 0.677 19340 6138 1 13 . 1 1 3 3 PHE N N 3 123.783 123.783 123.232 0.551 19340 6139 1 13 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.487 -0.266 19340 6140 1 13 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.081 2.010 19340 6141 1 13 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.914 -0.047 19340 6142 1 13 . 1 1 3 3 PHE H H 3 8.398 8.398 8.838 -0.440 19340 6143 1 13 . 1 1 4 4 GLY N N 4 106.435 106.435 107.711 -1.276 19340 6144 1 13 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.614 0.605 19340 6145 1 13 . 1 1 4 4 GLY H H 4 8.699 8.699 8.381 0.318 19340 6146 1 13 . 1 1 5 5 LEU N N 5 121.041 121.041 119.981 1.060 19340 6147 1 13 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.272 -0.141 19340 6148 1 13 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.350 0.256 19340 6149 1 13 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.681 0.110 19340 6150 1 13 . 1 1 5 5 LEU H H 5 7.590 7.590 7.382 0.208 19340 6151 1 13 . 1 1 6 6 VAL N N 6 118.980 118.980 115.014 3.966 19340 6152 1 13 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.898 -0.197 19340 6153 1 13 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.744 0.024 19340 6154 1 13 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.870 0.453 19340 6155 1 13 . 1 1 6 6 VAL H H 6 7.630 7.630 7.538 0.092 19340 6156 1 13 . 1 1 7 7 LEU N N 7 120.127 120.127 117.474 2.653 19340 6157 1 13 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.181 0.079 19340 6158 1 13 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.618 0.452 19340 6159 1 13 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.502 0.289 19340 6160 1 13 . 1 1 7 7 LEU H H 7 8.171 8.171 7.483 0.688 19340 6161 1 13 . 1 1 8 8 ASN N N 8 114.592 114.592 114.856 -0.264 19340 6162 1 13 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.790 0.034 19340 6163 1 13 . 1 1 8 8 ASN CA C 8 52.723 52.723 52.626 0.097 19340 6164 1 13 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.471 -0.130 19340 6165 1 13 . 1 1 8 8 ASN H H 8 7.602 7.602 7.552 0.050 19340 6166 1 13 . 1 1 9 9 SER N N 9 116.029 116.029 116.675 -0.646 19340 6167 1 13 . 1 1 9 9 SER HA H 9 4.690 4.690 4.490 0.200 19340 6168 1 13 . 1 1 9 9 SER CA C 9 56.675 56.675 57.788 -1.113 19340 6169 1 13 . 1 1 9 9 SER CB C 9 64.210 64.210 63.606 0.604 19340 6170 1 13 . 1 1 9 9 SER H H 9 7.186 7.186 7.662 -0.476 19340 6171 1 13 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.417 0.022 19340 6172 1 13 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.328 0.379 19340 6173 1 13 . 1 1 10 10 PRO CB C 10 32.044 32.044 31.976 0.068 19340 6174 1 13 . 1 1 11 11 ASN N N 11 114.702 114.702 114.771 -0.069 19340 6175 1 13 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.859 0.200 19340 6176 1 13 . 1 1 11 11 ASN CA C 11 52.766 52.766 52.658 0.108 19340 6177 1 13 . 1 1 11 11 ASN CB C 11 40.287 40.287 39.512 0.775 19340 6178 1 13 . 1 1 11 11 ASN H H 11 8.150 8.150 7.992 0.158 19340 6179 1 13 . 1 1 12 12 GLY N N 12 122.938 122.938 109.825 13.113 19340 6180 1 13 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.724 -1.603 19340 6181 1 13 . 1 1 12 12 GLY H H 12 7.324 7.324 7.612 -0.288 19340 6182 1 13 . 1 1 13 13 LEU N N 13 124.662 124.662 120.678 3.984 19340 6183 1 13 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.417 -0.688 19340 6184 1 13 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.565 2.455 19340 6185 1 13 . 1 1 13 13 LEU CB C 13 43.685 43.685 41.811 1.874 19340 6186 1 13 . 1 1 13 13 LEU H H 13 9.253 9.253 8.445 0.808 19340 6187 1 13 . 1 1 14 14 ARG N N 14 113.071 113.071 118.470 -5.399 19340 6188 1 13 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.196 0.092 19340 6189 1 13 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.070 -0.680 19340 6190 1 13 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.236 -0.197 19340 6191 1 13 . 1 1 14 14 ARG H H 14 8.168 8.168 8.091 0.077 19340 6192 1 13 . 1 1 15 15 SER N N 15 118.055 118.055 113.449 4.606 19340 6193 1 13 . 1 1 15 15 SER HA H 15 4.690 4.690 4.724 -0.034 19340 6194 1 13 . 1 1 15 15 SER CA C 15 57.520 57.520 57.530 -0.010 19340 6195 1 13 . 1 1 15 15 SER CB C 15 65.463 65.463 64.390 1.073 19340 6196 1 13 . 1 1 15 15 SER H H 15 8.264 8.264 7.662 0.602 19340 6197 1 13 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.273 0.104 19340 6198 1 13 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.133 0.221 19340 6199 1 13 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.918 -0.151 19340 6200 1 13 . 1 1 17 17 GLN N N 17 117.374 117.374 118.413 -1.039 19340 6201 1 13 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.075 0.040 19340 6202 1 13 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.610 0.661 19340 6203 1 13 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.130 0.764 19340 6204 1 13 . 1 1 17 17 GLN H H 17 8.661 8.661 8.734 -0.073 19340 6205 1 13 . 1 1 18 18 ALA N N 18 122.904 122.904 122.535 0.369 19340 6206 1 13 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.059 -0.190 19340 6207 1 13 . 1 1 18 18 ALA CA C 18 55.389 55.389 55.197 0.192 19340 6208 1 13 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.189 1.129 19340 6209 1 13 . 1 1 18 18 ALA H H 18 7.785 7.785 8.300 -0.515 19340 6210 1 13 . 1 1 19 19 LYS N N 19 116.947 116.947 119.421 -2.474 19340 6211 1 13 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.057 -0.305 19340 6212 1 13 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.018 1.712 19340 6213 1 13 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.088 -0.489 19340 6214 1 13 . 1 1 19 19 LYS H H 19 7.410 7.410 7.393 0.017 19340 6215 1 13 . 1 1 20 20 ALA N N 20 119.887 119.887 121.956 -2.069 19340 6216 1 13 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.000 0.171 19340 6217 1 13 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.094 -0.085 19340 6218 1 13 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.456 -0.169 19340 6219 1 13 . 1 1 20 20 ALA H H 20 7.362 7.362 7.742 -0.380 19340 6220 1 13 . 1 1 21 21 ARG N N 21 118.182 118.182 118.660 -0.478 19340 6221 1 13 . 1 1 21 21 ARG HA H 21 4.048 4.048 3.996 0.052 19340 6222 1 13 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.240 1.352 19340 6223 1 13 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.241 1.775 19340 6224 1 13 . 1 1 21 21 ARG H H 21 7.502 7.502 7.540 -0.038 19340 6225 1 13 . 1 1 22 22 ILE N N 22 122.484 122.484 119.861 2.623 19340 6226 1 13 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.690 -0.145 19340 6227 1 13 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.121 0.889 19340 6228 1 13 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.512 0.492 19340 6229 1 13 . 1 1 22 22 ILE H H 22 9.258 9.258 7.997 1.261 19340 6230 1 13 . 1 1 23 23 ASN N N 23 119.721 119.721 119.024 0.697 19340 6231 1 13 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.332 -0.055 19340 6232 1 13 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.721 0.438 19340 6233 1 13 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.389 0.562 19340 6234 1 13 . 1 1 23 23 ASN H H 23 8.395 8.395 7.930 0.465 19340 6235 1 13 . 1 1 24 24 ASN N N 24 117.554 117.554 118.367 -0.813 19340 6236 1 13 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.476 0.019 19340 6237 1 13 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.736 0.723 19340 6238 1 13 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.181 -0.227 19340 6239 1 13 . 1 1 24 24 ASN H H 24 8.002 8.002 7.659 0.343 19340 6240 1 13 . 1 1 25 25 LEU N N 25 123.367 123.367 121.969 1.398 19340 6241 1 13 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.042 0.112 19340 6242 1 13 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.324 -0.407 19340 6243 1 13 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.819 1.113 19340 6244 1 13 . 1 1 25 25 LEU H H 25 8.235 8.235 7.631 0.604 19340 6245 1 13 . 1 1 26 26 ALA N N 26 123.137 123.137 119.959 3.178 19340 6246 1 13 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.072 -0.203 19340 6247 1 13 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.767 0.941 19340 6248 1 13 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.159 -1.208 19340 6249 1 13 . 1 1 26 26 ALA H H 26 9.068 9.068 8.379 0.689 19340 6250 1 13 . 1 1 27 27 SER N N 27 113.809 113.809 113.141 0.668 19340 6251 1 13 . 1 1 27 27 SER HA H 27 4.182 4.182 4.451 -0.269 19340 6252 1 13 . 1 1 27 27 SER CA C 27 62.075 62.075 60.080 1.995 19340 6253 1 13 . 1 1 27 27 SER CB C 27 62.929 62.929 64.062 -1.133 19340 6254 1 13 . 1 1 27 27 SER H H 27 8.004 8.004 7.406 0.598 19340 6255 1 13 . 1 1 28 28 ALA N N 28 124.782 124.782 125.634 -0.852 19340 6256 1 13 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.041 0.163 19340 6257 1 13 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.193 0.067 19340 6258 1 13 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.378 -0.676 19340 6259 1 13 . 1 1 28 28 ALA H H 28 7.970 7.970 7.818 0.152 19340 6260 1 13 . 1 1 29 29 LEU N N 29 117.907 117.907 117.561 0.346 19340 6261 1 13 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.965 -0.141 19340 6262 1 13 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.100 -0.105 19340 6263 1 13 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.438 1.088 19340 6264 1 13 . 1 1 29 29 LEU H H 29 8.960 8.960 8.700 0.260 19340 6265 1 13 . 1 1 30 30 SER N N 30 112.859 112.859 112.300 0.559 19340 6266 1 13 . 1 1 30 30 SER HA H 30 4.076 4.076 4.140 -0.064 19340 6267 1 13 . 1 1 30 30 SER CA C 30 61.998 61.998 60.916 1.082 19340 6268 1 13 . 1 1 30 30 SER CB C 30 63.012 63.012 62.931 0.081 19340 6269 1 13 . 1 1 30 30 SER H H 30 7.951 7.951 7.952 -0.001 19340 6270 1 13 . 1 1 31 31 THR N N 31 109.820 109.820 115.956 -6.136 19340 6271 1 13 . 1 1 31 31 THR HA H 31 4.472 4.472 4.282 0.190 19340 6272 1 13 . 1 1 31 31 THR CA C 31 62.731 62.731 64.500 -1.769 19340 6273 1 13 . 1 1 31 31 THR CB C 31 69.362 69.362 69.236 0.126 19340 6274 1 13 . 1 1 31 31 THR H H 31 7.164 7.164 7.495 -0.331 19340 6275 1 13 . 1 1 32 32 ALA N N 32 122.926 122.926 122.973 -0.047 19340 6276 1 13 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.336 0.091 19340 6277 1 13 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.626 -0.541 19340 6278 1 13 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.650 0.976 19340 6279 1 13 . 1 1 32 32 ALA H H 32 7.997 7.997 7.731 0.266 19340 6280 1 13 . 1 1 33 33 VAL N N 33 116.339 116.339 118.033 -1.694 19340 6281 1 13 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.143 0.318 19340 6282 1 13 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.101 -1.500 19340 6283 1 13 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.944 0.685 19340 6284 1 13 . 1 1 33 33 VAL H H 33 7.550 7.550 8.078 -0.528 19340 6285 1 13 . 1 1 34 34 GLY N N 34 113.114 113.114 113.656 -0.542 19340 6286 1 13 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.775 -0.506 19340 6287 1 13 . 1 1 34 34 GLY H H 34 7.886 7.886 8.552 -0.666 19340 6288 1 13 . 1 1 35 35 ARG N N 35 120.709 120.709 120.511 0.198 19340 6289 1 13 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.328 0.055 19340 6290 1 13 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.893 1.007 19340 6291 1 13 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.835 0.037 19340 6292 1 13 . 1 1 35 35 ARG H H 35 8.773 8.773 8.570 0.203 19340 6293 1 13 . 1 1 36 36 ASN N N 36 114.578 114.578 116.756 -2.178 19340 6294 1 13 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.733 0.091 19340 6295 1 13 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.328 0.766 19340 6296 1 13 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.297 0.320 19340 6297 1 13 . 1 1 36 36 ASN H H 36 8.628 8.628 8.011 0.617 19340 6298 1 13 . 1 1 37 37 GLY N N 37 108.462 108.462 109.951 -1.489 19340 6299 1 13 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.830 -1.113 19340 6300 1 13 . 1 1 37 37 GLY H H 37 7.880 7.880 8.022 -0.142 19340 6301 1 13 . 1 1 38 38 VAL N N 38 121.761 121.761 120.108 1.653 19340 6302 1 13 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.249 0.128 19340 6303 1 13 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.388 -0.322 19340 6304 1 13 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.930 -0.159 19340 6305 1 13 . 1 1 38 38 VAL H H 38 8.565 8.565 7.763 0.802 19340 6306 1 13 . 1 1 39 39 ASP N N 39 127.585 127.585 127.939 -0.354 19340 6307 1 13 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.876 -0.225 19340 6308 1 13 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.930 0.915 19340 6309 1 13 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.625 0.804 19340 6310 1 13 . 1 1 39 39 ASP H H 39 9.007 9.007 8.565 0.442 19340 6311 1 13 . 1 1 40 40 VAL N N 40 129.021 129.021 126.652 2.369 19340 6312 1 13 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.691 -0.196 19340 6313 1 13 . 1 1 40 40 VAL CA C 40 67.399 67.399 64.923 2.476 19340 6314 1 13 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.437 0.914 19340 6315 1 13 . 1 1 40 40 VAL H H 40 8.632 8.632 8.642 -0.010 19340 6316 1 13 . 1 1 41 41 ASN N N 41 122.301 122.301 118.394 3.907 19340 6317 1 13 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.351 0.099 19340 6318 1 13 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.801 0.210 19340 6319 1 13 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.490 -0.653 19340 6320 1 13 . 1 1 41 41 ASN H H 41 8.673 8.673 7.985 0.688 19340 6321 1 13 . 1 1 42 42 ALA N N 42 124.313 124.313 122.082 2.231 19340 6322 1 13 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.218 -0.020 19340 6323 1 13 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.504 0.367 19340 6324 1 13 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.616 0.061 19340 6325 1 13 . 1 1 42 42 ALA H H 42 8.420 8.420 7.653 0.767 19340 6326 1 13 . 1 1 43 43 PHE N N 43 119.198 119.198 119.473 -0.275 19340 6327 1 13 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.138 0.345 19340 6328 1 13 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.595 -3.428 19340 6329 1 13 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.142 0.031 19340 6330 1 13 . 1 1 43 43 PHE H H 43 8.611 8.611 8.740 -0.129 19340 6331 1 13 . 1 1 44 44 THR N N 44 116.700 116.700 114.333 2.367 19340 6332 1 13 . 1 1 44 44 THR HA H 44 4.349 4.349 4.075 0.274 19340 6333 1 13 . 1 1 44 44 THR CA C 44 68.443 68.443 65.978 2.465 19340 6334 1 13 . 1 1 44 44 THR CB C 44 68.248 68.248 68.538 -0.290 19340 6335 1 13 . 1 1 44 44 THR H H 44 8.881 8.881 8.914 -0.033 19340 6336 1 13 . 1 1 45 45 SER N N 45 116.018 116.018 116.240 -0.222 19340 6337 1 13 . 1 1 45 45 SER HA H 45 4.117 4.117 4.211 -0.094 19340 6338 1 13 . 1 1 45 45 SER CA C 45 62.507 62.507 62.228 0.279 19340 6339 1 13 . 1 1 45 45 SER CB C 45 62.706 62.706 63.004 -0.298 19340 6340 1 13 . 1 1 45 45 SER H H 45 8.020 8.020 7.762 0.258 19340 6341 1 13 . 1 1 46 46 GLY N N 46 108.460 108.460 109.097 -0.637 19340 6342 1 13 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.616 0.490 19340 6343 1 13 . 1 1 46 46 GLY H H 46 7.871 7.871 7.460 0.411 19340 6344 1 13 . 1 1 47 47 LEU N N 47 123.148 123.148 123.014 0.134 19340 6345 1 13 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.976 -0.146 19340 6346 1 13 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.216 1.124 19340 6347 1 13 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.416 1.016 19340 6348 1 13 . 1 1 47 47 LEU H H 47 8.221 8.221 7.440 0.781 19340 6349 1 13 . 1 1 48 48 ARG N N 48 118.694 118.694 119.188 -0.494 19340 6350 1 13 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.970 -0.123 19340 6351 1 13 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.985 0.253 19340 6352 1 13 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.730 0.615 19340 6353 1 13 . 1 1 48 48 ARG H H 48 8.646 8.646 8.173 0.473 19340 6354 1 13 . 1 1 49 49 ALA N N 49 122.114 122.114 120.109 2.005 19340 6355 1 13 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.265 -0.106 19340 6356 1 13 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.832 0.376 19340 6357 1 13 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.183 -0.091 19340 6358 1 13 . 1 1 49 49 ALA H H 49 8.078 8.078 7.588 0.490 19340 6359 1 13 . 1 1 50 50 THR N N 50 115.708 115.708 117.137 -1.429 19340 6360 1 13 . 1 1 50 50 THR HA H 50 3.696 3.696 3.950 -0.254 19340 6361 1 13 . 1 1 50 50 THR CA C 50 67.692 67.692 67.729 -0.037 19340 6362 1 13 . 1 1 50 50 THR CB C 50 68.599 68.599 68.806 -0.207 19340 6363 1 13 . 1 1 50 50 THR H H 50 7.577 7.577 7.779 -0.202 19340 6364 1 13 . 1 1 51 51 LEU N N 51 121.108 121.108 122.687 -1.579 19340 6365 1 13 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.062 -0.271 19340 6366 1 13 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.827 0.426 19340 6367 1 13 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.976 1.010 19340 6368 1 13 . 1 1 51 51 LEU H H 51 8.014 8.014 8.697 -0.683 19340 6369 1 13 . 1 1 52 52 SER N N 52 115.122 115.122 114.007 1.115 19340 6370 1 13 . 1 1 52 52 SER HA H 52 4.154 4.154 4.096 0.058 19340 6371 1 13 . 1 1 52 52 SER CA C 52 61.765 61.765 61.458 0.307 19340 6372 1 13 . 1 1 52 52 SER CB C 52 62.901 62.901 62.910 -0.009 19340 6373 1 13 . 1 1 52 52 SER H H 52 8.442 8.442 7.912 0.530 19340 6374 1 13 . 1 1 53 53 ASN N N 53 119.438 119.438 119.087 0.351 19340 6375 1 13 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.547 0.093 19340 6376 1 13 . 1 1 53 53 ASN CA C 53 55.993 55.993 55.771 0.222 19340 6377 1 13 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.684 0.824 19340 6378 1 13 . 1 1 53 53 ASN H H 53 7.705 7.705 7.851 -0.146 19340 6379 1 13 . 1 1 54 54 LEU N N 54 120.042 120.042 120.529 -0.487 19340 6380 1 13 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.178 0.015 19340 6381 1 13 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.538 -0.423 19340 6382 1 13 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.864 1.125 19340 6383 1 13 . 1 1 54 54 LEU H H 54 7.811 7.811 8.682 -0.871 19340 6384 1 13 . 1 1 55 55 GLY N N 55 109.450 109.450 104.351 5.099 19340 6385 1 13 . 1 1 55 55 GLY CA C 55 47.676 47.676 45.970 1.706 19340 6386 1 13 . 1 1 55 55 GLY H H 55 8.074 8.074 7.901 0.173 19340 6387 1 13 . 1 1 56 56 ASP N N 56 121.016 121.016 119.050 1.966 19340 6388 1 13 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.737 0.020 19340 6389 1 13 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.026 1.785 19340 6390 1 13 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.765 -1.227 19340 6391 1 13 . 1 1 56 56 ASP H H 56 8.144 8.144 7.549 0.595 19340 6392 1 13 . 1 1 57 57 SER N N 57 113.978 113.978 114.908 -0.930 19340 6393 1 13 . 1 1 57 57 SER HA H 57 4.305 4.305 4.398 -0.093 19340 6394 1 13 . 1 1 57 57 SER CA C 57 60.031 60.031 60.165 -0.134 19340 6395 1 13 . 1 1 57 57 SER CB C 57 65.212 65.212 64.276 0.936 19340 6396 1 13 . 1 1 57 57 SER H H 57 7.742 7.742 7.697 0.045 19340 6397 1 13 . 1 1 58 58 GLY N N 58 110.315 110.315 108.958 1.357 19340 6398 1 13 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.834 0.856 19340 6399 1 13 . 1 1 58 58 GLY H H 58 8.306 8.306 7.954 0.352 19340 6400 1 13 . 1 1 59 59 MET N N 59 120.024 120.024 117.223 2.801 19340 6401 1 13 . 1 1 59 59 MET HA H 59 4.416 4.416 4.748 -0.332 19340 6402 1 13 . 1 1 59 59 MET CA C 59 56.597 56.597 55.298 1.299 19340 6403 1 13 . 1 1 59 59 MET CB C 59 34.328 34.328 34.065 0.263 19340 6404 1 13 . 1 1 59 59 MET H H 59 7.686 7.686 7.309 0.377 19340 6405 1 13 . 1 1 60 60 SER N N 60 122.795 122.795 114.008 8.787 19340 6406 1 13 . 1 1 60 60 SER HA H 60 4.601 4.601 4.800 -0.199 19340 6407 1 13 . 1 1 60 60 SER CA C 60 57.598 57.598 55.115 2.483 19340 6408 1 13 . 1 1 60 60 SER CB C 60 62.511 62.511 65.285 -2.774 19340 6409 1 13 . 1 1 60 60 SER H H 60 9.088 9.088 8.349 0.739 19340 6410 1 13 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.548 -0.333 19340 6411 1 13 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.281 2.341 19340 6412 1 13 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.907 0.054 19340 6413 1 13 . 1 1 62 62 ASN N N 62 113.170 113.170 116.705 -3.535 19340 6414 1 13 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.780 -0.403 19340 6415 1 13 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.339 1.077 19340 6416 1 13 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.886 -1.882 19340 6417 1 13 . 1 1 62 62 ASN H H 62 8.389 8.389 8.404 -0.015 19340 6418 1 13 . 1 1 63 63 GLU N N 63 120.222 120.222 120.669 -0.447 19340 6419 1 13 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.123 -0.371 19340 6420 1 13 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.537 1.131 19340 6421 1 13 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.091 8.745 19340 6422 1 13 . 1 1 63 63 GLU H H 63 7.428 7.428 7.629 -0.201 19340 6423 1 13 . 1 1 64 64 ALA N N 64 120.568 120.568 122.191 -1.623 19340 6424 1 13 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.056 0.020 19340 6425 1 13 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.417 -0.597 19340 6426 1 13 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.550 -0.208 19340 6427 1 13 . 1 1 64 64 ALA H H 64 8.640 8.640 7.815 0.825 19340 6428 1 13 . 1 1 65 65 LYS N N 65 115.104 115.104 116.511 -1.407 19340 6429 1 13 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.022 -0.399 19340 6430 1 13 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.162 1.714 19340 6431 1 13 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.179 0.673 19340 6432 1 13 . 1 1 65 65 LYS H H 65 7.472 7.472 8.275 -0.803 19340 6433 1 13 . 1 1 66 66 VAL N N 66 116.911 116.911 119.206 -2.295 19340 6434 1 13 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.001 -0.450 19340 6435 1 13 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.330 2.974 19340 6436 1 13 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.050 -0.507 19340 6437 1 13 . 1 1 66 66 VAL H H 66 7.045 7.045 7.301 -0.256 19340 6438 1 13 . 1 1 67 67 GLU N N 67 120.755 120.755 119.990 0.765 19340 6439 1 13 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.146 -0.104 19340 6440 1 13 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.945 -1.536 19340 6441 1 13 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.773 3.162 19340 6442 1 13 . 1 1 67 67 GLU H H 67 8.439 8.439 8.558 -0.119 19340 6443 1 13 . 1 1 68 68 VAL N N 68 119.280 119.280 116.246 3.034 19340 6444 1 13 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.876 -0.521 19340 6445 1 13 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.034 1.399 19340 6446 1 13 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.049 -0.397 19340 6447 1 13 . 1 1 68 68 VAL H H 68 8.473 8.473 8.134 0.339 19340 6448 1 13 . 1 1 69 69 LEU N N 69 117.578 117.578 119.697 -2.119 19340 6449 1 13 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.017 -0.059 19340 6450 1 13 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.516 0.841 19340 6451 1 13 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.334 0.764 19340 6452 1 13 . 1 1 69 69 LEU H H 69 7.292 7.292 7.776 -0.484 19340 6453 1 13 . 1 1 70 70 LEU N N 70 118.482 118.482 118.615 -0.133 19340 6454 1 13 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.985 -0.004 19340 6455 1 13 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.084 0.290 19340 6456 1 13 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.772 0.409 19340 6457 1 13 . 1 1 70 70 LEU H H 70 8.237 8.237 7.485 0.752 19340 6458 1 13 . 1 1 71 71 GLU N N 71 123.582 123.582 120.391 3.191 19340 6459 1 13 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.970 -0.246 19340 6460 1 13 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.294 1.789 19340 6461 1 13 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.460 7.848 19340 6462 1 13 . 1 1 71 71 GLU H H 71 8.915 8.915 7.902 1.013 19340 6463 1 13 . 1 1 72 72 ALA N N 72 123.321 123.321 122.313 1.008 19340 6464 1 13 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.003 0.061 19340 6465 1 13 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.107 0.593 19340 6466 1 13 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.231 -0.390 19340 6467 1 13 . 1 1 72 72 ALA H H 72 8.994 8.994 8.060 0.934 19340 6468 1 13 . 1 1 73 73 LEU N N 73 118.574 118.574 118.927 -0.353 19340 6469 1 13 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.043 -0.085 19340 6470 1 13 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.501 0.735 19340 6471 1 13 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.932 0.416 19340 6472 1 13 . 1 1 73 73 LEU H H 73 8.544 8.544 7.377 1.167 19340 6473 1 13 . 1 1 74 74 THR N N 74 115.785 115.785 115.847 -0.062 19340 6474 1 13 . 1 1 74 74 THR HA H 74 3.578 3.578 3.851 -0.273 19340 6475 1 13 . 1 1 74 74 THR CA C 74 68.727 68.727 67.315 1.412 19340 6476 1 13 . 1 1 74 74 THR CB C 74 67.691 67.691 68.481 -0.790 19340 6477 1 13 . 1 1 74 74 THR H H 74 8.137 8.137 8.053 0.084 19340 6478 1 13 . 1 1 75 75 ALA N N 75 123.543 123.543 123.152 0.391 19340 6479 1 13 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.336 -0.640 19340 6480 1 13 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.842 0.720 19340 6481 1 13 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.402 0.971 19340 6482 1 13 . 1 1 75 75 ALA H H 75 8.585 8.585 7.616 0.969 19340 6483 1 13 . 1 1 76 76 ALA N N 76 118.729 118.729 121.006 -2.277 19340 6484 1 13 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.052 -0.278 19340 6485 1 13 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.430 1.011 19340 6486 1 13 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.632 -0.484 19340 6487 1 13 . 1 1 76 76 ALA H H 76 8.199 8.199 7.230 0.969 19340 6488 1 13 . 1 1 77 77 LEU N N 77 117.321 117.321 119.494 -2.173 19340 6489 1 13 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.821 0.054 19340 6490 1 13 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.941 0.261 19340 6491 1 13 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.712 -1.089 19340 6492 1 13 . 1 1 77 77 LEU H H 77 8.265 8.265 8.779 -0.514 19340 6493 1 13 . 1 1 78 78 GLN N N 78 121.687 121.687 117.839 3.848 19340 6494 1 13 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.012 -0.199 19340 6495 1 13 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.423 0.210 19340 6496 1 13 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.301 4.138 19340 6497 1 13 . 1 1 78 78 GLN H H 78 8.776 8.776 7.999 0.777 19340 6498 1 13 . 1 1 79 79 LEU N N 79 120.042 120.042 120.693 -0.651 19340 6499 1 13 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.147 -0.139 19340 6500 1 13 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.503 0.233 19340 6501 1 13 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.230 0.313 19340 6502 1 13 . 1 1 79 79 LEU H H 79 7.990 7.990 7.331 0.659 19340 6503 1 13 . 1 1 80 80 LEU N N 80 122.157 122.157 120.334 1.823 19340 6504 1 13 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.023 -0.199 19340 6505 1 13 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.098 0.991 19340 6506 1 13 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.959 2.445 19340 6507 1 13 . 1 1 80 80 LEU H H 80 8.454 8.454 8.631 -0.177 19340 6508 1 13 . 1 1 81 81 SER N N 81 114.179 114.179 114.903 -0.724 19340 6509 1 13 . 1 1 81 81 SER HA H 81 3.897 3.897 4.255 -0.358 19340 6510 1 13 . 1 1 81 81 SER CA C 81 61.756 61.756 60.831 0.925 19340 6511 1 13 . 1 1 81 81 SER CB C 81 63.486 63.486 62.980 0.506 19340 6512 1 13 . 1 1 81 81 SER H H 81 8.006 8.006 7.889 0.117 19340 6513 1 13 . 1 1 82 82 SER N N 82 113.392 113.392 114.590 -1.198 19340 6514 1 13 . 1 1 82 82 SER HA H 82 4.718 4.718 4.666 0.052 19340 6515 1 13 . 1 1 82 82 SER CA C 82 57.718 57.718 57.629 0.089 19340 6516 1 13 . 1 1 82 82 SER CB C 82 64.377 64.377 64.263 0.114 19340 6517 1 13 . 1 1 82 82 SER H H 82 7.160 7.160 8.182 -1.022 19340 6518 1 13 . 1 1 83 83 SER N N 83 117.607 117.607 119.539 -1.932 19340 6519 1 13 . 1 1 83 83 SER HA H 83 4.885 4.885 4.675 0.210 19340 6520 1 13 . 1 1 83 83 SER CA C 83 59.263 59.263 58.456 0.807 19340 6521 1 13 . 1 1 83 83 SER CB C 83 65.352 65.352 64.429 0.923 19340 6522 1 13 . 1 1 83 83 SER H H 83 7.369 7.369 7.826 -0.457 19340 6523 1 13 . 1 1 84 84 THR N N 84 117.656 117.656 115.669 1.987 19340 6524 1 13 . 1 1 84 84 THR HA H 84 4.545 4.545 4.469 0.076 19340 6525 1 13 . 1 1 84 84 THR CA C 84 62.006 62.006 62.433 -0.427 19340 6526 1 13 . 1 1 84 84 THR CB C 84 69.724 69.724 69.317 0.407 19340 6527 1 13 . 1 1 84 84 THR H H 84 8.488 8.488 8.100 0.388 19340 6528 1 13 . 1 1 85 85 LEU N N 85 130.429 130.429 119.799 10.630 19340 6529 1 13 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.104 0.184 19340 6530 1 13 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.224 1.071 19340 6531 1 13 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.493 1.897 19340 6532 1 13 . 1 1 85 85 LEU H H 85 8.878 8.878 7.701 1.177 19340 6533 1 13 . 1 1 86 86 GLY N N 86 112.150 112.150 107.285 4.865 19340 6534 1 13 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.609 -1.807 19340 6535 1 13 . 1 1 86 86 GLY H H 86 7.901 7.901 8.920 -1.019 19340 6536 1 13 . 1 1 87 87 ALA N N 87 122.559 122.559 122.479 0.080 19340 6537 1 13 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.489 -0.205 19340 6538 1 13 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.122 -0.167 19340 6539 1 13 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.698 -0.353 19340 6540 1 13 . 1 1 87 87 ALA H H 87 8.113 8.113 7.612 0.501 19340 6541 1 13 . 1 1 88 88 VAL N N 88 122.375 122.375 117.930 4.445 19340 6542 1 13 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.289 -0.482 19340 6543 1 13 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.693 0.271 19340 6544 1 13 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.806 -0.177 19340 6545 1 13 . 1 1 88 88 VAL H H 88 8.447 8.447 8.320 0.127 19340 6546 1 13 . 1 1 89 89 ASP N N 89 127.408 127.408 119.594 7.814 19340 6547 1 13 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.482 0.376 19340 6548 1 13 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.757 -2.155 19340 6549 1 13 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.813 1.004 19340 6550 1 13 . 1 1 89 89 ASP H H 89 8.570 8.570 8.451 0.119 19340 6551 1 13 . 1 1 90 90 THR N N 90 116.481 116.481 109.721 6.760 19340 6552 1 13 . 1 1 90 90 THR HA H 90 3.953 3.953 4.107 -0.154 19340 6553 1 13 . 1 1 90 90 THR CA C 90 63.879 63.879 64.122 -0.243 19340 6554 1 13 . 1 1 90 90 THR CB C 90 68.833 68.833 69.091 -0.258 19340 6555 1 13 . 1 1 90 90 THR H H 90 8.539 8.539 8.313 0.226 19340 6556 1 13 . 1 1 91 91 THR N N 91 114.681 114.681 115.170 -0.489 19340 6557 1 13 . 1 1 91 91 THR HA H 91 4.182 4.182 4.282 -0.100 19340 6558 1 13 . 1 1 91 91 THR CA C 91 64.750 64.750 64.106 0.644 19340 6559 1 13 . 1 1 91 91 THR CB C 91 69.055 69.055 68.718 0.337 19340 6560 1 13 . 1 1 91 91 THR H H 91 8.335 8.335 7.927 0.408 19340 6561 1 13 . 1 1 92 92 SER N N 92 114.236 114.236 116.989 -2.753 19340 6562 1 13 . 1 1 92 92 SER HA H 92 4.668 4.668 4.616 0.052 19340 6563 1 13 . 1 1 92 92 SER CA C 92 58.460 58.460 58.403 0.057 19340 6564 1 13 . 1 1 92 92 SER CB C 92 64.433 64.433 63.499 0.934 19340 6565 1 13 . 1 1 92 92 SER H H 92 7.642 7.642 7.585 0.057 19340 6566 1 13 . 1 1 93 93 ILE N N 93 122.128 122.128 123.192 -1.064 19340 6567 1 13 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.748 0.065 19340 6568 1 13 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.310 -0.180 19340 6569 1 13 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.258 0.941 19340 6570 1 13 . 1 1 93 93 ILE H H 93 7.276 7.276 7.161 0.115 19340 6571 1 13 . 1 1 94 94 GLY N N 94 108.426 108.426 107.134 1.292 19340 6572 1 13 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.205 -0.206 19340 6573 1 13 . 1 1 94 94 GLY H H 94 8.756 8.756 8.659 0.097 19340 6574 1 13 . 1 1 95 95 LEU N N 95 123.674 123.674 122.365 1.309 19340 6575 1 13 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.129 0.153 19340 6576 1 13 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.627 0.402 19340 6577 1 13 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.780 -0.518 19340 6578 1 13 . 1 1 95 95 LEU H H 95 7.568 7.568 7.530 0.038 19340 6579 1 13 . 1 1 96 96 THR N N 96 119.717 119.717 116.789 2.928 19340 6580 1 13 . 1 1 96 96 THR HA H 96 3.837 3.837 3.851 -0.014 19340 6581 1 13 . 1 1 96 96 THR CA C 96 66.683 66.683 67.443 -0.760 19340 6582 1 13 . 1 1 96 96 THR CB C 96 67.969 67.969 68.561 -0.592 19340 6583 1 13 . 1 1 96 96 THR H H 96 8.430 8.430 8.438 -0.008 19340 6584 1 13 . 1 1 97 97 SER N N 97 117.285 117.285 116.763 0.522 19340 6585 1 13 . 1 1 97 97 SER HA H 97 4.094 4.094 4.021 0.073 19340 6586 1 13 . 1 1 97 97 SER CA C 97 62.507 62.507 61.663 0.843 19340 6587 1 13 . 1 1 97 97 SER CB C 97 62.845 62.845 62.908 -0.063 19340 6588 1 13 . 1 1 97 97 SER H H 97 9.000 9.000 8.740 0.260 19340 6589 1 13 . 1 1 98 98 ASN N N 98 121.846 121.846 119.287 2.559 19340 6590 1 13 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.530 -0.142 19340 6591 1 13 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.398 1.484 19340 6592 1 13 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.617 0.217 19340 6593 1 13 . 1 1 98 98 ASN H H 98 7.939 7.939 7.683 0.256 19340 6594 1 13 . 1 1 99 99 SER N N 99 117.585 117.585 116.891 0.694 19340 6595 1 13 . 1 1 99 99 SER HA H 99 4.204 4.204 4.196 0.008 19340 6596 1 13 . 1 1 99 99 SER CA C 99 62.886 62.886 61.809 1.077 19340 6597 1 13 . 1 1 99 99 SER CB C 99 62.984 62.984 63.160 -0.175 19340 6598 1 13 . 1 1 99 99 SER H H 99 8.370 8.370 8.101 0.269 19340 6599 1 13 . 1 1 100 100 VAL N N 100 121.524 121.524 119.516 2.008 19340 6600 1 13 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.270 0.281 19340 6601 1 13 . 1 1 100 100 VAL CA C 100 67.951 67.951 65.698 2.253 19340 6602 1 13 . 1 1 100 100 VAL CB C 100 31.654 31.654 29.917 1.737 19340 6603 1 13 . 1 1 100 100 VAL H H 100 8.565 8.565 8.124 0.441 19340 6604 1 13 . 1 1 101 101 SER N N 101 113.005 113.005 116.298 -3.293 19340 6605 1 13 . 1 1 101 101 SER HA H 101 3.875 3.875 4.111 -0.236 19340 6606 1 13 . 1 1 101 101 SER CA C 101 62.326 62.326 62.062 0.264 19340 6607 1 13 . 1 1 101 101 SER CB C 101 63.263 63.263 62.744 0.519 19340 6608 1 13 . 1 1 101 101 SER H H 101 8.272 8.272 7.769 0.503 19340 6609 1 13 . 1 1 102 102 LYS N N 102 119.357 119.357 121.132 -1.775 19340 6610 1 13 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.123 -0.103 19340 6611 1 13 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.030 0.569 19340 6612 1 13 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.433 0.710 19340 6613 1 13 . 1 1 102 102 LYS H H 102 7.953 7.953 7.662 0.291 19340 6614 1 13 . 1 1 103 103 ALA N N 103 120.882 120.882 122.978 -2.096 19340 6615 1 13 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.139 0.104 19340 6616 1 13 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.081 -0.494 19340 6617 1 13 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.587 2.039 19340 6618 1 13 . 1 1 103 103 ALA H H 103 8.049 8.049 8.259 -0.210 19340 6619 1 13 . 1 1 104 104 VAL N N 104 116.191 116.191 119.039 -2.848 19340 6620 1 13 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.672 -0.423 19340 6621 1 13 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.849 0.265 19340 6622 1 13 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.806 -0.792 19340 6623 1 13 . 1 1 104 104 VAL H H 104 8.572 8.572 8.524 0.048 19340 6624 1 13 . 1 1 105 105 ALA N N 105 121.884 121.884 120.479 1.405 19340 6625 1 13 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.272 -0.381 19340 6626 1 13 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.406 0.897 19340 6627 1 13 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.394 0.088 19340 6628 1 13 . 1 1 105 105 ALA H H 105 8.347 8.347 7.766 0.581 19340 6629 1 13 . 1 1 106 106 GLN N N 106 113.657 113.657 118.665 -5.008 19340 6630 1 13 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.158 -0.127 19340 6631 1 13 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.405 -0.057 19340 6632 1 13 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.060 6.187 19340 6633 1 13 . 1 1 106 106 GLN H H 106 7.838 7.838 7.981 -0.143 19340 6634 1 13 . 1 1 107 107 ALA N N 107 117.818 117.818 121.172 -3.354 19340 6635 1 13 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.365 -0.111 19340 6636 1 13 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.056 0.099 19340 6637 1 13 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.929 3.229 19340 6638 1 13 . 1 1 107 107 ALA H H 107 8.145 8.145 7.923 0.222 19340 6639 1 13 . 1 1 108 108 LEU N N 108 113.428 113.428 118.589 -5.161 19340 6640 1 13 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.249 0.173 19340 6641 1 13 . 1 1 108 108 LEU CA C 108 54.405 54.405 56.012 -1.607 19340 6642 1 13 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.431 0.224 19340 6643 1 13 . 1 1 108 108 LEU H H 108 8.341 8.341 8.043 0.298 19340 6644 1 14 . 1 1 2 2 SER N N 2 117.112 117.112 116.062 1.050 19340 6645 1 14 . 1 1 2 2 SER HA H 2 4.500 4.500 4.036 0.464 19340 6646 1 14 . 1 1 2 2 SER CA C 2 58.547 58.547 57.865 0.682 19340 6647 1 14 . 1 1 2 2 SER CB C 2 63.820 63.820 64.238 -0.418 19340 6648 1 14 . 1 1 2 2 SER H H 2 8.748 8.748 8.000 0.748 19340 6649 1 14 . 1 1 3 3 PHE N N 3 123.783 123.783 121.990 1.793 19340 6650 1 14 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.496 -0.275 19340 6651 1 14 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.733 2.358 19340 6652 1 14 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.555 0.312 19340 6653 1 14 . 1 1 3 3 PHE H H 3 8.398 8.398 8.514 -0.116 19340 6654 1 14 . 1 1 4 4 GLY N N 4 106.435 106.435 108.196 -1.761 19340 6655 1 14 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.764 0.456 19340 6656 1 14 . 1 1 4 4 GLY H H 4 8.699 8.699 8.327 0.372 19340 6657 1 14 . 1 1 5 5 LEU N N 5 121.041 121.041 119.575 1.466 19340 6658 1 14 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.295 -0.164 19340 6659 1 14 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.348 0.258 19340 6660 1 14 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.659 0.132 19340 6661 1 14 . 1 1 5 5 LEU H H 5 7.590 7.590 7.358 0.232 19340 6662 1 14 . 1 1 6 6 VAL N N 6 118.980 118.980 115.422 3.558 19340 6663 1 14 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.833 -0.132 19340 6664 1 14 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.604 0.164 19340 6665 1 14 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.480 0.843 19340 6666 1 14 . 1 1 6 6 VAL H H 6 7.630 7.630 7.645 -0.015 19340 6667 1 14 . 1 1 7 7 LEU N N 7 120.127 120.127 117.405 2.722 19340 6668 1 14 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.222 0.038 19340 6669 1 14 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.410 0.660 19340 6670 1 14 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.561 0.230 19340 6671 1 14 . 1 1 7 7 LEU H H 7 8.171 8.171 7.498 0.673 19340 6672 1 14 . 1 1 8 8 ASN N N 8 114.592 114.592 115.191 -0.599 19340 6673 1 14 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.749 0.075 19340 6674 1 14 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.371 -0.648 19340 6675 1 14 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.637 -0.296 19340 6676 1 14 . 1 1 8 8 ASN H H 8 7.602 7.602 7.580 0.022 19340 6677 1 14 . 1 1 9 9 SER N N 9 116.029 116.029 116.611 -0.582 19340 6678 1 14 . 1 1 9 9 SER HA H 9 4.690 4.690 4.530 0.160 19340 6679 1 14 . 1 1 9 9 SER CA C 9 56.675 56.675 57.498 -0.823 19340 6680 1 14 . 1 1 9 9 SER CB C 9 64.210 64.210 63.520 0.690 19340 6681 1 14 . 1 1 9 9 SER H H 9 7.186 7.186 7.771 -0.585 19340 6682 1 14 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.460 -0.021 19340 6683 1 14 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.454 0.253 19340 6684 1 14 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.052 -0.008 19340 6685 1 14 . 1 1 11 11 ASN N N 11 114.702 114.702 112.713 1.989 19340 6686 1 14 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.809 0.250 19340 6687 1 14 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.842 0.924 19340 6688 1 14 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.067 2.220 19340 6689 1 14 . 1 1 11 11 ASN H H 11 8.150 8.150 7.794 0.356 19340 6690 1 14 . 1 1 12 12 GLY N N 12 122.938 122.938 109.637 13.301 19340 6691 1 14 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.574 -2.453 19340 6692 1 14 . 1 1 12 12 GLY H H 12 7.324 7.324 7.762 -0.438 19340 6693 1 14 . 1 1 13 13 LEU N N 13 124.662 124.662 118.264 6.398 19340 6694 1 14 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.801 -1.072 19340 6695 1 14 . 1 1 13 13 LEU CA C 13 58.020 58.020 54.512 3.508 19340 6696 1 14 . 1 1 13 13 LEU CB C 13 43.685 43.685 43.316 0.369 19340 6697 1 14 . 1 1 13 13 LEU H H 13 9.253 9.253 8.055 1.198 19340 6698 1 14 . 1 1 14 14 ARG N N 14 113.071 113.071 119.116 -6.045 19340 6699 1 14 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.263 0.025 19340 6700 1 14 . 1 1 14 14 ARG CA C 14 56.390 56.390 56.985 -0.595 19340 6701 1 14 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.305 -0.267 19340 6702 1 14 . 1 1 14 14 ARG H H 14 8.168 8.168 7.914 0.254 19340 6703 1 14 . 1 1 15 15 SER N N 15 118.055 118.055 114.847 3.208 19340 6704 1 14 . 1 1 15 15 SER HA H 15 4.690 4.690 4.731 -0.041 19340 6705 1 14 . 1 1 15 15 SER CA C 15 57.520 57.520 57.220 0.300 19340 6706 1 14 . 1 1 15 15 SER CB C 15 65.463 65.463 64.669 0.794 19340 6707 1 14 . 1 1 15 15 SER H H 15 8.264 8.264 7.686 0.578 19340 6708 1 14 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.301 0.076 19340 6709 1 14 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.014 0.340 19340 6710 1 14 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.941 -0.175 19340 6711 1 14 . 1 1 17 17 GLN N N 17 117.374 117.374 117.611 -0.237 19340 6712 1 14 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.043 0.072 19340 6713 1 14 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.791 0.480 19340 6714 1 14 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.175 0.718 19340 6715 1 14 . 1 1 17 17 GLN H H 17 8.661 8.661 8.835 -0.174 19340 6716 1 14 . 1 1 18 18 ALA N N 18 122.904 122.904 122.299 0.605 19340 6717 1 14 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.112 -0.243 19340 6718 1 14 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.602 0.787 19340 6719 1 14 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.236 1.081 19340 6720 1 14 . 1 1 18 18 ALA H H 18 7.785 7.785 7.544 0.241 19340 6721 1 14 . 1 1 19 19 LYS N N 19 116.947 116.947 119.178 -2.231 19340 6722 1 14 . 1 1 19 19 LYS HA H 19 3.752 3.752 3.986 -0.234 19340 6723 1 14 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.520 1.210 19340 6724 1 14 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.150 -0.551 19340 6725 1 14 . 1 1 19 19 LYS H H 19 7.410 7.410 7.420 -0.010 19340 6726 1 14 . 1 1 20 20 ALA N N 20 119.887 119.887 121.881 -1.994 19340 6727 1 14 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.007 0.164 19340 6728 1 14 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.065 -0.056 19340 6729 1 14 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.444 -0.157 19340 6730 1 14 . 1 1 20 20 ALA H H 20 7.362 7.362 7.723 -0.361 19340 6731 1 14 . 1 1 21 21 ARG N N 21 118.182 118.182 118.778 -0.596 19340 6732 1 14 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.008 0.040 19340 6733 1 14 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.234 1.358 19340 6734 1 14 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.285 1.730 19340 6735 1 14 . 1 1 21 21 ARG H H 21 7.502 7.502 7.525 -0.023 19340 6736 1 14 . 1 1 22 22 ILE N N 22 122.484 122.484 119.902 2.582 19340 6737 1 14 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.639 -0.094 19340 6738 1 14 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.333 0.677 19340 6739 1 14 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.508 0.496 19340 6740 1 14 . 1 1 22 22 ILE H H 22 9.258 9.258 8.047 1.211 19340 6741 1 14 . 1 1 23 23 ASN N N 23 119.721 119.721 118.652 1.069 19340 6742 1 14 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.318 -0.041 19340 6743 1 14 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.874 0.284 19340 6744 1 14 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.347 0.604 19340 6745 1 14 . 1 1 23 23 ASN H H 23 8.395 8.395 7.998 0.397 19340 6746 1 14 . 1 1 24 24 ASN N N 24 117.554 117.554 117.937 -0.383 19340 6747 1 14 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.489 0.006 19340 6748 1 14 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.675 0.784 19340 6749 1 14 . 1 1 24 24 ASN CB C 24 37.954 37.954 37.960 -0.006 19340 6750 1 14 . 1 1 24 24 ASN H H 24 8.002 8.002 7.681 0.321 19340 6751 1 14 . 1 1 25 25 LEU N N 25 123.367 123.367 121.911 1.456 19340 6752 1 14 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.036 0.118 19340 6753 1 14 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.430 -0.513 19340 6754 1 14 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.861 1.072 19340 6755 1 14 . 1 1 25 25 LEU H H 25 8.235 8.235 7.537 0.698 19340 6756 1 14 . 1 1 26 26 ALA N N 26 123.137 123.137 120.077 3.060 19340 6757 1 14 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.072 -0.203 19340 6758 1 14 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.786 0.922 19340 6759 1 14 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.171 -1.220 19340 6760 1 14 . 1 1 26 26 ALA H H 26 9.068 9.068 8.362 0.706 19340 6761 1 14 . 1 1 27 27 SER N N 27 113.809 113.809 113.095 0.714 19340 6762 1 14 . 1 1 27 27 SER HA H 27 4.182 4.182 4.486 -0.304 19340 6763 1 14 . 1 1 27 27 SER CA C 27 62.075 62.075 60.051 2.024 19340 6764 1 14 . 1 1 27 27 SER CB C 27 62.929 62.929 64.047 -1.118 19340 6765 1 14 . 1 1 27 27 SER H H 27 8.004 8.004 7.360 0.644 19340 6766 1 14 . 1 1 28 28 ALA N N 28 124.782 124.782 125.619 -0.837 19340 6767 1 14 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.042 0.162 19340 6768 1 14 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.204 0.056 19340 6769 1 14 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.375 -0.673 19340 6770 1 14 . 1 1 28 28 ALA H H 28 7.970 7.970 7.883 0.087 19340 6771 1 14 . 1 1 29 29 LEU N N 29 117.907 117.907 117.678 0.229 19340 6772 1 14 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.959 -0.135 19340 6773 1 14 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.177 -0.182 19340 6774 1 14 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.467 1.059 19340 6775 1 14 . 1 1 29 29 LEU H H 29 8.960 8.960 8.694 0.266 19340 6776 1 14 . 1 1 30 30 SER N N 30 112.859 112.859 111.972 0.887 19340 6777 1 14 . 1 1 30 30 SER HA H 30 4.076 4.076 4.143 -0.067 19340 6778 1 14 . 1 1 30 30 SER CA C 30 61.998 61.998 60.860 1.138 19340 6779 1 14 . 1 1 30 30 SER CB C 30 63.012 63.012 62.911 0.101 19340 6780 1 14 . 1 1 30 30 SER H H 30 7.951 7.951 7.958 -0.007 19340 6781 1 14 . 1 1 31 31 THR N N 31 109.820 109.820 115.733 -5.913 19340 6782 1 14 . 1 1 31 31 THR HA H 31 4.472 4.472 4.257 0.215 19340 6783 1 14 . 1 1 31 31 THR CA C 31 62.731 62.731 64.474 -1.743 19340 6784 1 14 . 1 1 31 31 THR CB C 31 69.362 69.362 69.180 0.183 19340 6785 1 14 . 1 1 31 31 THR H H 31 7.164 7.164 7.477 -0.313 19340 6786 1 14 . 1 1 32 32 ALA N N 32 122.926 122.926 122.952 -0.026 19340 6787 1 14 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.341 0.086 19340 6788 1 14 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.606 -0.521 19340 6789 1 14 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.655 0.971 19340 6790 1 14 . 1 1 32 32 ALA H H 32 7.997 7.997 7.729 0.268 19340 6791 1 14 . 1 1 33 33 VAL N N 33 116.339 116.339 118.119 -1.780 19340 6792 1 14 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.128 0.333 19340 6793 1 14 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.197 -1.596 19340 6794 1 14 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.878 0.751 19340 6795 1 14 . 1 1 33 33 VAL H H 33 7.550 7.550 8.102 -0.552 19340 6796 1 14 . 1 1 34 34 GLY N N 34 113.114 113.114 113.690 -0.576 19340 6797 1 14 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.789 -0.520 19340 6798 1 14 . 1 1 34 34 GLY H H 34 7.886 7.886 8.553 -0.667 19340 6799 1 14 . 1 1 35 35 ARG N N 35 120.709 120.709 120.486 0.223 19340 6800 1 14 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.323 0.060 19340 6801 1 14 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.881 1.019 19340 6802 1 14 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.853 0.019 19340 6803 1 14 . 1 1 35 35 ARG H H 35 8.773 8.773 8.561 0.212 19340 6804 1 14 . 1 1 36 36 ASN N N 36 114.578 114.578 116.814 -2.236 19340 6805 1 14 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.738 0.086 19340 6806 1 14 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.324 0.770 19340 6807 1 14 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.270 0.347 19340 6808 1 14 . 1 1 36 36 ASN H H 36 8.628 8.628 8.012 0.616 19340 6809 1 14 . 1 1 37 37 GLY N N 37 108.462 108.462 109.935 -1.473 19340 6810 1 14 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.896 -1.179 19340 6811 1 14 . 1 1 37 37 GLY H H 37 7.880 7.880 8.066 -0.185 19340 6812 1 14 . 1 1 38 38 VAL N N 38 121.761 121.761 120.082 1.679 19340 6813 1 14 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.275 0.102 19340 6814 1 14 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.528 -0.462 19340 6815 1 14 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.210 -0.439 19340 6816 1 14 . 1 1 38 38 VAL H H 38 8.565 8.565 7.740 0.825 19340 6817 1 14 . 1 1 39 39 ASP N N 39 127.585 127.585 127.705 -0.120 19340 6818 1 14 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.865 -0.214 19340 6819 1 14 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.014 0.831 19340 6820 1 14 . 1 1 39 39 ASP CB C 39 41.429 41.429 41.056 0.374 19340 6821 1 14 . 1 1 39 39 ASP H H 39 9.007 9.007 8.598 0.409 19340 6822 1 14 . 1 1 40 40 VAL N N 40 129.021 129.021 125.549 3.472 19340 6823 1 14 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.716 -0.221 19340 6824 1 14 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.736 1.663 19340 6825 1 14 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.677 0.674 19340 6826 1 14 . 1 1 40 40 VAL H H 40 8.632 8.632 8.437 0.195 19340 6827 1 14 . 1 1 41 41 ASN N N 41 122.301 122.301 118.418 3.883 19340 6828 1 14 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.483 -0.033 19340 6829 1 14 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.517 0.494 19340 6830 1 14 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.272 -0.435 19340 6831 1 14 . 1 1 41 41 ASN H H 41 8.673 8.673 8.388 0.285 19340 6832 1 14 . 1 1 42 42 ALA N N 42 124.313 124.313 121.877 2.436 19340 6833 1 14 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.277 -0.079 19340 6834 1 14 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.178 0.692 19340 6835 1 14 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.764 -0.087 19340 6836 1 14 . 1 1 42 42 ALA H H 42 8.420 8.420 7.643 0.777 19340 6837 1 14 . 1 1 43 43 PHE N N 43 119.198 119.198 119.179 0.019 19340 6838 1 14 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.204 0.279 19340 6839 1 14 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.501 -3.334 19340 6840 1 14 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.372 -0.198 19340 6841 1 14 . 1 1 43 43 PHE H H 43 8.611 8.611 8.618 -0.007 19340 6842 1 14 . 1 1 44 44 THR N N 44 116.700 116.700 114.462 2.238 19340 6843 1 14 . 1 1 44 44 THR HA H 44 4.349 4.349 4.123 0.226 19340 6844 1 14 . 1 1 44 44 THR CA C 44 68.443 68.443 66.085 2.358 19340 6845 1 14 . 1 1 44 44 THR CB C 44 68.248 68.248 68.632 -0.384 19340 6846 1 14 . 1 1 44 44 THR H H 44 8.881 8.881 8.845 0.036 19340 6847 1 14 . 1 1 45 45 SER N N 45 116.018 116.018 116.315 -0.297 19340 6848 1 14 . 1 1 45 45 SER HA H 45 4.117 4.117 4.205 -0.088 19340 6849 1 14 . 1 1 45 45 SER CA C 45 62.507 62.507 61.485 1.022 19340 6850 1 14 . 1 1 45 45 SER CB C 45 62.706 62.706 62.344 0.362 19340 6851 1 14 . 1 1 45 45 SER H H 45 8.020 8.020 7.924 0.096 19340 6852 1 14 . 1 1 46 46 GLY N N 46 108.460 108.460 109.694 -1.234 19340 6853 1 14 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.444 0.662 19340 6854 1 14 . 1 1 46 46 GLY H H 46 7.871 7.871 7.481 0.390 19340 6855 1 14 . 1 1 47 47 LEU N N 47 123.148 123.148 122.447 0.701 19340 6856 1 14 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.851 -0.021 19340 6857 1 14 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.577 0.763 19340 6858 1 14 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.610 0.822 19340 6859 1 14 . 1 1 47 47 LEU H H 47 8.221 8.221 7.413 0.808 19340 6860 1 14 . 1 1 48 48 ARG N N 48 118.694 118.694 119.028 -0.334 19340 6861 1 14 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.985 -0.138 19340 6862 1 14 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.832 0.406 19340 6863 1 14 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.834 0.511 19340 6864 1 14 . 1 1 48 48 ARG H H 48 8.646 8.646 8.201 0.445 19340 6865 1 14 . 1 1 49 49 ALA N N 49 122.114 122.114 120.868 1.246 19340 6866 1 14 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.233 -0.074 19340 6867 1 14 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.955 0.253 19340 6868 1 14 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.145 -0.053 19340 6869 1 14 . 1 1 49 49 ALA H H 49 8.078 8.078 7.505 0.573 19340 6870 1 14 . 1 1 50 50 THR N N 50 115.708 115.708 116.942 -1.234 19340 6871 1 14 . 1 1 50 50 THR HA H 50 3.696 3.696 3.987 -0.291 19340 6872 1 14 . 1 1 50 50 THR CA C 50 67.692 67.692 67.326 0.366 19340 6873 1 14 . 1 1 50 50 THR CB C 50 68.599 68.599 68.928 -0.329 19340 6874 1 14 . 1 1 50 50 THR H H 50 7.577 7.577 7.910 -0.333 19340 6875 1 14 . 1 1 51 51 LEU N N 51 121.108 121.108 122.789 -1.681 19340 6876 1 14 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.130 -0.339 19340 6877 1 14 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.661 0.592 19340 6878 1 14 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.876 1.110 19340 6879 1 14 . 1 1 51 51 LEU H H 51 8.014 8.014 8.753 -0.739 19340 6880 1 14 . 1 1 52 52 SER N N 52 115.122 115.122 114.254 0.868 19340 6881 1 14 . 1 1 52 52 SER HA H 52 4.154 4.154 4.089 0.065 19340 6882 1 14 . 1 1 52 52 SER CA C 52 61.765 61.765 61.522 0.243 19340 6883 1 14 . 1 1 52 52 SER CB C 52 62.901 62.901 62.844 0.057 19340 6884 1 14 . 1 1 52 52 SER H H 52 8.442 8.442 7.981 0.461 19340 6885 1 14 . 1 1 53 53 ASN N N 53 119.438 119.438 119.828 -0.390 19340 6886 1 14 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.504 0.136 19340 6887 1 14 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.119 -0.126 19340 6888 1 14 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.715 0.792 19340 6889 1 14 . 1 1 53 53 ASN H H 53 7.705 7.705 7.961 -0.256 19340 6890 1 14 . 1 1 54 54 LEU N N 54 120.042 120.042 120.779 -0.737 19340 6891 1 14 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.188 0.005 19340 6892 1 14 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.364 -0.249 19340 6893 1 14 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.949 1.040 19340 6894 1 14 . 1 1 54 54 LEU H H 54 7.811 7.811 8.562 -0.750 19340 6895 1 14 . 1 1 55 55 GLY N N 55 109.450 109.450 105.644 3.806 19340 6896 1 14 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.436 1.240 19340 6897 1 14 . 1 1 55 55 GLY H H 55 8.074 8.074 8.223 -0.149 19340 6898 1 14 . 1 1 56 56 ASP N N 56 121.016 121.016 118.118 2.898 19340 6899 1 14 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.841 -0.084 19340 6900 1 14 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.505 1.306 19340 6901 1 14 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.336 -0.798 19340 6902 1 14 . 1 1 56 56 ASP H H 56 8.144 8.144 7.451 0.693 19340 6903 1 14 . 1 1 57 57 SER N N 57 113.978 113.978 114.891 -0.913 19340 6904 1 14 . 1 1 57 57 SER HA H 57 4.305 4.305 4.388 -0.083 19340 6905 1 14 . 1 1 57 57 SER CA C 57 60.031 60.031 59.988 0.043 19340 6906 1 14 . 1 1 57 57 SER CB C 57 65.212 65.212 64.269 0.943 19340 6907 1 14 . 1 1 57 57 SER H H 57 7.742 7.742 7.927 -0.185 19340 6908 1 14 . 1 1 58 58 GLY N N 58 110.315 110.315 107.730 2.585 19340 6909 1 14 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.944 0.746 19340 6910 1 14 . 1 1 58 58 GLY H H 58 8.306 8.306 7.793 0.513 19340 6911 1 14 . 1 1 59 59 MET N N 59 120.024 120.024 116.664 3.360 19340 6912 1 14 . 1 1 59 59 MET HA H 59 4.416 4.416 4.819 -0.403 19340 6913 1 14 . 1 1 59 59 MET CA C 59 56.597 56.597 54.835 1.762 19340 6914 1 14 . 1 1 59 59 MET CB C 59 34.328 34.328 34.192 0.136 19340 6915 1 14 . 1 1 59 59 MET H H 59 7.686 7.686 7.340 0.346 19340 6916 1 14 . 1 1 60 60 SER N N 60 122.795 122.795 114.077 8.718 19340 6917 1 14 . 1 1 60 60 SER HA H 60 4.601 4.601 4.793 -0.192 19340 6918 1 14 . 1 1 60 60 SER CA C 60 57.598 57.598 54.745 2.853 19340 6919 1 14 . 1 1 60 60 SER CB C 60 62.511 62.511 65.192 -2.680 19340 6920 1 14 . 1 1 60 60 SER H H 60 9.088 9.088 8.341 0.747 19340 6921 1 14 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.533 -0.318 19340 6922 1 14 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.278 2.345 19340 6923 1 14 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.944 0.017 19340 6924 1 14 . 1 1 62 62 ASN N N 62 113.170 113.170 116.591 -3.421 19340 6925 1 14 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.782 -0.405 19340 6926 1 14 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.251 1.165 19340 6927 1 14 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.985 -1.981 19340 6928 1 14 . 1 1 62 62 ASN H H 62 8.389 8.389 8.448 -0.059 19340 6929 1 14 . 1 1 63 63 GLU N N 63 120.222 120.222 120.650 -0.428 19340 6930 1 14 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.137 -0.385 19340 6931 1 14 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.566 1.102 19340 6932 1 14 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.103 8.734 19340 6933 1 14 . 1 1 63 63 GLU H H 63 7.428 7.428 7.575 -0.147 19340 6934 1 14 . 1 1 64 64 ALA N N 64 120.568 120.568 122.109 -1.541 19340 6935 1 14 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.062 0.014 19340 6936 1 14 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.419 -0.599 19340 6937 1 14 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.558 -0.216 19340 6938 1 14 . 1 1 64 64 ALA H H 64 8.640 8.640 7.790 0.850 19340 6939 1 14 . 1 1 65 65 LYS N N 65 115.104 115.104 116.691 -1.587 19340 6940 1 14 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.023 -0.400 19340 6941 1 14 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.190 1.686 19340 6942 1 14 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.189 0.663 19340 6943 1 14 . 1 1 65 65 LYS H H 65 7.472 7.472 8.287 -0.815 19340 6944 1 14 . 1 1 66 66 VAL N N 66 116.911 116.911 119.272 -2.361 19340 6945 1 14 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.001 -0.450 19340 6946 1 14 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.380 2.924 19340 6947 1 14 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.098 -0.555 19340 6948 1 14 . 1 1 66 66 VAL H H 66 7.045 7.045 7.276 -0.231 19340 6949 1 14 . 1 1 67 67 GLU N N 67 120.755 120.755 120.043 0.712 19340 6950 1 14 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.097 -0.055 19340 6951 1 14 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.965 -1.556 19340 6952 1 14 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.731 3.204 19340 6953 1 14 . 1 1 67 67 GLU H H 67 8.439 8.439 8.638 -0.199 19340 6954 1 14 . 1 1 68 68 VAL N N 68 119.280 119.280 116.668 2.612 19340 6955 1 14 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.620 -0.265 19340 6956 1 14 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.269 1.163 19340 6957 1 14 . 1 1 68 68 VAL CB C 68 30.652 30.652 30.924 -0.272 19340 6958 1 14 . 1 1 68 68 VAL H H 68 8.473 8.473 8.073 0.400 19340 6959 1 14 . 1 1 69 69 LEU N N 69 117.578 117.578 119.794 -2.216 19340 6960 1 14 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.999 -0.041 19340 6961 1 14 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.504 0.853 19340 6962 1 14 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.325 0.773 19340 6963 1 14 . 1 1 69 69 LEU H H 69 7.292 7.292 7.742 -0.450 19340 6964 1 14 . 1 1 70 70 LEU N N 70 118.482 118.482 118.901 -0.419 19340 6965 1 14 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.945 0.036 19340 6966 1 14 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.758 0.616 19340 6967 1 14 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.902 0.279 19340 6968 1 14 . 1 1 70 70 LEU H H 70 8.237 8.237 7.409 0.828 19340 6969 1 14 . 1 1 71 71 GLU N N 71 123.582 123.582 119.739 3.843 19340 6970 1 14 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.944 -0.220 19340 6971 1 14 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.621 1.462 19340 6972 1 14 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.673 7.635 19340 6973 1 14 . 1 1 71 71 GLU H H 71 8.915 8.915 8.095 0.820 19340 6974 1 14 . 1 1 72 72 ALA N N 72 123.321 123.321 121.532 1.789 19340 6975 1 14 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.013 0.051 19340 6976 1 14 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.225 0.475 19340 6977 1 14 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.533 -0.692 19340 6978 1 14 . 1 1 72 72 ALA H H 72 8.994 8.994 8.245 0.750 19340 6979 1 14 . 1 1 73 73 LEU N N 73 118.574 118.574 119.011 -0.437 19340 6980 1 14 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.030 -0.072 19340 6981 1 14 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.510 0.726 19340 6982 1 14 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.932 0.416 19340 6983 1 14 . 1 1 73 73 LEU H H 73 8.544 8.544 7.337 1.207 19340 6984 1 14 . 1 1 74 74 THR N N 74 115.785 115.785 115.861 -0.076 19340 6985 1 14 . 1 1 74 74 THR HA H 74 3.578 3.578 3.844 -0.266 19340 6986 1 14 . 1 1 74 74 THR CA C 74 68.727 68.727 67.367 1.360 19340 6987 1 14 . 1 1 74 74 THR CB C 74 67.691 67.691 68.496 -0.805 19340 6988 1 14 . 1 1 74 74 THR H H 74 8.137 8.137 8.043 0.094 19340 6989 1 14 . 1 1 75 75 ALA N N 75 123.543 123.543 123.192 0.351 19340 6990 1 14 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.356 -0.660 19340 6991 1 14 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.889 0.673 19340 6992 1 14 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.450 0.923 19340 6993 1 14 . 1 1 75 75 ALA H H 75 8.585 8.585 7.603 0.982 19340 6994 1 14 . 1 1 76 76 ALA N N 76 118.729 118.729 120.827 -2.098 19340 6995 1 14 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.045 -0.271 19340 6996 1 14 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.429 1.012 19340 6997 1 14 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.611 -0.463 19340 6998 1 14 . 1 1 76 76 ALA H H 76 8.199 8.199 7.244 0.955 19340 6999 1 14 . 1 1 77 77 LEU N N 77 117.321 117.321 119.455 -2.134 19340 7000 1 14 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.820 0.055 19340 7001 1 14 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.919 0.283 19340 7002 1 14 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.704 -1.082 19340 7003 1 14 . 1 1 77 77 LEU H H 77 8.265 8.265 8.773 -0.508 19340 7004 1 14 . 1 1 78 78 GLN N N 78 121.687 121.687 117.862 3.825 19340 7005 1 14 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.002 -0.189 19340 7006 1 14 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.432 0.201 19340 7007 1 14 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.282 4.157 19340 7008 1 14 . 1 1 78 78 GLN H H 78 8.776 8.776 8.021 0.755 19340 7009 1 14 . 1 1 79 79 LEU N N 79 120.042 120.042 120.494 -0.452 19340 7010 1 14 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.145 -0.137 19340 7011 1 14 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.582 0.154 19340 7012 1 14 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.208 0.335 19340 7013 1 14 . 1 1 79 79 LEU H H 79 7.990 7.990 7.336 0.654 19340 7014 1 14 . 1 1 80 80 LEU N N 80 122.157 122.157 120.390 1.767 19340 7015 1 14 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.020 -0.196 19340 7016 1 14 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.073 1.016 19340 7017 1 14 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.954 2.450 19340 7018 1 14 . 1 1 80 80 LEU H H 80 8.454 8.454 8.437 0.017 19340 7019 1 14 . 1 1 81 81 SER N N 81 114.179 114.179 114.643 -0.464 19340 7020 1 14 . 1 1 81 81 SER HA H 81 3.897 3.897 4.239 -0.342 19340 7021 1 14 . 1 1 81 81 SER CA C 81 61.756 61.756 60.953 0.804 19340 7022 1 14 . 1 1 81 81 SER CB C 81 63.486 63.486 63.013 0.473 19340 7023 1 14 . 1 1 81 81 SER H H 81 8.006 8.006 7.841 0.165 19340 7024 1 14 . 1 1 82 82 SER N N 82 113.392 113.392 113.966 -0.574 19340 7025 1 14 . 1 1 82 82 SER HA H 82 4.718 4.718 4.645 0.073 19340 7026 1 14 . 1 1 82 82 SER CA C 82 57.718 57.718 58.144 -0.426 19340 7027 1 14 . 1 1 82 82 SER CB C 82 64.377 64.377 64.325 0.052 19340 7028 1 14 . 1 1 82 82 SER H H 82 7.160 7.160 8.022 -0.862 19340 7029 1 14 . 1 1 83 83 SER N N 83 117.607 117.607 117.478 0.129 19340 7030 1 14 . 1 1 83 83 SER HA H 83 4.885 4.885 4.687 0.198 19340 7031 1 14 . 1 1 83 83 SER CA C 83 59.263 59.263 58.334 0.929 19340 7032 1 14 . 1 1 83 83 SER CB C 83 65.352 65.352 64.682 0.670 19340 7033 1 14 . 1 1 83 83 SER H H 83 7.369 7.369 7.738 -0.369 19340 7034 1 14 . 1 1 84 84 THR N N 84 117.656 117.656 115.694 1.962 19340 7035 1 14 . 1 1 84 84 THR HA H 84 4.545 4.545 4.466 0.079 19340 7036 1 14 . 1 1 84 84 THR CA C 84 62.006 62.006 62.442 -0.436 19340 7037 1 14 . 1 1 84 84 THR CB C 84 69.724 69.724 69.318 0.406 19340 7038 1 14 . 1 1 84 84 THR H H 84 8.488 8.488 8.096 0.392 19340 7039 1 14 . 1 1 85 85 LEU N N 85 130.429 130.429 119.663 10.766 19340 7040 1 14 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.104 0.184 19340 7041 1 14 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.232 1.063 19340 7042 1 14 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.478 1.912 19340 7043 1 14 . 1 1 85 85 LEU H H 85 8.878 8.878 7.702 1.176 19340 7044 1 14 . 1 1 86 86 GLY N N 86 112.150 112.150 107.166 4.984 19340 7045 1 14 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.612 -1.810 19340 7046 1 14 . 1 1 86 86 GLY H H 86 7.901 7.901 8.907 -1.006 19340 7047 1 14 . 1 1 87 87 ALA N N 87 122.559 122.559 122.505 0.054 19340 7048 1 14 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.486 -0.202 19340 7049 1 14 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.119 -0.164 19340 7050 1 14 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.701 -0.356 19340 7051 1 14 . 1 1 87 87 ALA H H 87 8.113 8.113 7.610 0.503 19340 7052 1 14 . 1 1 88 88 VAL N N 88 122.375 122.375 117.938 4.437 19340 7053 1 14 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.289 -0.482 19340 7054 1 14 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.693 0.271 19340 7055 1 14 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.800 -0.171 19340 7056 1 14 . 1 1 88 88 VAL H H 88 8.447 8.447 8.319 0.128 19340 7057 1 14 . 1 1 89 89 ASP N N 89 127.408 127.408 119.468 7.940 19340 7058 1 14 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.481 0.377 19340 7059 1 14 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.761 -2.159 19340 7060 1 14 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.832 0.985 19340 7061 1 14 . 1 1 89 89 ASP H H 89 8.570 8.570 8.451 0.119 19340 7062 1 14 . 1 1 90 90 THR N N 90 116.481 116.481 109.863 6.618 19340 7063 1 14 . 1 1 90 90 THR HA H 90 3.953 3.953 4.100 -0.147 19340 7064 1 14 . 1 1 90 90 THR CA C 90 63.879 63.879 64.165 -0.286 19340 7065 1 14 . 1 1 90 90 THR CB C 90 68.833 68.833 69.074 -0.241 19340 7066 1 14 . 1 1 90 90 THR H H 90 8.539 8.539 8.304 0.235 19340 7067 1 14 . 1 1 91 91 THR N N 91 114.681 114.681 115.899 -1.218 19340 7068 1 14 . 1 1 91 91 THR HA H 91 4.182 4.182 4.294 -0.112 19340 7069 1 14 . 1 1 91 91 THR CA C 91 64.750 64.750 64.122 0.628 19340 7070 1 14 . 1 1 91 91 THR CB C 91 69.055 69.055 68.730 0.325 19340 7071 1 14 . 1 1 91 91 THR H H 91 8.335 8.335 7.895 0.440 19340 7072 1 14 . 1 1 92 92 SER N N 92 114.236 114.236 116.296 -2.060 19340 7073 1 14 . 1 1 92 92 SER HA H 92 4.668 4.668 4.665 0.003 19340 7074 1 14 . 1 1 92 92 SER CA C 92 58.460 58.460 58.240 0.220 19340 7075 1 14 . 1 1 92 92 SER CB C 92 64.433 64.433 63.783 0.649 19340 7076 1 14 . 1 1 92 92 SER H H 92 7.642 7.642 7.616 0.026 19340 7077 1 14 . 1 1 93 93 ILE N N 93 122.128 122.128 123.221 -1.093 19340 7078 1 14 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.739 0.074 19340 7079 1 14 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.369 -0.239 19340 7080 1 14 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.272 0.927 19340 7081 1 14 . 1 1 93 93 ILE H H 93 7.276 7.276 7.193 0.083 19340 7082 1 14 . 1 1 94 94 GLY N N 94 108.426 108.426 107.155 1.271 19340 7083 1 14 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.167 -0.168 19340 7084 1 14 . 1 1 94 94 GLY H H 94 8.756 8.756 8.688 0.068 19340 7085 1 14 . 1 1 95 95 LEU N N 95 123.674 123.674 122.677 0.997 19340 7086 1 14 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.103 0.179 19340 7087 1 14 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.659 0.370 19340 7088 1 14 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.566 -0.304 19340 7089 1 14 . 1 1 95 95 LEU H H 95 7.568 7.568 7.469 0.099 19340 7090 1 14 . 1 1 96 96 THR N N 96 119.717 119.717 116.134 3.583 19340 7091 1 14 . 1 1 96 96 THR HA H 96 3.837 3.837 3.811 0.026 19340 7092 1 14 . 1 1 96 96 THR CA C 96 66.683 66.683 67.426 -0.743 19340 7093 1 14 . 1 1 96 96 THR CB C 96 67.969 67.969 68.504 -0.535 19340 7094 1 14 . 1 1 96 96 THR H H 96 8.430 8.430 8.664 -0.234 19340 7095 1 14 . 1 1 97 97 SER N N 97 117.285 117.285 116.515 0.770 19340 7096 1 14 . 1 1 97 97 SER HA H 97 4.094 4.094 4.111 -0.017 19340 7097 1 14 . 1 1 97 97 SER CA C 97 62.507 62.507 61.895 0.612 19340 7098 1 14 . 1 1 97 97 SER CB C 97 62.845 62.845 63.084 -0.239 19340 7099 1 14 . 1 1 97 97 SER H H 97 9.000 9.000 8.701 0.299 19340 7100 1 14 . 1 1 98 98 ASN N N 98 121.846 121.846 119.998 1.848 19340 7101 1 14 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.571 -0.183 19340 7102 1 14 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.603 1.279 19340 7103 1 14 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.555 0.279 19340 7104 1 14 . 1 1 98 98 ASN H H 98 7.939 7.939 7.720 0.219 19340 7105 1 14 . 1 1 99 99 SER N N 99 117.585 117.585 116.797 0.788 19340 7106 1 14 . 1 1 99 99 SER HA H 99 4.204 4.204 4.163 0.041 19340 7107 1 14 . 1 1 99 99 SER CA C 99 62.886 62.886 62.515 0.371 19340 7108 1 14 . 1 1 99 99 SER CB C 99 62.984 62.984 63.130 -0.146 19340 7109 1 14 . 1 1 99 99 SER H H 99 8.370 8.370 8.065 0.305 19340 7110 1 14 . 1 1 100 100 VAL N N 100 121.524 121.524 119.023 2.501 19340 7111 1 14 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.215 0.336 19340 7112 1 14 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.135 1.816 19340 7113 1 14 . 1 1 100 100 VAL CB C 100 31.654 31.654 30.248 1.406 19340 7114 1 14 . 1 1 100 100 VAL H H 100 8.565 8.565 8.074 0.491 19340 7115 1 14 . 1 1 101 101 SER N N 101 113.005 113.005 116.431 -3.426 19340 7116 1 14 . 1 1 101 101 SER HA H 101 3.875 3.875 4.112 -0.237 19340 7117 1 14 . 1 1 101 101 SER CA C 101 62.326 62.326 62.086 0.240 19340 7118 1 14 . 1 1 101 101 SER CB C 101 63.263 63.263 62.783 0.480 19340 7119 1 14 . 1 1 101 101 SER H H 101 8.272 8.272 7.727 0.545 19340 7120 1 14 . 1 1 102 102 LYS N N 102 119.357 119.357 121.267 -1.910 19340 7121 1 14 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.123 -0.103 19340 7122 1 14 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.029 0.570 19340 7123 1 14 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.423 0.720 19340 7124 1 14 . 1 1 102 102 LYS H H 102 7.953 7.953 7.648 0.305 19340 7125 1 14 . 1 1 103 103 ALA N N 103 120.882 120.882 122.955 -2.073 19340 7126 1 14 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.148 0.095 19340 7127 1 14 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.065 -0.478 19340 7128 1 14 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.602 2.025 19340 7129 1 14 . 1 1 103 103 ALA H H 103 8.049 8.049 8.261 -0.212 19340 7130 1 14 . 1 1 104 104 VAL N N 104 116.191 116.191 118.931 -2.740 19340 7131 1 14 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.633 -0.384 19340 7132 1 14 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.990 0.124 19340 7133 1 14 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.918 -0.904 19340 7134 1 14 . 1 1 104 104 VAL H H 104 8.572 8.572 8.470 0.102 19340 7135 1 14 . 1 1 105 105 ALA N N 105 121.884 121.884 120.523 1.361 19340 7136 1 14 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.267 -0.376 19340 7137 1 14 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.439 0.864 19340 7138 1 14 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.390 0.092 19340 7139 1 14 . 1 1 105 105 ALA H H 105 8.347 8.347 7.779 0.568 19340 7140 1 14 . 1 1 106 106 GLN N N 106 113.657 113.657 118.091 -4.434 19340 7141 1 14 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.116 -0.085 19340 7142 1 14 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.370 -0.022 19340 7143 1 14 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.080 6.167 19340 7144 1 14 . 1 1 106 106 GLN H H 106 7.838 7.838 7.933 -0.095 19340 7145 1 14 . 1 1 107 107 ALA N N 107 117.818 117.818 120.608 -2.790 19340 7146 1 14 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.368 -0.114 19340 7147 1 14 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.934 0.221 19340 7148 1 14 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.094 3.064 19340 7149 1 14 . 1 1 107 107 ALA H H 107 8.145 8.145 7.850 0.295 19340 7150 1 14 . 1 1 108 108 LEU N N 108 113.428 113.428 118.595 -5.167 19340 7151 1 14 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.249 0.173 19340 7152 1 14 . 1 1 108 108 LEU CA C 108 54.405 54.405 56.056 -1.651 19340 7153 1 14 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.416 0.239 19340 7154 1 14 . 1 1 108 108 LEU H H 108 8.341 8.341 8.074 0.267 19340 7155 1 15 . 1 1 2 2 SER N N 2 117.112 117.112 116.924 0.188 19340 7156 1 15 . 1 1 2 2 SER HA H 2 4.500 4.500 4.039 0.461 19340 7157 1 15 . 1 1 2 2 SER CA C 2 58.547 58.547 58.179 0.368 19340 7158 1 15 . 1 1 2 2 SER CB C 2 63.820 63.820 63.872 -0.052 19340 7159 1 15 . 1 1 2 2 SER H H 2 8.748 8.748 8.014 0.734 19340 7160 1 15 . 1 1 3 3 PHE N N 3 123.783 123.783 121.141 2.642 19340 7161 1 15 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.494 -0.273 19340 7162 1 15 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.391 2.700 19340 7163 1 15 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.283 0.584 19340 7164 1 15 . 1 1 3 3 PHE H H 3 8.398 8.398 8.494 -0.096 19340 7165 1 15 . 1 1 4 4 GLY N N 4 106.435 106.435 108.272 -1.837 19340 7166 1 15 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.516 0.703 19340 7167 1 15 . 1 1 4 4 GLY H H 4 8.699 8.699 8.317 0.382 19340 7168 1 15 . 1 1 5 5 LEU N N 5 121.041 121.041 121.042 -0.001 19340 7169 1 15 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.260 -0.129 19340 7170 1 15 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.297 0.309 19340 7171 1 15 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.353 0.438 19340 7172 1 15 . 1 1 5 5 LEU H H 5 7.590 7.590 7.730 -0.140 19340 7173 1 15 . 1 1 6 6 VAL N N 6 118.980 118.980 114.978 4.002 19340 7174 1 15 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.763 -0.062 19340 7175 1 15 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.492 0.276 19340 7176 1 15 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.698 0.625 19340 7177 1 15 . 1 1 6 6 VAL H H 6 7.630 7.630 7.571 0.059 19340 7178 1 15 . 1 1 7 7 LEU N N 7 120.127 120.127 116.868 3.259 19340 7179 1 15 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.170 0.090 19340 7180 1 15 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.656 0.415 19340 7181 1 15 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.497 0.294 19340 7182 1 15 . 1 1 7 7 LEU H H 7 8.171 8.171 7.482 0.689 19340 7183 1 15 . 1 1 8 8 ASN N N 8 114.592 114.592 115.642 -1.050 19340 7184 1 15 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.681 0.143 19340 7185 1 15 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.568 -0.845 19340 7186 1 15 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.112 0.229 19340 7187 1 15 . 1 1 8 8 ASN H H 8 7.602 7.602 7.351 0.251 19340 7188 1 15 . 1 1 9 9 SER N N 9 116.029 116.029 116.662 -0.633 19340 7189 1 15 . 1 1 9 9 SER HA H 9 4.690 4.690 4.513 0.177 19340 7190 1 15 . 1 1 9 9 SER CA C 9 56.675 56.675 57.778 -1.103 19340 7191 1 15 . 1 1 9 9 SER CB C 9 64.210 64.210 63.708 0.502 19340 7192 1 15 . 1 1 9 9 SER H H 9 7.186 7.186 7.810 -0.624 19340 7193 1 15 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.459 -0.020 19340 7194 1 15 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.502 0.204 19340 7195 1 15 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.069 -0.025 19340 7196 1 15 . 1 1 11 11 ASN N N 11 114.702 114.702 113.353 1.349 19340 7197 1 15 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.819 0.240 19340 7198 1 15 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.799 0.967 19340 7199 1 15 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.963 2.324 19340 7200 1 15 . 1 1 11 11 ASN H H 11 8.150 8.150 7.842 0.308 19340 7201 1 15 . 1 1 12 12 GLY N N 12 122.938 122.938 109.581 13.357 19340 7202 1 15 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.108 -1.987 19340 7203 1 15 . 1 1 12 12 GLY H H 12 7.324 7.324 7.720 -0.396 19340 7204 1 15 . 1 1 13 13 LEU N N 13 124.662 124.662 118.930 5.732 19340 7205 1 15 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.731 -1.002 19340 7206 1 15 . 1 1 13 13 LEU CA C 13 58.020 58.020 54.581 3.439 19340 7207 1 15 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.752 0.933 19340 7208 1 15 . 1 1 13 13 LEU H H 13 9.253 9.253 8.117 1.136 19340 7209 1 15 . 1 1 14 14 ARG N N 14 113.071 113.071 118.981 -5.910 19340 7210 1 15 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.175 0.113 19340 7211 1 15 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.173 -0.784 19340 7212 1 15 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.378 -0.339 19340 7213 1 15 . 1 1 14 14 ARG H H 14 8.168 8.168 8.033 0.135 19340 7214 1 15 . 1 1 15 15 SER N N 15 118.055 118.055 113.420 4.635 19340 7215 1 15 . 1 1 15 15 SER HA H 15 4.690 4.690 4.658 0.032 19340 7216 1 15 . 1 1 15 15 SER CA C 15 57.520 57.520 57.518 0.002 19340 7217 1 15 . 1 1 15 15 SER CB C 15 65.463 65.463 64.253 1.210 19340 7218 1 15 . 1 1 15 15 SER H H 15 8.264 8.264 7.768 0.496 19340 7219 1 15 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.322 0.055 19340 7220 1 15 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.999 0.355 19340 7221 1 15 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.942 -0.176 19340 7222 1 15 . 1 1 17 17 GLN N N 17 117.374 117.374 117.583 -0.209 19340 7223 1 15 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.085 0.030 19340 7224 1 15 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.742 0.528 19340 7225 1 15 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.251 0.643 19340 7226 1 15 . 1 1 17 17 GLN H H 17 8.661 8.661 8.794 -0.133 19340 7227 1 15 . 1 1 18 18 ALA N N 18 122.904 122.904 122.964 -0.060 19340 7228 1 15 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.126 -0.257 19340 7229 1 15 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.657 0.732 19340 7230 1 15 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.171 1.146 19340 7231 1 15 . 1 1 18 18 ALA H H 18 7.785 7.785 7.563 0.222 19340 7232 1 15 . 1 1 19 19 LYS N N 19 116.947 116.947 119.252 -2.305 19340 7233 1 15 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.030 -0.278 19340 7234 1 15 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.282 1.448 19340 7235 1 15 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.303 -0.704 19340 7236 1 15 . 1 1 19 19 LYS H H 19 7.410 7.410 7.518 -0.108 19340 7237 1 15 . 1 1 20 20 ALA N N 20 119.887 119.887 122.020 -2.133 19340 7238 1 15 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.033 0.138 19340 7239 1 15 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.047 -0.038 19340 7240 1 15 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.461 -0.174 19340 7241 1 15 . 1 1 20 20 ALA H H 20 7.362 7.362 7.648 -0.286 19340 7242 1 15 . 1 1 21 21 ARG N N 21 118.182 118.182 118.833 -0.651 19340 7243 1 15 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.032 0.016 19340 7244 1 15 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.271 1.321 19340 7245 1 15 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.309 1.707 19340 7246 1 15 . 1 1 21 21 ARG H H 21 7.502 7.502 7.566 -0.064 19340 7247 1 15 . 1 1 22 22 ILE N N 22 122.484 122.484 119.956 2.528 19340 7248 1 15 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.691 -0.146 19340 7249 1 15 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.383 0.627 19340 7250 1 15 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.543 0.461 19340 7251 1 15 . 1 1 22 22 ILE H H 22 9.258 9.258 8.103 1.155 19340 7252 1 15 . 1 1 23 23 ASN N N 23 119.721 119.721 118.793 0.928 19340 7253 1 15 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.329 -0.052 19340 7254 1 15 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.777 0.381 19340 7255 1 15 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.247 0.704 19340 7256 1 15 . 1 1 23 23 ASN H H 23 8.395 8.395 7.981 0.414 19340 7257 1 15 . 1 1 24 24 ASN N N 24 117.554 117.554 118.487 -0.933 19340 7258 1 15 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.512 -0.017 19340 7259 1 15 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.657 0.802 19340 7260 1 15 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.061 -0.107 19340 7261 1 15 . 1 1 24 24 ASN H H 24 8.002 8.002 7.694 0.308 19340 7262 1 15 . 1 1 25 25 LEU N N 25 123.367 123.367 122.037 1.330 19340 7263 1 15 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.131 0.023 19340 7264 1 15 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.537 -0.620 19340 7265 1 15 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.958 0.975 19340 7266 1 15 . 1 1 25 25 LEU H H 25 8.235 8.235 7.648 0.587 19340 7267 1 15 . 1 1 26 26 ALA N N 26 123.137 123.137 120.195 2.942 19340 7268 1 15 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.212 -0.343 19340 7269 1 15 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.829 0.879 19340 7270 1 15 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.178 -1.228 19340 7271 1 15 . 1 1 26 26 ALA H H 26 9.068 9.068 8.455 0.613 19340 7272 1 15 . 1 1 27 27 SER N N 27 113.809 113.809 113.124 0.685 19340 7273 1 15 . 1 1 27 27 SER HA H 27 4.182 4.182 4.469 -0.287 19340 7274 1 15 . 1 1 27 27 SER CA C 27 62.075 62.075 60.037 2.038 19340 7275 1 15 . 1 1 27 27 SER CB C 27 62.929 62.929 64.035 -1.107 19340 7276 1 15 . 1 1 27 27 SER H H 27 8.004 8.004 7.393 0.611 19340 7277 1 15 . 1 1 28 28 ALA N N 28 124.782 124.782 125.634 -0.852 19340 7278 1 15 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.064 0.140 19340 7279 1 15 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.169 0.091 19340 7280 1 15 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.438 -0.736 19340 7281 1 15 . 1 1 28 28 ALA H H 28 7.970 7.970 7.974 -0.004 19340 7282 1 15 . 1 1 29 29 LEU N N 29 117.907 117.907 117.850 0.057 19340 7283 1 15 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.875 -0.051 19340 7284 1 15 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.201 -0.206 19340 7285 1 15 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.459 1.067 19340 7286 1 15 . 1 1 29 29 LEU H H 29 8.960 8.960 8.725 0.235 19340 7287 1 15 . 1 1 30 30 SER N N 30 112.859 112.859 112.504 0.355 19340 7288 1 15 . 1 1 30 30 SER HA H 30 4.076 4.076 4.028 0.048 19340 7289 1 15 . 1 1 30 30 SER CA C 30 61.998 61.998 60.791 1.207 19340 7290 1 15 . 1 1 30 30 SER CB C 30 63.012 63.012 62.844 0.168 19340 7291 1 15 . 1 1 30 30 SER H H 30 7.951 7.951 7.991 -0.040 19340 7292 1 15 . 1 1 31 31 THR N N 31 109.820 109.820 116.370 -6.550 19340 7293 1 15 . 1 1 31 31 THR HA H 31 4.472 4.472 4.217 0.255 19340 7294 1 15 . 1 1 31 31 THR CA C 31 62.731 62.731 64.656 -1.925 19340 7295 1 15 . 1 1 31 31 THR CB C 31 69.362 69.362 69.087 0.275 19340 7296 1 15 . 1 1 31 31 THR H H 31 7.164 7.164 7.475 -0.311 19340 7297 1 15 . 1 1 32 32 ALA N N 32 122.926 122.926 122.738 0.188 19340 7298 1 15 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.348 0.079 19340 7299 1 15 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.581 -0.497 19340 7300 1 15 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.733 0.893 19340 7301 1 15 . 1 1 32 32 ALA H H 32 7.997 7.997 7.586 0.411 19340 7302 1 15 . 1 1 33 33 VAL N N 33 116.339 116.339 112.599 3.740 19340 7303 1 15 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.324 0.137 19340 7304 1 15 . 1 1 33 33 VAL CA C 33 61.601 61.601 61.264 0.337 19340 7305 1 15 . 1 1 33 33 VAL CB C 33 32.629 32.629 32.911 -0.282 19340 7306 1 15 . 1 1 33 33 VAL H H 33 7.550 7.550 7.704 -0.154 19340 7307 1 15 . 1 1 34 34 GLY N N 34 113.114 113.114 110.384 2.730 19340 7308 1 15 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.631 -0.362 19340 7309 1 15 . 1 1 34 34 GLY H H 34 7.886 7.886 7.931 -0.045 19340 7310 1 15 . 1 1 35 35 ARG N N 35 120.709 120.709 121.873 -1.164 19340 7311 1 15 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.323 0.060 19340 7312 1 15 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.634 0.266 19340 7313 1 15 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.780 0.092 19340 7314 1 15 . 1 1 35 35 ARG H H 35 8.773 8.773 8.563 0.210 19340 7315 1 15 . 1 1 36 36 ASN N N 36 114.578 114.578 116.313 -1.735 19340 7316 1 15 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.730 0.094 19340 7317 1 15 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.286 0.808 19340 7318 1 15 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.279 0.338 19340 7319 1 15 . 1 1 36 36 ASN H H 36 8.628 8.628 7.976 0.652 19340 7320 1 15 . 1 1 37 37 GLY N N 37 108.462 108.462 109.989 -1.527 19340 7321 1 15 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.918 -1.201 19340 7322 1 15 . 1 1 37 37 GLY H H 37 7.880 7.880 7.788 0.092 19340 7323 1 15 . 1 1 38 38 VAL N N 38 121.761 121.761 121.717 0.044 19340 7324 1 15 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.226 0.151 19340 7325 1 15 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.700 -0.634 19340 7326 1 15 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.003 -0.232 19340 7327 1 15 . 1 1 38 38 VAL H H 38 8.565 8.565 7.751 0.814 19340 7328 1 15 . 1 1 39 39 ASP N N 39 127.585 127.585 128.980 -1.395 19340 7329 1 15 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.872 -0.221 19340 7330 1 15 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.065 0.780 19340 7331 1 15 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.821 0.608 19340 7332 1 15 . 1 1 39 39 ASP H H 39 9.007 9.007 8.557 0.450 19340 7333 1 15 . 1 1 40 40 VAL N N 40 129.021 129.021 125.221 3.800 19340 7334 1 15 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.831 -0.336 19340 7335 1 15 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.424 1.975 19340 7336 1 15 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.533 0.818 19340 7337 1 15 . 1 1 40 40 VAL H H 40 8.632 8.632 8.243 0.389 19340 7338 1 15 . 1 1 41 41 ASN N N 41 122.301 122.301 118.587 3.714 19340 7339 1 15 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.437 0.013 19340 7340 1 15 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.783 0.228 19340 7341 1 15 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.297 -0.460 19340 7342 1 15 . 1 1 41 41 ASN H H 41 8.673 8.673 8.377 0.296 19340 7343 1 15 . 1 1 42 42 ALA N N 42 124.313 124.313 121.903 2.410 19340 7344 1 15 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.318 -0.120 19340 7345 1 15 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.248 0.623 19340 7346 1 15 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.699 -0.022 19340 7347 1 15 . 1 1 42 42 ALA H H 42 8.420 8.420 7.491 0.929 19340 7348 1 15 . 1 1 43 43 PHE N N 43 119.198 119.198 119.429 -0.231 19340 7349 1 15 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.267 0.216 19340 7350 1 15 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.087 -0.920 19340 7351 1 15 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.822 0.352 19340 7352 1 15 . 1 1 43 43 PHE H H 43 8.611 8.611 8.661 -0.050 19340 7353 1 15 . 1 1 44 44 THR N N 44 116.700 116.700 114.354 2.346 19340 7354 1 15 . 1 1 44 44 THR HA H 44 4.349 4.349 3.758 0.591 19340 7355 1 15 . 1 1 44 44 THR CA C 44 68.443 68.443 65.990 2.453 19340 7356 1 15 . 1 1 44 44 THR CB C 44 68.248 68.248 68.425 -0.177 19340 7357 1 15 . 1 1 44 44 THR H H 44 8.881 8.881 8.680 0.201 19340 7358 1 15 . 1 1 45 45 SER N N 45 116.018 116.018 116.331 -0.313 19340 7359 1 15 . 1 1 45 45 SER HA H 45 4.117 4.117 4.195 -0.078 19340 7360 1 15 . 1 1 45 45 SER CA C 45 62.507 62.507 61.529 0.978 19340 7361 1 15 . 1 1 45 45 SER CB C 45 62.706 62.706 62.363 0.343 19340 7362 1 15 . 1 1 45 45 SER H H 45 8.020 8.020 7.896 0.124 19340 7363 1 15 . 1 1 46 46 GLY N N 46 108.460 108.460 109.299 -0.839 19340 7364 1 15 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.478 0.628 19340 7365 1 15 . 1 1 46 46 GLY H H 46 7.871 7.871 7.568 0.303 19340 7366 1 15 . 1 1 47 47 LEU N N 47 123.148 123.148 121.693 1.455 19340 7367 1 15 . 1 1 47 47 LEU HA H 47 3.830 3.830 4.012 -0.182 19340 7368 1 15 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.214 1.126 19340 7369 1 15 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.317 1.115 19340 7370 1 15 . 1 1 47 47 LEU H H 47 8.221 8.221 7.277 0.944 19340 7371 1 15 . 1 1 48 48 ARG N N 48 118.694 118.694 119.188 -0.494 19340 7372 1 15 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.947 -0.100 19340 7373 1 15 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.860 0.378 19340 7374 1 15 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.808 0.537 19340 7375 1 15 . 1 1 48 48 ARG H H 48 8.646 8.646 8.372 0.274 19340 7376 1 15 . 1 1 49 49 ALA N N 49 122.114 122.114 120.392 1.722 19340 7377 1 15 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.246 -0.087 19340 7378 1 15 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.898 0.310 19340 7379 1 15 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.145 -0.053 19340 7380 1 15 . 1 1 49 49 ALA H H 49 8.078 8.078 7.628 0.450 19340 7381 1 15 . 1 1 50 50 THR N N 50 115.708 115.708 116.854 -1.146 19340 7382 1 15 . 1 1 50 50 THR HA H 50 3.696 3.696 4.030 -0.334 19340 7383 1 15 . 1 1 50 50 THR CA C 50 67.692 67.692 67.027 0.665 19340 7384 1 15 . 1 1 50 50 THR CB C 50 68.599 68.599 68.969 -0.370 19340 7385 1 15 . 1 1 50 50 THR H H 50 7.577 7.577 7.506 0.071 19340 7386 1 15 . 1 1 51 51 LEU N N 51 121.108 121.108 122.959 -1.851 19340 7387 1 15 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.107 -0.316 19340 7388 1 15 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.757 0.496 19340 7389 1 15 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.876 1.111 19340 7390 1 15 . 1 1 51 51 LEU H H 51 8.014 8.014 8.786 -0.772 19340 7391 1 15 . 1 1 52 52 SER N N 52 115.122 115.122 114.072 1.050 19340 7392 1 15 . 1 1 52 52 SER HA H 52 4.154 4.154 4.103 0.051 19340 7393 1 15 . 1 1 52 52 SER CA C 52 61.765 61.765 61.404 0.361 19340 7394 1 15 . 1 1 52 52 SER CB C 52 62.901 62.901 62.823 0.078 19340 7395 1 15 . 1 1 52 52 SER H H 52 8.442 8.442 7.922 0.520 19340 7396 1 15 . 1 1 53 53 ASN N N 53 119.438 119.438 119.910 -0.472 19340 7397 1 15 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.509 0.131 19340 7398 1 15 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.234 -0.241 19340 7399 1 15 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.823 0.685 19340 7400 1 15 . 1 1 53 53 ASN H H 53 7.705 7.705 7.818 -0.113 19340 7401 1 15 . 1 1 54 54 LEU N N 54 120.042 120.042 120.725 -0.683 19340 7402 1 15 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.192 0.001 19340 7403 1 15 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.334 -0.219 19340 7404 1 15 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.978 1.011 19340 7405 1 15 . 1 1 54 54 LEU H H 54 7.811 7.811 8.671 -0.860 19340 7406 1 15 . 1 1 55 55 GLY N N 55 109.450 109.450 105.542 3.908 19340 7407 1 15 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.367 1.309 19340 7408 1 15 . 1 1 55 55 GLY H H 55 8.074 8.074 8.148 -0.074 19340 7409 1 15 . 1 1 56 56 ASP N N 56 121.016 121.016 118.212 2.804 19340 7410 1 15 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.800 -0.043 19340 7411 1 15 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.576 1.235 19340 7412 1 15 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.396 -0.858 19340 7413 1 15 . 1 1 56 56 ASP H H 56 8.144 8.144 7.454 0.690 19340 7414 1 15 . 1 1 57 57 SER N N 57 113.978 113.978 115.085 -1.107 19340 7415 1 15 . 1 1 57 57 SER HA H 57 4.305 4.305 4.392 -0.087 19340 7416 1 15 . 1 1 57 57 SER CA C 57 60.031 60.031 59.998 0.033 19340 7417 1 15 . 1 1 57 57 SER CB C 57 65.212 65.212 64.273 0.939 19340 7418 1 15 . 1 1 57 57 SER H H 57 7.742 7.742 7.879 -0.137 19340 7419 1 15 . 1 1 58 58 GLY N N 58 110.315 110.315 107.712 2.603 19340 7420 1 15 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.929 0.760 19340 7421 1 15 . 1 1 58 58 GLY H H 58 8.306 8.306 7.854 0.452 19340 7422 1 15 . 1 1 59 59 MET N N 59 120.024 120.024 116.576 3.448 19340 7423 1 15 . 1 1 59 59 MET HA H 59 4.416 4.416 4.831 -0.415 19340 7424 1 15 . 1 1 59 59 MET CA C 59 56.597 56.597 54.827 1.770 19340 7425 1 15 . 1 1 59 59 MET CB C 59 34.328 34.328 34.252 0.076 19340 7426 1 15 . 1 1 59 59 MET H H 59 7.686 7.686 7.342 0.344 19340 7427 1 15 . 1 1 60 60 SER N N 60 122.795 122.795 114.211 8.584 19340 7428 1 15 . 1 1 60 60 SER HA H 60 4.601 4.601 4.782 -0.181 19340 7429 1 15 . 1 1 60 60 SER CA C 60 57.598 57.598 54.797 2.801 19340 7430 1 15 . 1 1 60 60 SER CB C 60 62.511 62.511 65.115 -2.604 19340 7431 1 15 . 1 1 60 60 SER H H 60 9.088 9.088 8.343 0.745 19340 7432 1 15 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.480 -0.265 19340 7433 1 15 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.263 2.360 19340 7434 1 15 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.864 0.097 19340 7435 1 15 . 1 1 62 62 ASN N N 62 113.170 113.170 116.835 -3.665 19340 7436 1 15 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.687 -0.310 19340 7437 1 15 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.789 1.627 19340 7438 1 15 . 1 1 62 62 ASN CB C 62 38.004 38.004 40.012 -2.008 19340 7439 1 15 . 1 1 62 62 ASN H H 62 8.389 8.389 8.477 -0.088 19340 7440 1 15 . 1 1 63 63 GLU N N 63 120.222 120.222 120.603 -0.381 19340 7441 1 15 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.179 -0.427 19340 7442 1 15 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.529 1.139 19340 7443 1 15 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.228 8.609 19340 7444 1 15 . 1 1 63 63 GLU H H 63 7.428 7.428 7.552 -0.124 19340 7445 1 15 . 1 1 64 64 ALA N N 64 120.568 120.568 122.149 -1.581 19340 7446 1 15 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.060 0.016 19340 7447 1 15 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.429 -0.610 19340 7448 1 15 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.542 -0.200 19340 7449 1 15 . 1 1 64 64 ALA H H 64 8.640 8.640 7.826 0.814 19340 7450 1 15 . 1 1 65 65 LYS N N 65 115.104 115.104 116.767 -1.663 19340 7451 1 15 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.000 -0.377 19340 7452 1 15 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.188 1.688 19340 7453 1 15 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.168 0.684 19340 7454 1 15 . 1 1 65 65 LYS H H 65 7.472 7.472 8.278 -0.806 19340 7455 1 15 . 1 1 66 66 VAL N N 66 116.911 116.911 119.184 -2.273 19340 7456 1 15 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.990 -0.439 19340 7457 1 15 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.374 2.930 19340 7458 1 15 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.082 -0.539 19340 7459 1 15 . 1 1 66 66 VAL H H 66 7.045 7.045 7.259 -0.214 19340 7460 1 15 . 1 1 67 67 GLU N N 67 120.755 120.755 119.869 0.886 19340 7461 1 15 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.079 -0.037 19340 7462 1 15 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.957 -1.548 19340 7463 1 15 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.781 3.154 19340 7464 1 15 . 1 1 67 67 GLU H H 67 8.439 8.439 8.680 -0.241 19340 7465 1 15 . 1 1 68 68 VAL N N 68 119.280 119.280 115.565 3.715 19340 7466 1 15 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.711 -0.356 19340 7467 1 15 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.977 1.456 19340 7468 1 15 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.293 -0.641 19340 7469 1 15 . 1 1 68 68 VAL H H 68 8.473 8.473 7.974 0.499 19340 7470 1 15 . 1 1 69 69 LEU N N 69 117.578 117.578 119.331 -1.753 19340 7471 1 15 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.989 -0.031 19340 7472 1 15 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.449 0.908 19340 7473 1 15 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.376 0.722 19340 7474 1 15 . 1 1 69 69 LEU H H 69 7.292 7.292 7.670 -0.378 19340 7475 1 15 . 1 1 70 70 LEU N N 70 118.482 118.482 118.972 -0.490 19340 7476 1 15 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.936 0.045 19340 7477 1 15 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.887 0.487 19340 7478 1 15 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.893 0.288 19340 7479 1 15 . 1 1 70 70 LEU H H 70 8.237 8.237 7.517 0.720 19340 7480 1 15 . 1 1 71 71 GLU N N 71 123.582 123.582 119.694 3.888 19340 7481 1 15 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.958 -0.234 19340 7482 1 15 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.814 1.269 19340 7483 1 15 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.609 7.699 19340 7484 1 15 . 1 1 71 71 GLU H H 71 8.915 8.915 7.856 1.059 19340 7485 1 15 . 1 1 72 72 ALA N N 72 123.321 123.321 121.668 1.653 19340 7486 1 15 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.175 -0.111 19340 7487 1 15 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.108 0.591 19340 7488 1 15 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.767 -0.926 19340 7489 1 15 . 1 1 72 72 ALA H H 72 8.994 8.994 8.252 0.742 19340 7490 1 15 . 1 1 73 73 LEU N N 73 118.574 118.574 119.311 -0.737 19340 7491 1 15 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.018 -0.060 19340 7492 1 15 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.688 0.548 19340 7493 1 15 . 1 1 73 73 LEU CB C 73 42.348 42.348 42.091 0.257 19340 7494 1 15 . 1 1 73 73 LEU H H 73 8.544 8.544 7.579 0.965 19340 7495 1 15 . 1 1 74 74 THR N N 74 115.785 115.785 115.848 -0.063 19340 7496 1 15 . 1 1 74 74 THR HA H 74 3.578 3.578 3.856 -0.278 19340 7497 1 15 . 1 1 74 74 THR CA C 74 68.727 68.727 67.330 1.397 19340 7498 1 15 . 1 1 74 74 THR CB C 74 67.691 67.691 68.529 -0.838 19340 7499 1 15 . 1 1 74 74 THR H H 74 8.137 8.137 8.190 -0.053 19340 7500 1 15 . 1 1 75 75 ALA N N 75 123.543 123.543 122.728 0.815 19340 7501 1 15 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.049 -0.353 19340 7502 1 15 . 1 1 75 75 ALA CA C 75 55.562 55.562 55.065 0.497 19340 7503 1 15 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.276 1.097 19340 7504 1 15 . 1 1 75 75 ALA H H 75 8.585 8.585 7.663 0.922 19340 7505 1 15 . 1 1 76 76 ALA N N 76 118.729 118.729 120.947 -2.218 19340 7506 1 15 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.041 -0.267 19340 7507 1 15 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.363 1.078 19340 7508 1 15 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.677 -0.529 19340 7509 1 15 . 1 1 76 76 ALA H H 76 8.199 8.199 7.222 0.977 19340 7510 1 15 . 1 1 77 77 LEU N N 77 117.321 117.321 119.186 -1.865 19340 7511 1 15 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.839 0.036 19340 7512 1 15 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.717 0.485 19340 7513 1 15 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.770 -1.148 19340 7514 1 15 . 1 1 77 77 LEU H H 77 8.265 8.265 8.770 -0.505 19340 7515 1 15 . 1 1 78 78 GLN N N 78 121.687 121.687 117.912 3.775 19340 7516 1 15 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.064 -0.251 19340 7517 1 15 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.173 0.460 19340 7518 1 15 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.098 4.341 19340 7519 1 15 . 1 1 78 78 GLN H H 78 8.776 8.776 8.057 0.719 19340 7520 1 15 . 1 1 79 79 LEU N N 79 120.042 120.042 120.468 -0.426 19340 7521 1 15 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.183 -0.175 19340 7522 1 15 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.281 0.455 19340 7523 1 15 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.162 0.381 19340 7524 1 15 . 1 1 79 79 LEU H H 79 7.990 7.990 7.316 0.674 19340 7525 1 15 . 1 1 80 80 LEU N N 80 122.157 122.157 120.146 2.011 19340 7526 1 15 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.017 -0.193 19340 7527 1 15 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.377 0.712 19340 7528 1 15 . 1 1 80 80 LEU CB C 80 42.404 42.404 40.148 2.256 19340 7529 1 15 . 1 1 80 80 LEU H H 80 8.454 8.454 8.664 -0.210 19340 7530 1 15 . 1 1 81 81 SER N N 81 114.179 114.179 112.861 1.318 19340 7531 1 15 . 1 1 81 81 SER HA H 81 3.897 3.897 4.238 -0.341 19340 7532 1 15 . 1 1 81 81 SER CA C 81 61.756 61.756 60.146 1.610 19340 7533 1 15 . 1 1 81 81 SER CB C 81 63.486 63.486 63.172 0.314 19340 7534 1 15 . 1 1 81 81 SER H H 81 8.006 8.006 8.089 -0.083 19340 7535 1 15 . 1 1 82 82 SER N N 82 113.392 113.392 114.637 -1.245 19340 7536 1 15 . 1 1 82 82 SER HA H 82 4.718 4.718 4.702 0.016 19340 7537 1 15 . 1 1 82 82 SER CA C 82 57.718 57.718 58.201 -0.483 19340 7538 1 15 . 1 1 82 82 SER CB C 82 64.377 64.377 64.191 0.186 19340 7539 1 15 . 1 1 82 82 SER H H 82 7.160 7.160 7.884 -0.724 19340 7540 1 15 . 1 1 83 83 SER N N 83 117.607 117.607 118.239 -0.632 19340 7541 1 15 . 1 1 83 83 SER HA H 83 4.885 4.885 4.585 0.300 19340 7542 1 15 . 1 1 83 83 SER CA C 83 59.263 59.263 57.888 1.375 19340 7543 1 15 . 1 1 83 83 SER CB C 83 65.352 65.352 64.743 0.609 19340 7544 1 15 . 1 1 83 83 SER H H 83 7.369 7.369 7.678 -0.309 19340 7545 1 15 . 1 1 84 84 THR N N 84 117.656 117.656 114.336 3.320 19340 7546 1 15 . 1 1 84 84 THR HA H 84 4.545 4.545 4.468 0.077 19340 7547 1 15 . 1 1 84 84 THR CA C 84 62.006 62.006 62.708 -0.702 19340 7548 1 15 . 1 1 84 84 THR CB C 84 69.724 69.724 69.169 0.555 19340 7549 1 15 . 1 1 84 84 THR H H 84 8.488 8.488 8.170 0.318 19340 7550 1 15 . 1 1 85 85 LEU N N 85 130.429 130.429 119.015 11.414 19340 7551 1 15 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.082 0.206 19340 7552 1 15 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.332 0.963 19340 7553 1 15 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.240 2.150 19340 7554 1 15 . 1 1 85 85 LEU H H 85 8.878 8.878 7.703 1.175 19340 7555 1 15 . 1 1 86 86 GLY N N 86 112.150 112.150 107.243 4.907 19340 7556 1 15 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.495 -1.693 19340 7557 1 15 . 1 1 86 86 GLY H H 86 7.901 7.901 8.828 -0.927 19340 7558 1 15 . 1 1 87 87 ALA N N 87 122.559 122.559 123.006 -0.447 19340 7559 1 15 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.460 -0.176 19340 7560 1 15 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.490 -0.535 19340 7561 1 15 . 1 1 87 87 ALA CB C 87 19.345 19.345 20.736 -1.391 19340 7562 1 15 . 1 1 87 87 ALA H H 87 8.113 8.113 7.697 0.416 19340 7563 1 15 . 1 1 88 88 VAL N N 88 122.375 122.375 122.486 -0.111 19340 7564 1 15 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.303 -0.496 19340 7565 1 15 . 1 1 88 88 VAL CA C 88 62.964 62.964 60.872 2.092 19340 7566 1 15 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.625 0.004 19340 7567 1 15 . 1 1 88 88 VAL H H 88 8.447 8.447 8.267 0.180 19340 7568 1 15 . 1 1 89 89 ASP N N 89 127.408 127.408 130.281 -2.873 19340 7569 1 15 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.686 0.172 19340 7570 1 15 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.126 -1.524 19340 7571 1 15 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.366 1.451 19340 7572 1 15 . 1 1 89 89 ASP H H 89 8.570 8.570 9.043 -0.473 19340 7573 1 15 . 1 1 90 90 THR N N 90 116.481 116.481 113.081 3.400 19340 7574 1 15 . 1 1 90 90 THR HA H 90 3.953 3.953 4.112 -0.159 19340 7575 1 15 . 1 1 90 90 THR CA C 90 63.879 63.879 64.869 -0.990 19340 7576 1 15 . 1 1 90 90 THR CB C 90 68.833 68.833 68.896 -0.063 19340 7577 1 15 . 1 1 90 90 THR H H 90 8.539 8.539 8.432 0.107 19340 7578 1 15 . 1 1 91 91 THR N N 91 114.681 114.681 116.590 -1.909 19340 7579 1 15 . 1 1 91 91 THR HA H 91 4.182 4.182 4.338 -0.156 19340 7580 1 15 . 1 1 91 91 THR CA C 91 64.750 64.750 64.167 0.583 19340 7581 1 15 . 1 1 91 91 THR CB C 91 69.055 69.055 68.596 0.459 19340 7582 1 15 . 1 1 91 91 THR H H 91 8.335 8.335 8.301 0.034 19340 7583 1 15 . 1 1 92 92 SER N N 92 114.236 114.236 116.118 -1.882 19340 7584 1 15 . 1 1 92 92 SER HA H 92 4.668 4.668 4.710 -0.042 19340 7585 1 15 . 1 1 92 92 SER CA C 92 58.460 58.460 58.944 -0.484 19340 7586 1 15 . 1 1 92 92 SER CB C 92 64.433 64.433 63.962 0.471 19340 7587 1 15 . 1 1 92 92 SER H H 92 7.642 7.642 7.937 -0.295 19340 7588 1 15 . 1 1 93 93 ILE N N 93 122.128 122.128 122.848 -0.720 19340 7589 1 15 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.796 0.017 19340 7590 1 15 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.227 -0.097 19340 7591 1 15 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.119 1.080 19340 7592 1 15 . 1 1 93 93 ILE H H 93 7.276 7.276 7.158 0.118 19340 7593 1 15 . 1 1 94 94 GLY N N 94 108.426 108.426 107.157 1.269 19340 7594 1 15 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.162 -0.163 19340 7595 1 15 . 1 1 94 94 GLY H H 94 8.756 8.756 8.707 0.049 19340 7596 1 15 . 1 1 95 95 LEU N N 95 123.674 123.674 122.398 1.276 19340 7597 1 15 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.172 0.110 19340 7598 1 15 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.657 0.371 19340 7599 1 15 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.825 -0.563 19340 7600 1 15 . 1 1 95 95 LEU H H 95 7.568 7.568 7.575 -0.007 19340 7601 1 15 . 1 1 96 96 THR N N 96 119.717 119.717 117.077 2.640 19340 7602 1 15 . 1 1 96 96 THR HA H 96 3.837 3.837 3.915 -0.078 19340 7603 1 15 . 1 1 96 96 THR CA C 96 66.683 66.683 67.531 -0.848 19340 7604 1 15 . 1 1 96 96 THR CB C 96 67.969 67.969 68.423 -0.454 19340 7605 1 15 . 1 1 96 96 THR H H 96 8.430 8.430 8.439 -0.009 19340 7606 1 15 . 1 1 97 97 SER N N 97 117.285 117.285 116.789 0.496 19340 7607 1 15 . 1 1 97 97 SER HA H 97 4.094 4.094 4.149 -0.055 19340 7608 1 15 . 1 1 97 97 SER CA C 97 62.507 62.507 62.335 0.172 19340 7609 1 15 . 1 1 97 97 SER CB C 97 62.845 62.845 63.108 -0.263 19340 7610 1 15 . 1 1 97 97 SER H H 97 9.000 9.000 8.776 0.224 19340 7611 1 15 . 1 1 98 98 ASN N N 98 121.846 121.846 119.192 2.654 19340 7612 1 15 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.613 -0.225 19340 7613 1 15 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.539 1.343 19340 7614 1 15 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.766 0.068 19340 7615 1 15 . 1 1 98 98 ASN H H 98 7.939 7.939 7.717 0.222 19340 7616 1 15 . 1 1 99 99 SER N N 99 117.585 117.585 116.589 0.996 19340 7617 1 15 . 1 1 99 99 SER HA H 99 4.204 4.204 4.294 -0.090 19340 7618 1 15 . 1 1 99 99 SER CA C 99 62.886 62.886 62.018 0.868 19340 7619 1 15 . 1 1 99 99 SER CB C 99 62.984 62.984 63.344 -0.360 19340 7620 1 15 . 1 1 99 99 SER H H 99 8.370 8.370 8.077 0.293 19340 7621 1 15 . 1 1 100 100 VAL N N 100 121.524 121.524 119.496 2.028 19340 7622 1 15 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.933 -0.382 19340 7623 1 15 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.787 1.165 19340 7624 1 15 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.359 0.295 19340 7625 1 15 . 1 1 100 100 VAL H H 100 8.565 8.565 8.596 -0.031 19340 7626 1 15 . 1 1 101 101 SER N N 101 113.005 113.005 115.747 -2.742 19340 7627 1 15 . 1 1 101 101 SER HA H 101 3.875 3.875 4.136 -0.261 19340 7628 1 15 . 1 1 101 101 SER CA C 101 62.326 62.326 61.723 0.603 19340 7629 1 15 . 1 1 101 101 SER CB C 101 63.263 63.263 62.760 0.503 19340 7630 1 15 . 1 1 101 101 SER H H 101 8.272 8.272 7.775 0.497 19340 7631 1 15 . 1 1 102 102 LYS N N 102 119.357 119.357 121.186 -1.829 19340 7632 1 15 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.123 -0.103 19340 7633 1 15 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.033 0.566 19340 7634 1 15 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.453 0.690 19340 7635 1 15 . 1 1 102 102 LYS H H 102 7.953 7.953 7.694 0.259 19340 7636 1 15 . 1 1 103 103 ALA N N 103 120.882 120.882 122.961 -2.079 19340 7637 1 15 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.990 0.253 19340 7638 1 15 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.910 -0.323 19340 7639 1 15 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.272 2.354 19340 7640 1 15 . 1 1 103 103 ALA H H 103 8.049 8.049 8.334 -0.285 19340 7641 1 15 . 1 1 104 104 VAL N N 104 116.191 116.191 118.646 -2.455 19340 7642 1 15 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.377 -0.128 19340 7643 1 15 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.774 0.340 19340 7644 1 15 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.788 -0.774 19340 7645 1 15 . 1 1 104 104 VAL H H 104 8.572 8.572 8.103 0.469 19340 7646 1 15 . 1 1 105 105 ALA N N 105 121.884 121.884 120.432 1.452 19340 7647 1 15 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.219 -0.328 19340 7648 1 15 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.386 0.917 19340 7649 1 15 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.360 0.122 19340 7650 1 15 . 1 1 105 105 ALA H H 105 8.347 8.347 7.674 0.673 19340 7651 1 15 . 1 1 106 106 GLN N N 106 113.657 113.657 118.813 -5.156 19340 7652 1 15 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.156 -0.125 19340 7653 1 15 . 1 1 106 106 GLN CA C 106 58.348 58.348 57.908 0.440 19340 7654 1 15 . 1 1 106 106 GLN CB C 106 35.247 35.247 28.924 6.323 19340 7655 1 15 . 1 1 106 106 GLN H H 106 7.838 7.838 7.859 -0.021 19340 7656 1 15 . 1 1 107 107 ALA N N 107 117.818 117.818 120.545 -2.727 19340 7657 1 15 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.399 -0.145 19340 7658 1 15 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.722 0.433 19340 7659 1 15 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.409 2.749 19340 7660 1 15 . 1 1 107 107 ALA H H 107 8.145 8.145 7.757 0.388 19340 7661 1 15 . 1 1 108 108 LEU N N 108 113.428 113.428 118.550 -5.122 19340 7662 1 15 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.216 0.206 19340 7663 1 15 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.972 -1.567 19340 7664 1 15 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.376 0.279 19340 7665 1 15 . 1 1 108 108 LEU H H 108 8.341 8.341 7.990 0.351 19340 7666 1 16 . 1 1 2 2 SER N N 2 117.112 117.112 116.220 0.892 19340 7667 1 16 . 1 1 2 2 SER HA H 2 4.500 4.500 4.054 0.446 19340 7668 1 16 . 1 1 2 2 SER CA C 2 58.547 58.547 57.887 0.660 19340 7669 1 16 . 1 1 2 2 SER CB C 2 63.820 63.820 64.224 -0.404 19340 7670 1 16 . 1 1 2 2 SER H H 2 8.748 8.748 8.006 0.742 19340 7671 1 16 . 1 1 3 3 PHE N N 3 123.783 123.783 122.605 1.178 19340 7672 1 16 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.437 -0.216 19340 7673 1 16 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.297 1.794 19340 7674 1 16 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.550 0.318 19340 7675 1 16 . 1 1 3 3 PHE H H 3 8.398 8.398 8.540 -0.142 19340 7676 1 16 . 1 1 4 4 GLY N N 4 106.435 106.435 108.026 -1.591 19340 7677 1 16 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.878 0.341 19340 7678 1 16 . 1 1 4 4 GLY H H 4 8.699 8.699 8.429 0.270 19340 7679 1 16 . 1 1 5 5 LEU N N 5 121.041 121.041 119.623 1.418 19340 7680 1 16 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.296 -0.165 19340 7681 1 16 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.434 0.172 19340 7682 1 16 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.668 0.123 19340 7683 1 16 . 1 1 5 5 LEU H H 5 7.590 7.590 7.320 0.270 19340 7684 1 16 . 1 1 6 6 VAL N N 6 118.980 118.980 114.786 4.194 19340 7685 1 16 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.776 -0.075 19340 7686 1 16 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.853 -0.085 19340 7687 1 16 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.689 0.634 19340 7688 1 16 . 1 1 6 6 VAL H H 6 7.630 7.630 7.597 0.033 19340 7689 1 16 . 1 1 7 7 LEU N N 7 120.127 120.127 117.230 2.897 19340 7690 1 16 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.227 0.033 19340 7691 1 16 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.465 0.606 19340 7692 1 16 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.645 0.146 19340 7693 1 16 . 1 1 7 7 LEU H H 7 8.171 8.171 7.504 0.667 19340 7694 1 16 . 1 1 8 8 ASN N N 8 114.592 114.592 115.884 -1.292 19340 7695 1 16 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.704 0.120 19340 7696 1 16 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.257 -0.534 19340 7697 1 16 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.437 -0.096 19340 7698 1 16 . 1 1 8 8 ASN H H 8 7.602 7.602 7.569 0.033 19340 7699 1 16 . 1 1 9 9 SER N N 9 116.029 116.029 117.013 -0.984 19340 7700 1 16 . 1 1 9 9 SER HA H 9 4.690 4.690 4.495 0.195 19340 7701 1 16 . 1 1 9 9 SER CA C 9 56.675 56.675 57.839 -1.164 19340 7702 1 16 . 1 1 9 9 SER CB C 9 64.210 64.210 63.641 0.569 19340 7703 1 16 . 1 1 9 9 SER H H 9 7.186 7.186 7.734 -0.548 19340 7704 1 16 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.385 0.054 19340 7705 1 16 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.465 0.242 19340 7706 1 16 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.096 -0.052 19340 7707 1 16 . 1 1 11 11 ASN N N 11 114.702 114.702 114.672 0.030 19340 7708 1 16 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.845 0.214 19340 7709 1 16 . 1 1 11 11 ASN CA C 11 52.766 52.766 52.627 0.139 19340 7710 1 16 . 1 1 11 11 ASN CB C 11 40.287 40.287 39.272 1.015 19340 7711 1 16 . 1 1 11 11 ASN H H 11 8.150 8.150 7.966 0.184 19340 7712 1 16 . 1 1 12 12 GLY N N 12 122.938 122.938 109.860 13.078 19340 7713 1 16 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.427 -1.306 19340 7714 1 16 . 1 1 12 12 GLY H H 12 7.324 7.324 7.645 -0.321 19340 7715 1 16 . 1 1 13 13 LEU N N 13 124.662 124.662 119.407 5.255 19340 7716 1 16 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.516 -0.787 19340 7717 1 16 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.252 2.768 19340 7718 1 16 . 1 1 13 13 LEU CB C 13 43.685 43.685 41.965 1.720 19340 7719 1 16 . 1 1 13 13 LEU H H 13 9.253 9.253 8.368 0.885 19340 7720 1 16 . 1 1 14 14 ARG N N 14 113.071 113.071 118.326 -5.255 19340 7721 1 16 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.194 0.094 19340 7722 1 16 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.216 -0.826 19340 7723 1 16 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.282 -0.243 19340 7724 1 16 . 1 1 14 14 ARG H H 14 8.168 8.168 8.052 0.116 19340 7725 1 16 . 1 1 15 15 SER N N 15 118.055 118.055 113.536 4.519 19340 7726 1 16 . 1 1 15 15 SER HA H 15 4.690 4.690 4.708 -0.018 19340 7727 1 16 . 1 1 15 15 SER CA C 15 57.520 57.520 57.767 -0.247 19340 7728 1 16 . 1 1 15 15 SER CB C 15 65.463 65.463 64.275 1.188 19340 7729 1 16 . 1 1 15 15 SER H H 15 8.264 8.264 7.676 0.588 19340 7730 1 16 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.283 0.094 19340 7731 1 16 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.154 0.200 19340 7732 1 16 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.929 -0.163 19340 7733 1 16 . 1 1 17 17 GLN N N 17 117.374 117.374 118.799 -1.425 19340 7734 1 16 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.103 0.012 19340 7735 1 16 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.514 0.757 19340 7736 1 16 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.160 0.734 19340 7737 1 16 . 1 1 17 17 GLN H H 17 8.661 8.661 8.713 -0.052 19340 7738 1 16 . 1 1 18 18 ALA N N 18 122.904 122.904 122.997 -0.093 19340 7739 1 16 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.308 -0.439 19340 7740 1 16 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.839 0.550 19340 7741 1 16 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.310 1.007 19340 7742 1 16 . 1 1 18 18 ALA H H 18 7.785 7.785 8.249 -0.464 19340 7743 1 16 . 1 1 19 19 LYS N N 19 116.947 116.947 119.289 -2.342 19340 7744 1 16 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.076 -0.324 19340 7745 1 16 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.021 1.709 19340 7746 1 16 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.099 -0.500 19340 7747 1 16 . 1 1 19 19 LYS H H 19 7.410 7.410 7.419 -0.009 19340 7748 1 16 . 1 1 20 20 ALA N N 20 119.887 119.887 122.034 -2.147 19340 7749 1 16 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.120 0.051 19340 7750 1 16 . 1 1 20 20 ALA CA C 20 55.009 55.009 54.881 0.128 19340 7751 1 16 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.207 0.080 19340 7752 1 16 . 1 1 20 20 ALA H H 20 7.362 7.362 7.817 -0.455 19340 7753 1 16 . 1 1 21 21 ARG N N 21 118.182 118.182 118.795 -0.613 19340 7754 1 16 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.047 0.001 19340 7755 1 16 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.193 1.399 19340 7756 1 16 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.296 1.720 19340 7757 1 16 . 1 1 21 21 ARG H H 21 7.502 7.502 7.724 -0.222 19340 7758 1 16 . 1 1 22 22 ILE N N 22 122.484 122.484 119.902 2.582 19340 7759 1 16 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.715 -0.170 19340 7760 1 16 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.167 0.843 19340 7761 1 16 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.652 0.352 19340 7762 1 16 . 1 1 22 22 ILE H H 22 9.258 9.258 8.011 1.247 19340 7763 1 16 . 1 1 23 23 ASN N N 23 119.721 119.721 119.196 0.525 19340 7764 1 16 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.332 -0.055 19340 7765 1 16 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.860 0.298 19340 7766 1 16 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.345 0.606 19340 7767 1 16 . 1 1 23 23 ASN H H 23 8.395 8.395 7.869 0.526 19340 7768 1 16 . 1 1 24 24 ASN N N 24 117.554 117.554 118.168 -0.614 19340 7769 1 16 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.513 -0.018 19340 7770 1 16 . 1 1 24 24 ASN CA C 24 56.459 56.459 56.251 0.208 19340 7771 1 16 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.545 -0.591 19340 7772 1 16 . 1 1 24 24 ASN H H 24 8.002 8.002 7.716 0.286 19340 7773 1 16 . 1 1 25 25 LEU N N 25 123.367 123.367 121.276 2.091 19340 7774 1 16 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.108 0.046 19340 7775 1 16 . 1 1 25 25 LEU CA C 25 57.917 57.917 57.962 -0.045 19340 7776 1 16 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.847 1.086 19340 7777 1 16 . 1 1 25 25 LEU H H 25 8.235 8.235 7.381 0.854 19340 7778 1 16 . 1 1 26 26 ALA N N 26 123.137 123.137 120.238 2.899 19340 7779 1 16 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.215 -0.346 19340 7780 1 16 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.726 0.982 19340 7781 1 16 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.261 -1.311 19340 7782 1 16 . 1 1 26 26 ALA H H 26 9.068 9.068 8.259 0.809 19340 7783 1 16 . 1 1 27 27 SER N N 27 113.809 113.809 113.385 0.424 19340 7784 1 16 . 1 1 27 27 SER HA H 27 4.182 4.182 4.521 -0.339 19340 7785 1 16 . 1 1 27 27 SER CA C 27 62.075 62.075 60.074 2.001 19340 7786 1 16 . 1 1 27 27 SER CB C 27 62.929 62.929 64.055 -1.126 19340 7787 1 16 . 1 1 27 27 SER H H 27 8.004 8.004 7.362 0.642 19340 7788 1 16 . 1 1 28 28 ALA N N 28 124.782 124.782 125.803 -1.021 19340 7789 1 16 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.143 0.061 19340 7790 1 16 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.223 0.037 19340 7791 1 16 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.370 -0.669 19340 7792 1 16 . 1 1 28 28 ALA H H 28 7.970 7.970 8.107 -0.137 19340 7793 1 16 . 1 1 29 29 LEU N N 29 117.907 117.907 117.481 0.426 19340 7794 1 16 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.883 -0.059 19340 7795 1 16 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.074 -0.079 19340 7796 1 16 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.423 1.103 19340 7797 1 16 . 1 1 29 29 LEU H H 29 8.960 8.960 8.753 0.207 19340 7798 1 16 . 1 1 30 30 SER N N 30 112.859 112.859 112.638 0.221 19340 7799 1 16 . 1 1 30 30 SER HA H 30 4.076 4.076 4.082 -0.006 19340 7800 1 16 . 1 1 30 30 SER CA C 30 61.998 61.998 60.839 1.159 19340 7801 1 16 . 1 1 30 30 SER CB C 30 63.012 63.012 63.002 0.011 19340 7802 1 16 . 1 1 30 30 SER H H 30 7.951 7.951 7.841 0.110 19340 7803 1 16 . 1 1 31 31 THR N N 31 109.820 109.820 115.143 -5.323 19340 7804 1 16 . 1 1 31 31 THR HA H 31 4.472 4.472 4.247 0.225 19340 7805 1 16 . 1 1 31 31 THR CA C 31 62.731 62.731 63.932 -1.201 19340 7806 1 16 . 1 1 31 31 THR CB C 31 69.362 69.362 69.159 0.203 19340 7807 1 16 . 1 1 31 31 THR H H 31 7.164 7.164 7.728 -0.564 19340 7808 1 16 . 1 1 32 32 ALA N N 32 122.926 122.926 123.103 -0.177 19340 7809 1 16 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.321 0.106 19340 7810 1 16 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.521 -0.436 19340 7811 1 16 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.595 1.031 19340 7812 1 16 . 1 1 32 32 ALA H H 32 7.997 7.997 7.777 0.220 19340 7813 1 16 . 1 1 33 33 VAL N N 33 116.339 116.339 117.460 -1.121 19340 7814 1 16 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.065 0.396 19340 7815 1 16 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.740 -1.139 19340 7816 1 16 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.951 0.678 19340 7817 1 16 . 1 1 33 33 VAL H H 33 7.550 7.550 7.968 -0.418 19340 7818 1 16 . 1 1 34 34 GLY N N 34 113.114 113.114 113.927 -0.813 19340 7819 1 16 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.853 -0.584 19340 7820 1 16 . 1 1 34 34 GLY H H 34 7.886 7.886 8.543 -0.657 19340 7821 1 16 . 1 1 35 35 ARG N N 35 120.709 120.709 120.411 0.298 19340 7822 1 16 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.322 0.061 19340 7823 1 16 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.901 0.999 19340 7824 1 16 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.820 0.052 19340 7825 1 16 . 1 1 35 35 ARG H H 35 8.773 8.773 8.547 0.226 19340 7826 1 16 . 1 1 36 36 ASN N N 36 114.578 114.578 116.907 -2.329 19340 7827 1 16 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.736 0.088 19340 7828 1 16 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.498 0.596 19340 7829 1 16 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.743 -0.126 19340 7830 1 16 . 1 1 36 36 ASN H H 36 8.628 8.628 8.124 0.504 19340 7831 1 16 . 1 1 37 37 GLY N N 37 108.462 108.462 109.319 -0.857 19340 7832 1 16 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.511 -0.794 19340 7833 1 16 . 1 1 37 37 GLY H H 37 7.880 7.880 8.028 -0.148 19340 7834 1 16 . 1 1 38 38 VAL N N 38 121.761 121.761 120.748 1.013 19340 7835 1 16 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.273 0.104 19340 7836 1 16 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.503 -0.437 19340 7837 1 16 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.227 -0.456 19340 7838 1 16 . 1 1 38 38 VAL H H 38 8.565 8.565 7.665 0.900 19340 7839 1 16 . 1 1 39 39 ASP N N 39 127.585 127.585 128.370 -0.785 19340 7840 1 16 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.851 -0.200 19340 7841 1 16 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.313 0.532 19340 7842 1 16 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.891 0.538 19340 7843 1 16 . 1 1 39 39 ASP H H 39 9.007 9.007 8.519 0.488 19340 7844 1 16 . 1 1 40 40 VAL N N 40 129.021 129.021 126.065 2.956 19340 7845 1 16 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.841 -0.346 19340 7846 1 16 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.709 1.690 19340 7847 1 16 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.698 0.653 19340 7848 1 16 . 1 1 40 40 VAL H H 40 8.632 8.632 8.410 0.222 19340 7849 1 16 . 1 1 41 41 ASN N N 41 122.301 122.301 117.887 4.414 19340 7850 1 16 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.376 0.074 19340 7851 1 16 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.593 0.418 19340 7852 1 16 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.144 -0.307 19340 7853 1 16 . 1 1 41 41 ASN H H 41 8.673 8.673 8.511 0.162 19340 7854 1 16 . 1 1 42 42 ALA N N 42 124.313 124.313 122.590 1.723 19340 7855 1 16 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.242 -0.044 19340 7856 1 16 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.648 0.223 19340 7857 1 16 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.523 0.154 19340 7858 1 16 . 1 1 42 42 ALA H H 42 8.420 8.420 7.663 0.757 19340 7859 1 16 . 1 1 43 43 PHE N N 43 119.198 119.198 119.768 -0.570 19340 7860 1 16 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.212 0.271 19340 7861 1 16 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.088 -0.921 19340 7862 1 16 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.534 0.640 19340 7863 1 16 . 1 1 43 43 PHE H H 43 8.611 8.611 8.809 -0.198 19340 7864 1 16 . 1 1 44 44 THR N N 44 116.700 116.700 114.224 2.476 19340 7865 1 16 . 1 1 44 44 THR HA H 44 4.349 4.349 3.740 0.609 19340 7866 1 16 . 1 1 44 44 THR CA C 44 68.443 68.443 65.759 2.684 19340 7867 1 16 . 1 1 44 44 THR CB C 44 68.248 68.248 68.363 -0.115 19340 7868 1 16 . 1 1 44 44 THR H H 44 8.881 8.881 8.722 0.159 19340 7869 1 16 . 1 1 45 45 SER N N 45 116.018 116.018 116.801 -0.783 19340 7870 1 16 . 1 1 45 45 SER HA H 45 4.117 4.117 4.186 -0.069 19340 7871 1 16 . 1 1 45 45 SER CA C 45 62.507 62.507 62.279 0.228 19340 7872 1 16 . 1 1 45 45 SER CB C 45 62.706 62.706 62.998 -0.292 19340 7873 1 16 . 1 1 45 45 SER H H 45 8.020 8.020 7.719 0.301 19340 7874 1 16 . 1 1 46 46 GLY N N 46 108.460 108.460 108.946 -0.486 19340 7875 1 16 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.764 0.342 19340 7876 1 16 . 1 1 46 46 GLY H H 46 7.871 7.871 7.603 0.268 19340 7877 1 16 . 1 1 47 47 LEU N N 47 123.148 123.148 122.317 0.831 19340 7878 1 16 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.969 -0.139 19340 7879 1 16 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.362 0.978 19340 7880 1 16 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.344 1.088 19340 7881 1 16 . 1 1 47 47 LEU H H 47 8.221 8.221 7.344 0.877 19340 7882 1 16 . 1 1 48 48 ARG N N 48 118.694 118.694 119.076 -0.382 19340 7883 1 16 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.960 -0.113 19340 7884 1 16 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.833 0.405 19340 7885 1 16 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.800 0.545 19340 7886 1 16 . 1 1 48 48 ARG H H 48 8.646 8.646 8.319 0.327 19340 7887 1 16 . 1 1 49 49 ALA N N 49 122.114 122.114 120.664 1.450 19340 7888 1 16 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.245 -0.086 19340 7889 1 16 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.953 0.255 19340 7890 1 16 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.140 -0.048 19340 7891 1 16 . 1 1 49 49 ALA H H 49 8.078 8.078 7.534 0.544 19340 7892 1 16 . 1 1 50 50 THR N N 50 115.708 115.708 116.645 -0.937 19340 7893 1 16 . 1 1 50 50 THR HA H 50 3.696 3.696 4.054 -0.358 19340 7894 1 16 . 1 1 50 50 THR CA C 50 67.692 67.692 66.905 0.787 19340 7895 1 16 . 1 1 50 50 THR CB C 50 68.599 68.599 68.969 -0.370 19340 7896 1 16 . 1 1 50 50 THR H H 50 7.577 7.577 7.572 0.005 19340 7897 1 16 . 1 1 51 51 LEU N N 51 121.108 121.108 123.164 -2.056 19340 7898 1 16 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.171 -0.380 19340 7899 1 16 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.365 0.888 19340 7900 1 16 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.809 1.177 19340 7901 1 16 . 1 1 51 51 LEU H H 51 8.014 8.014 8.743 -0.729 19340 7902 1 16 . 1 1 52 52 SER N N 52 115.122 115.122 114.369 0.753 19340 7903 1 16 . 1 1 52 52 SER HA H 52 4.154 4.154 4.086 0.068 19340 7904 1 16 . 1 1 52 52 SER CA C 52 61.765 61.765 61.497 0.268 19340 7905 1 16 . 1 1 52 52 SER CB C 52 62.901 62.901 62.832 0.069 19340 7906 1 16 . 1 1 52 52 SER H H 52 8.442 8.442 8.000 0.442 19340 7907 1 16 . 1 1 53 53 ASN N N 53 119.438 119.438 119.549 -0.111 19340 7908 1 16 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.516 0.124 19340 7909 1 16 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.149 -0.156 19340 7910 1 16 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.846 0.661 19340 7911 1 16 . 1 1 53 53 ASN H H 53 7.705 7.705 7.734 -0.029 19340 7912 1 16 . 1 1 54 54 LEU N N 54 120.042 120.042 121.079 -1.037 19340 7913 1 16 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.182 0.011 19340 7914 1 16 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.524 -0.409 19340 7915 1 16 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.913 1.076 19340 7916 1 16 . 1 1 54 54 LEU H H 54 7.811 7.811 8.608 -0.797 19340 7917 1 16 . 1 1 55 55 GLY N N 55 109.450 109.450 105.540 3.910 19340 7918 1 16 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.281 1.395 19340 7919 1 16 . 1 1 55 55 GLY H H 55 8.074 8.074 8.216 -0.142 19340 7920 1 16 . 1 1 56 56 ASP N N 56 121.016 121.016 118.720 2.296 19340 7921 1 16 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.784 -0.027 19340 7922 1 16 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.465 1.346 19340 7923 1 16 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.586 -1.048 19340 7924 1 16 . 1 1 56 56 ASP H H 56 8.144 8.144 7.510 0.634 19340 7925 1 16 . 1 1 57 57 SER N N 57 113.978 113.978 114.834 -0.856 19340 7926 1 16 . 1 1 57 57 SER HA H 57 4.305 4.305 4.430 -0.125 19340 7927 1 16 . 1 1 57 57 SER CA C 57 60.031 60.031 60.001 0.030 19340 7928 1 16 . 1 1 57 57 SER CB C 57 65.212 65.212 64.850 0.362 19340 7929 1 16 . 1 1 57 57 SER H H 57 7.742 7.742 7.783 -0.041 19340 7930 1 16 . 1 1 58 58 GLY N N 58 110.315 110.315 109.111 1.204 19340 7931 1 16 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.862 0.828 19340 7932 1 16 . 1 1 58 58 GLY H H 58 8.306 8.306 7.893 0.413 19340 7933 1 16 . 1 1 59 59 MET N N 59 120.024 120.024 117.100 2.924 19340 7934 1 16 . 1 1 59 59 MET HA H 59 4.416 4.416 4.750 -0.334 19340 7935 1 16 . 1 1 59 59 MET CA C 59 56.597 56.597 55.249 1.348 19340 7936 1 16 . 1 1 59 59 MET CB C 59 34.328 34.328 34.025 0.303 19340 7937 1 16 . 1 1 59 59 MET H H 59 7.686 7.686 7.313 0.373 19340 7938 1 16 . 1 1 60 60 SER N N 60 122.795 122.795 114.250 8.545 19340 7939 1 16 . 1 1 60 60 SER HA H 60 4.601 4.601 4.788 -0.187 19340 7940 1 16 . 1 1 60 60 SER CA C 60 57.598 57.598 54.903 2.695 19340 7941 1 16 . 1 1 60 60 SER CB C 60 62.511 62.511 65.169 -2.658 19340 7942 1 16 . 1 1 60 60 SER H H 60 9.088 9.088 8.346 0.742 19340 7943 1 16 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.507 -0.292 19340 7944 1 16 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.095 2.527 19340 7945 1 16 . 1 1 61 61 PRO CB C 61 31.961 31.961 32.003 -0.042 19340 7946 1 16 . 1 1 62 62 ASN N N 62 113.170 113.170 115.776 -2.606 19340 7947 1 16 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.644 -0.267 19340 7948 1 16 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.041 1.375 19340 7949 1 16 . 1 1 62 62 ASN CB C 62 38.004 38.004 40.024 -2.020 19340 7950 1 16 . 1 1 62 62 ASN H H 62 8.389 8.389 8.382 0.007 19340 7951 1 16 . 1 1 63 63 GLU N N 63 120.222 120.222 120.696 -0.474 19340 7952 1 16 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.132 -0.380 19340 7953 1 16 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.519 1.149 19340 7954 1 16 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.132 8.705 19340 7955 1 16 . 1 1 63 63 GLU H H 63 7.428 7.428 7.558 -0.130 19340 7956 1 16 . 1 1 64 64 ALA N N 64 120.568 120.568 121.997 -1.429 19340 7957 1 16 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.074 0.002 19340 7958 1 16 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.482 -0.662 19340 7959 1 16 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.495 -0.154 19340 7960 1 16 . 1 1 64 64 ALA H H 64 8.640 8.640 7.794 0.846 19340 7961 1 16 . 1 1 65 65 LYS N N 65 115.104 115.104 116.802 -1.698 19340 7962 1 16 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.030 -0.407 19340 7963 1 16 . 1 1 65 65 LYS CA C 65 60.876 60.876 58.818 2.058 19340 7964 1 16 . 1 1 65 65 LYS CB C 65 32.852 32.852 31.929 0.923 19340 7965 1 16 . 1 1 65 65 LYS H H 65 7.472 7.472 8.363 -0.891 19340 7966 1 16 . 1 1 66 66 VAL N N 66 116.911 116.911 119.637 -2.726 19340 7967 1 16 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.017 -0.466 19340 7968 1 16 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.731 2.573 19340 7969 1 16 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.033 -0.490 19340 7970 1 16 . 1 1 66 66 VAL H H 66 7.045 7.045 7.242 -0.197 19340 7971 1 16 . 1 1 67 67 GLU N N 67 120.755 120.755 119.921 0.834 19340 7972 1 16 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.118 -0.076 19340 7973 1 16 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.425 -1.016 19340 7974 1 16 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.583 3.352 19340 7975 1 16 . 1 1 67 67 GLU H H 67 8.439 8.439 8.614 -0.175 19340 7976 1 16 . 1 1 68 68 VAL N N 68 119.280 119.280 116.230 3.050 19340 7977 1 16 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.677 -0.322 19340 7978 1 16 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.913 1.520 19340 7979 1 16 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.206 -0.553 19340 7980 1 16 . 1 1 68 68 VAL H H 68 8.473 8.473 7.979 0.494 19340 7981 1 16 . 1 1 69 69 LEU N N 69 117.578 117.578 119.332 -1.754 19340 7982 1 16 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.993 -0.035 19340 7983 1 16 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.435 0.921 19340 7984 1 16 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.386 0.712 19340 7985 1 16 . 1 1 69 69 LEU H H 69 7.292 7.292 7.571 -0.279 19340 7986 1 16 . 1 1 70 70 LEU N N 70 118.482 118.482 118.938 -0.456 19340 7987 1 16 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.980 0.001 19340 7988 1 16 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.812 0.562 19340 7989 1 16 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.976 0.205 19340 7990 1 16 . 1 1 70 70 LEU H H 70 8.237 8.237 7.573 0.664 19340 7991 1 16 . 1 1 71 71 GLU N N 71 123.582 123.582 119.848 3.734 19340 7992 1 16 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.992 -0.268 19340 7993 1 16 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.756 1.327 19340 7994 1 16 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.691 7.617 19340 7995 1 16 . 1 1 71 71 GLU H H 71 8.915 8.915 7.938 0.977 19340 7996 1 16 . 1 1 72 72 ALA N N 72 123.321 123.321 121.677 1.644 19340 7997 1 16 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.159 -0.095 19340 7998 1 16 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.201 0.499 19340 7999 1 16 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.741 -0.900 19340 8000 1 16 . 1 1 72 72 ALA H H 72 8.994 8.994 8.262 0.732 19340 8001 1 16 . 1 1 73 73 LEU N N 73 118.574 118.574 119.057 -0.483 19340 8002 1 16 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.032 -0.074 19340 8003 1 16 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.589 0.647 19340 8004 1 16 . 1 1 73 73 LEU CB C 73 42.348 42.348 42.054 0.294 19340 8005 1 16 . 1 1 73 73 LEU H H 73 8.544 8.544 7.584 0.960 19340 8006 1 16 . 1 1 74 74 THR N N 74 115.785 115.785 115.902 -0.117 19340 8007 1 16 . 1 1 74 74 THR HA H 74 3.578 3.578 3.854 -0.276 19340 8008 1 16 . 1 1 74 74 THR CA C 74 68.727 68.727 67.344 1.383 19340 8009 1 16 . 1 1 74 74 THR CB C 74 67.691 67.691 68.504 -0.812 19340 8010 1 16 . 1 1 74 74 THR H H 74 8.137 8.137 8.045 0.092 19340 8011 1 16 . 1 1 75 75 ALA N N 75 123.543 123.543 123.209 0.334 19340 8012 1 16 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.379 -0.683 19340 8013 1 16 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.888 0.674 19340 8014 1 16 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.489 0.884 19340 8015 1 16 . 1 1 75 75 ALA H H 75 8.585 8.585 7.640 0.945 19340 8016 1 16 . 1 1 76 76 ALA N N 76 118.729 118.729 120.897 -2.168 19340 8017 1 16 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.009 -0.235 19340 8018 1 16 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.388 1.053 19340 8019 1 16 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.554 -0.406 19340 8020 1 16 . 1 1 76 76 ALA H H 76 8.199 8.199 7.238 0.961 19340 8021 1 16 . 1 1 77 77 LEU N N 77 117.321 117.321 119.441 -2.120 19340 8022 1 16 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.804 0.071 19340 8023 1 16 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.915 0.287 19340 8024 1 16 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.695 -1.073 19340 8025 1 16 . 1 1 77 77 LEU H H 77 8.265 8.265 8.770 -0.505 19340 8026 1 16 . 1 1 78 78 GLN N N 78 121.687 121.687 117.835 3.852 19340 8027 1 16 . 1 1 78 78 GLN HA H 78 3.813 3.813 3.988 -0.175 19340 8028 1 16 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.460 0.173 19340 8029 1 16 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.297 4.142 19340 8030 1 16 . 1 1 78 78 GLN H H 78 8.776 8.776 7.962 0.814 19340 8031 1 16 . 1 1 79 79 LEU N N 79 120.042 120.042 120.240 -0.198 19340 8032 1 16 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.136 -0.128 19340 8033 1 16 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.493 0.243 19340 8034 1 16 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.201 0.342 19340 8035 1 16 . 1 1 79 79 LEU H H 79 7.990 7.990 7.317 0.673 19340 8036 1 16 . 1 1 80 80 LEU N N 80 122.157 122.157 120.266 1.891 19340 8037 1 16 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.001 -0.177 19340 8038 1 16 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.013 1.076 19340 8039 1 16 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.934 2.470 19340 8040 1 16 . 1 1 80 80 LEU H H 80 8.454 8.454 8.433 0.021 19340 8041 1 16 . 1 1 81 81 SER N N 81 114.179 114.179 114.758 -0.579 19340 8042 1 16 . 1 1 81 81 SER HA H 81 3.897 3.897 4.244 -0.347 19340 8043 1 16 . 1 1 81 81 SER CA C 81 61.756 61.756 60.579 1.177 19340 8044 1 16 . 1 1 81 81 SER CB C 81 63.486 63.486 62.997 0.489 19340 8045 1 16 . 1 1 81 81 SER H H 81 8.006 8.006 7.945 0.061 19340 8046 1 16 . 1 1 82 82 SER N N 82 113.392 113.392 114.894 -1.502 19340 8047 1 16 . 1 1 82 82 SER HA H 82 4.718 4.718 4.713 0.005 19340 8048 1 16 . 1 1 82 82 SER CA C 82 57.718 57.718 57.687 0.031 19340 8049 1 16 . 1 1 82 82 SER CB C 82 64.377 64.377 63.789 0.587 19340 8050 1 16 . 1 1 82 82 SER H H 82 7.160 7.160 7.975 -0.815 19340 8051 1 16 . 1 1 83 83 SER N N 83 117.607 117.607 117.867 -0.260 19340 8052 1 16 . 1 1 83 83 SER HA H 83 4.885 4.885 4.721 0.164 19340 8053 1 16 . 1 1 83 83 SER CA C 83 59.263 59.263 57.876 1.387 19340 8054 1 16 . 1 1 83 83 SER CB C 83 65.352 65.352 64.970 0.382 19340 8055 1 16 . 1 1 83 83 SER H H 83 7.369 7.369 7.832 -0.463 19340 8056 1 16 . 1 1 84 84 THR N N 84 117.656 117.656 114.454 3.202 19340 8057 1 16 . 1 1 84 84 THR HA H 84 4.545 4.545 4.430 0.115 19340 8058 1 16 . 1 1 84 84 THR CA C 84 62.006 62.006 62.286 -0.280 19340 8059 1 16 . 1 1 84 84 THR CB C 84 69.724 69.724 69.296 0.428 19340 8060 1 16 . 1 1 84 84 THR H H 84 8.488 8.488 8.281 0.207 19340 8061 1 16 . 1 1 85 85 LEU N N 85 130.429 130.429 119.528 10.901 19340 8062 1 16 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.111 0.177 19340 8063 1 16 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.276 1.019 19340 8064 1 16 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.379 2.011 19340 8065 1 16 . 1 1 85 85 LEU H H 85 8.878 8.878 7.700 1.178 19340 8066 1 16 . 1 1 86 86 GLY N N 86 112.150 112.150 106.909 5.241 19340 8067 1 16 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.636 -1.834 19340 8068 1 16 . 1 1 86 86 GLY H H 86 7.901 7.901 8.863 -0.962 19340 8069 1 16 . 1 1 87 87 ALA N N 87 122.559 122.559 122.307 0.252 19340 8070 1 16 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.471 -0.187 19340 8071 1 16 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.090 -0.135 19340 8072 1 16 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.731 -0.386 19340 8073 1 16 . 1 1 87 87 ALA H H 87 8.113 8.113 7.580 0.533 19340 8074 1 16 . 1 1 88 88 VAL N N 88 122.375 122.375 117.829 4.546 19340 8075 1 16 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.282 -0.475 19340 8076 1 16 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.687 0.278 19340 8077 1 16 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.786 -0.157 19340 8078 1 16 . 1 1 88 88 VAL H H 88 8.447 8.447 8.318 0.129 19340 8079 1 16 . 1 1 89 89 ASP N N 89 127.408 127.408 119.651 7.757 19340 8080 1 16 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.479 0.379 19340 8081 1 16 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.744 -2.142 19340 8082 1 16 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.772 1.045 19340 8083 1 16 . 1 1 89 89 ASP H H 89 8.570 8.570 8.442 0.128 19340 8084 1 16 . 1 1 90 90 THR N N 90 116.481 116.481 109.670 6.811 19340 8085 1 16 . 1 1 90 90 THR HA H 90 3.953 3.953 4.109 -0.156 19340 8086 1 16 . 1 1 90 90 THR CA C 90 63.879 63.879 64.104 -0.225 19340 8087 1 16 . 1 1 90 90 THR CB C 90 68.833 68.833 69.094 -0.261 19340 8088 1 16 . 1 1 90 90 THR H H 90 8.539 8.539 8.310 0.229 19340 8089 1 16 . 1 1 91 91 THR N N 91 114.681 114.681 114.282 0.399 19340 8090 1 16 . 1 1 91 91 THR HA H 91 4.182 4.182 4.279 -0.097 19340 8091 1 16 . 1 1 91 91 THR CA C 91 64.750 64.750 64.057 0.693 19340 8092 1 16 . 1 1 91 91 THR CB C 91 69.055 69.055 68.718 0.337 19340 8093 1 16 . 1 1 91 91 THR H H 91 8.335 8.335 7.924 0.411 19340 8094 1 16 . 1 1 92 92 SER N N 92 114.236 114.236 117.205 -2.969 19340 8095 1 16 . 1 1 92 92 SER HA H 92 4.668 4.668 4.606 0.062 19340 8096 1 16 . 1 1 92 92 SER CA C 92 58.460 58.460 58.470 -0.010 19340 8097 1 16 . 1 1 92 92 SER CB C 92 64.433 64.433 63.413 1.020 19340 8098 1 16 . 1 1 92 92 SER H H 92 7.642 7.642 7.579 0.063 19340 8099 1 16 . 1 1 93 93 ILE N N 93 122.128 122.128 123.202 -1.074 19340 8100 1 16 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.766 0.047 19340 8101 1 16 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.212 -0.082 19340 8102 1 16 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.239 0.960 19340 8103 1 16 . 1 1 93 93 ILE H H 93 7.276 7.276 7.169 0.107 19340 8104 1 16 . 1 1 94 94 GLY N N 94 108.426 108.426 107.174 1.252 19340 8105 1 16 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.213 -0.214 19340 8106 1 16 . 1 1 94 94 GLY H H 94 8.756 8.756 8.610 0.146 19340 8107 1 16 . 1 1 95 95 LEU N N 95 123.674 123.674 122.393 1.281 19340 8108 1 16 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.167 0.115 19340 8109 1 16 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.654 0.375 19340 8110 1 16 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.789 -0.527 19340 8111 1 16 . 1 1 95 95 LEU H H 95 7.568 7.568 7.570 -0.002 19340 8112 1 16 . 1 1 96 96 THR N N 96 119.717 119.717 116.738 2.979 19340 8113 1 16 . 1 1 96 96 THR HA H 96 3.837 3.837 3.944 -0.107 19340 8114 1 16 . 1 1 96 96 THR CA C 96 66.683 66.683 67.323 -0.640 19340 8115 1 16 . 1 1 96 96 THR CB C 96 67.969 67.969 68.614 -0.645 19340 8116 1 16 . 1 1 96 96 THR H H 96 8.430 8.430 8.497 -0.067 19340 8117 1 16 . 1 1 97 97 SER N N 97 117.285 117.285 116.078 1.207 19340 8118 1 16 . 1 1 97 97 SER HA H 97 4.094 4.094 4.146 -0.052 19340 8119 1 16 . 1 1 97 97 SER CA C 97 62.507 62.507 61.986 0.521 19340 8120 1 16 . 1 1 97 97 SER CB C 97 62.845 62.845 62.908 -0.063 19340 8121 1 16 . 1 1 97 97 SER H H 97 9.000 9.000 8.771 0.229 19340 8122 1 16 . 1 1 98 98 ASN N N 98 121.846 121.846 119.311 2.535 19340 8123 1 16 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.618 -0.230 19340 8124 1 16 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.333 1.549 19340 8125 1 16 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.686 0.148 19340 8126 1 16 . 1 1 98 98 ASN H H 98 7.939 7.939 7.680 0.259 19340 8127 1 16 . 1 1 99 99 SER N N 99 117.585 117.585 117.655 -0.070 19340 8128 1 16 . 1 1 99 99 SER HA H 99 4.204 4.204 4.316 -0.112 19340 8129 1 16 . 1 1 99 99 SER CA C 99 62.886 62.886 62.189 0.697 19340 8130 1 16 . 1 1 99 99 SER CB C 99 62.984 62.984 63.143 -0.159 19340 8131 1 16 . 1 1 99 99 SER H H 99 8.370 8.370 8.164 0.206 19340 8132 1 16 . 1 1 100 100 VAL N N 100 121.524 121.524 119.288 2.236 19340 8133 1 16 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.905 -0.354 19340 8134 1 16 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.508 1.442 19340 8135 1 16 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.258 0.397 19340 8136 1 16 . 1 1 100 100 VAL H H 100 8.565 8.565 8.266 0.299 19340 8137 1 16 . 1 1 101 101 SER N N 101 113.005 113.005 116.183 -3.178 19340 8138 1 16 . 1 1 101 101 SER HA H 101 3.875 3.875 4.131 -0.256 19340 8139 1 16 . 1 1 101 101 SER CA C 101 62.326 62.326 61.664 0.662 19340 8140 1 16 . 1 1 101 101 SER CB C 101 63.263 63.263 62.847 0.416 19340 8141 1 16 . 1 1 101 101 SER H H 101 8.272 8.272 7.807 0.465 19340 8142 1 16 . 1 1 102 102 LYS N N 102 119.357 119.357 121.520 -2.163 19340 8143 1 16 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.107 -0.087 19340 8144 1 16 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.043 0.556 19340 8145 1 16 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.476 0.667 19340 8146 1 16 . 1 1 102 102 LYS H H 102 7.953 7.953 7.825 0.128 19340 8147 1 16 . 1 1 103 103 ALA N N 103 120.882 120.882 122.753 -1.871 19340 8148 1 16 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.998 0.245 19340 8149 1 16 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.895 -0.308 19340 8150 1 16 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.318 2.308 19340 8151 1 16 . 1 1 103 103 ALA H H 103 8.049 8.049 8.315 -0.266 19340 8152 1 16 . 1 1 104 104 VAL N N 104 116.191 116.191 118.579 -2.388 19340 8153 1 16 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.389 -0.140 19340 8154 1 16 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.703 0.411 19340 8155 1 16 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.786 -0.772 19340 8156 1 16 . 1 1 104 104 VAL H H 104 8.572 8.572 8.251 0.321 19340 8157 1 16 . 1 1 105 105 ALA N N 105 121.884 121.884 120.460 1.424 19340 8158 1 16 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.263 -0.372 19340 8159 1 16 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.292 1.011 19340 8160 1 16 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.393 0.089 19340 8161 1 16 . 1 1 105 105 ALA H H 105 8.347 8.347 7.796 0.551 19340 8162 1 16 . 1 1 106 106 GLN N N 106 113.657 113.657 118.846 -5.189 19340 8163 1 16 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.154 -0.123 19340 8164 1 16 . 1 1 106 106 GLN CA C 106 58.348 58.348 57.366 0.982 19340 8165 1 16 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.178 6.069 19340 8166 1 16 . 1 1 106 106 GLN H H 106 7.838 7.838 7.980 -0.142 19340 8167 1 16 . 1 1 107 107 ALA N N 107 117.818 117.818 120.482 -2.664 19340 8168 1 16 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.320 -0.066 19340 8169 1 16 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.917 0.238 19340 8170 1 16 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.635 2.523 19340 8171 1 16 . 1 1 107 107 ALA H H 107 8.145 8.145 7.963 0.182 19340 8172 1 16 . 1 1 108 108 LEU N N 108 113.428 113.428 118.086 -4.658 19340 8173 1 16 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.328 0.094 19340 8174 1 16 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.318 -0.913 19340 8175 1 16 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.860 -0.205 19340 8176 1 16 . 1 1 108 108 LEU H H 108 8.341 8.341 7.847 0.494 19340 8177 1 17 . 1 1 2 2 SER N N 2 117.112 117.112 117.733 -0.621 19340 8178 1 17 . 1 1 2 2 SER HA H 2 4.500 4.500 4.146 0.354 19340 8179 1 17 . 1 1 2 2 SER CA C 2 58.547 58.547 58.747 -0.200 19340 8180 1 17 . 1 1 2 2 SER CB C 2 63.820 63.820 64.054 -0.234 19340 8181 1 17 . 1 1 2 2 SER H H 2 8.748 8.748 8.331 0.417 19340 8182 1 17 . 1 1 3 3 PHE N N 3 123.783 123.783 121.649 2.134 19340 8183 1 17 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.489 -0.268 19340 8184 1 17 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.581 2.510 19340 8185 1 17 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.488 0.379 19340 8186 1 17 . 1 1 3 3 PHE H H 3 8.398 8.398 8.618 -0.220 19340 8187 1 17 . 1 1 4 4 GLY N N 4 106.435 106.435 107.828 -1.393 19340 8188 1 17 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.349 0.870 19340 8189 1 17 . 1 1 4 4 GLY H H 4 8.699 8.699 8.051 0.648 19340 8190 1 17 . 1 1 5 5 LEU N N 5 121.041 121.041 119.838 1.203 19340 8191 1 17 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.239 -0.108 19340 8192 1 17 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.107 0.499 19340 8193 1 17 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.543 0.248 19340 8194 1 17 . 1 1 5 5 LEU H H 5 7.590 7.590 7.450 0.140 19340 8195 1 17 . 1 1 6 6 VAL N N 6 118.980 118.980 115.012 3.968 19340 8196 1 17 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.778 -0.077 19340 8197 1 17 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.470 0.298 19340 8198 1 17 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.725 0.598 19340 8199 1 17 . 1 1 6 6 VAL H H 6 7.630 7.630 7.566 0.064 19340 8200 1 17 . 1 1 7 7 LEU N N 7 120.127 120.127 116.482 3.645 19340 8201 1 17 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.164 0.096 19340 8202 1 17 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.828 0.242 19340 8203 1 17 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.520 0.271 19340 8204 1 17 . 1 1 7 7 LEU H H 7 8.171 8.171 7.513 0.658 19340 8205 1 17 . 1 1 8 8 ASN N N 8 114.592 114.592 116.218 -1.626 19340 8206 1 17 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.681 0.143 19340 8207 1 17 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.629 -0.906 19340 8208 1 17 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.295 0.046 19340 8209 1 17 . 1 1 8 8 ASN H H 8 7.602 7.602 7.628 -0.026 19340 8210 1 17 . 1 1 9 9 SER N N 9 116.029 116.029 116.819 -0.790 19340 8211 1 17 . 1 1 9 9 SER HA H 9 4.690 4.690 4.538 0.152 19340 8212 1 17 . 1 1 9 9 SER CA C 9 56.675 56.675 57.661 -0.987 19340 8213 1 17 . 1 1 9 9 SER CB C 9 64.210 64.210 63.646 0.564 19340 8214 1 17 . 1 1 9 9 SER H H 9 7.186 7.186 7.799 -0.613 19340 8215 1 17 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.449 -0.010 19340 8216 1 17 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.564 0.143 19340 8217 1 17 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.081 -0.037 19340 8218 1 17 . 1 1 11 11 ASN N N 11 114.702 114.702 114.012 0.690 19340 8219 1 17 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.840 0.219 19340 8220 1 17 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.831 0.935 19340 8221 1 17 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.768 2.519 19340 8222 1 17 . 1 1 11 11 ASN H H 11 8.150 8.150 7.888 0.262 19340 8223 1 17 . 1 1 12 12 GLY N N 12 122.938 122.938 109.463 13.475 19340 8224 1 17 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.724 -1.603 19340 8225 1 17 . 1 1 12 12 GLY H H 12 7.324 7.324 7.647 -0.323 19340 8226 1 17 . 1 1 13 13 LEU N N 13 124.662 124.662 120.108 4.554 19340 8227 1 17 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.508 -0.779 19340 8228 1 17 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.325 2.696 19340 8229 1 17 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.353 1.332 19340 8230 1 17 . 1 1 13 13 LEU H H 13 9.253 9.253 8.334 0.919 19340 8231 1 17 . 1 1 14 14 ARG N N 14 113.071 113.071 118.651 -5.580 19340 8232 1 17 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.187 0.101 19340 8233 1 17 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.062 -0.672 19340 8234 1 17 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.424 -0.385 19340 8235 1 17 . 1 1 14 14 ARG H H 14 8.168 8.168 8.058 0.110 19340 8236 1 17 . 1 1 15 15 SER N N 15 118.055 118.055 113.600 4.455 19340 8237 1 17 . 1 1 15 15 SER HA H 15 4.690 4.690 4.668 0.022 19340 8238 1 17 . 1 1 15 15 SER CA C 15 57.520 57.520 57.451 0.069 19340 8239 1 17 . 1 1 15 15 SER CB C 15 65.463 65.463 64.333 1.130 19340 8240 1 17 . 1 1 15 15 SER H H 15 8.264 8.264 7.761 0.503 19340 8241 1 17 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.320 0.057 19340 8242 1 17 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.973 0.381 19340 8243 1 17 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.956 -0.189 19340 8244 1 17 . 1 1 17 17 GLN N N 17 117.374 117.374 117.586 -0.212 19340 8245 1 17 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.073 0.042 19340 8246 1 17 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.733 0.538 19340 8247 1 17 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.261 0.633 19340 8248 1 17 . 1 1 17 17 GLN H H 17 8.661 8.661 8.770 -0.109 19340 8249 1 17 . 1 1 18 18 ALA N N 18 122.904 122.904 122.558 0.346 19340 8250 1 17 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.111 -0.242 19340 8251 1 17 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.691 0.699 19340 8252 1 17 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.403 0.914 19340 8253 1 17 . 1 1 18 18 ALA H H 18 7.785 7.785 7.580 0.205 19340 8254 1 17 . 1 1 19 19 LYS N N 19 116.947 116.947 119.150 -2.203 19340 8255 1 17 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.004 -0.252 19340 8256 1 17 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.333 1.397 19340 8257 1 17 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.190 -0.591 19340 8258 1 17 . 1 1 19 19 LYS H H 19 7.410 7.410 7.518 -0.108 19340 8259 1 17 . 1 1 20 20 ALA N N 20 119.887 119.887 121.847 -1.960 19340 8260 1 17 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.104 0.067 19340 8261 1 17 . 1 1 20 20 ALA CA C 20 55.009 55.009 54.888 0.121 19340 8262 1 17 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.194 0.093 19340 8263 1 17 . 1 1 20 20 ALA H H 20 7.362 7.362 7.590 -0.228 19340 8264 1 17 . 1 1 21 21 ARG N N 21 118.182 118.182 118.780 -0.598 19340 8265 1 17 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.027 0.021 19340 8266 1 17 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.196 1.396 19340 8267 1 17 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.285 1.730 19340 8268 1 17 . 1 1 21 21 ARG H H 21 7.502 7.502 7.418 0.084 19340 8269 1 17 . 1 1 22 22 ILE N N 22 122.484 122.484 119.814 2.670 19340 8270 1 17 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.787 -0.242 19340 8271 1 17 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.207 0.803 19340 8272 1 17 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.502 0.502 19340 8273 1 17 . 1 1 22 22 ILE H H 22 9.258 9.258 8.233 1.025 19340 8274 1 17 . 1 1 23 23 ASN N N 23 119.721 119.721 118.540 1.181 19340 8275 1 17 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.328 -0.051 19340 8276 1 17 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.923 0.235 19340 8277 1 17 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.324 0.627 19340 8278 1 17 . 1 1 23 23 ASN H H 23 8.395 8.395 7.981 0.414 19340 8279 1 17 . 1 1 24 24 ASN N N 24 117.554 117.554 117.910 -0.356 19340 8280 1 17 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.524 -0.029 19340 8281 1 17 . 1 1 24 24 ASN CA C 24 56.459 56.459 56.088 0.371 19340 8282 1 17 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.083 -0.129 19340 8283 1 17 . 1 1 24 24 ASN H H 24 8.002 8.002 7.680 0.322 19340 8284 1 17 . 1 1 25 25 LEU N N 25 123.367 123.367 121.623 1.744 19340 8285 1 17 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.135 0.019 19340 8286 1 17 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.225 -0.308 19340 8287 1 17 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.837 1.096 19340 8288 1 17 . 1 1 25 25 LEU H H 25 8.235 8.235 7.953 0.282 19340 8289 1 17 . 1 1 26 26 ALA N N 26 123.137 123.137 120.627 2.510 19340 8290 1 17 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.221 -0.352 19340 8291 1 17 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.783 0.925 19340 8292 1 17 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.274 -1.324 19340 8293 1 17 . 1 1 26 26 ALA H H 26 9.068 9.068 8.352 0.716 19340 8294 1 17 . 1 1 27 27 SER N N 27 113.809 113.809 112.947 0.862 19340 8295 1 17 . 1 1 27 27 SER HA H 27 4.182 4.182 4.493 -0.311 19340 8296 1 17 . 1 1 27 27 SER CA C 27 62.075 62.075 60.078 1.996 19340 8297 1 17 . 1 1 27 27 SER CB C 27 62.929 62.929 63.980 -1.051 19340 8298 1 17 . 1 1 27 27 SER H H 27 8.004 8.004 7.348 0.656 19340 8299 1 17 . 1 1 28 28 ALA N N 28 124.782 124.782 125.688 -0.906 19340 8300 1 17 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.062 0.142 19340 8301 1 17 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.242 0.018 19340 8302 1 17 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.424 -0.722 19340 8303 1 17 . 1 1 28 28 ALA H H 28 7.970 7.970 8.040 -0.070 19340 8304 1 17 . 1 1 29 29 LEU N N 29 117.907 117.907 117.760 0.147 19340 8305 1 17 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.827 -0.003 19340 8306 1 17 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.187 -0.192 19340 8307 1 17 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.386 1.140 19340 8308 1 17 . 1 1 29 29 LEU H H 29 8.960 8.960 8.743 0.217 19340 8309 1 17 . 1 1 30 30 SER N N 30 112.859 112.859 111.840 1.019 19340 8310 1 17 . 1 1 30 30 SER HA H 30 4.076 4.076 4.097 -0.021 19340 8311 1 17 . 1 1 30 30 SER CA C 30 61.998 61.998 60.736 1.262 19340 8312 1 17 . 1 1 30 30 SER CB C 30 63.012 63.012 62.941 0.071 19340 8313 1 17 . 1 1 30 30 SER H H 30 7.951 7.951 7.917 0.034 19340 8314 1 17 . 1 1 31 31 THR N N 31 109.820 109.820 115.628 -5.808 19340 8315 1 17 . 1 1 31 31 THR HA H 31 4.472 4.472 4.264 0.208 19340 8316 1 17 . 1 1 31 31 THR CA C 31 62.731 62.731 64.207 -1.476 19340 8317 1 17 . 1 1 31 31 THR CB C 31 69.362 69.362 69.143 0.219 19340 8318 1 17 . 1 1 31 31 THR H H 31 7.164 7.164 7.452 -0.288 19340 8319 1 17 . 1 1 32 32 ALA N N 32 122.926 122.926 123.117 -0.191 19340 8320 1 17 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.290 0.137 19340 8321 1 17 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.489 -0.404 19340 8322 1 17 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.919 0.707 19340 8323 1 17 . 1 1 32 32 ALA H H 32 7.997 7.997 7.848 0.149 19340 8324 1 17 . 1 1 33 33 VAL N N 33 116.339 116.339 117.656 -1.317 19340 8325 1 17 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.074 0.387 19340 8326 1 17 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.758 -1.157 19340 8327 1 17 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.902 0.727 19340 8328 1 17 . 1 1 33 33 VAL H H 33 7.550 7.550 8.009 -0.459 19340 8329 1 17 . 1 1 34 34 GLY N N 34 113.114 113.114 113.961 -0.847 19340 8330 1 17 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.880 -0.611 19340 8331 1 17 . 1 1 34 34 GLY H H 34 7.886 7.886 8.538 -0.652 19340 8332 1 17 . 1 1 35 35 ARG N N 35 120.709 120.709 120.405 0.304 19340 8333 1 17 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.312 0.071 19340 8334 1 17 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.940 0.960 19340 8335 1 17 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.814 0.058 19340 8336 1 17 . 1 1 35 35 ARG H H 35 8.773 8.773 8.533 0.240 19340 8337 1 17 . 1 1 36 36 ASN N N 36 114.578 114.578 116.791 -2.213 19340 8338 1 17 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.730 0.094 19340 8339 1 17 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.306 0.788 19340 8340 1 17 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.279 0.338 19340 8341 1 17 . 1 1 36 36 ASN H H 36 8.628 8.628 7.993 0.635 19340 8342 1 17 . 1 1 37 37 GLY N N 37 108.462 108.462 109.734 -1.272 19340 8343 1 17 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.844 -1.127 19340 8344 1 17 . 1 1 37 37 GLY H H 37 7.880 7.880 8.100 -0.220 19340 8345 1 17 . 1 1 38 38 VAL N N 38 121.761 121.761 120.217 1.544 19340 8346 1 17 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.236 0.141 19340 8347 1 17 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.463 -0.397 19340 8348 1 17 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.930 -0.159 19340 8349 1 17 . 1 1 38 38 VAL H H 38 8.565 8.565 7.734 0.831 19340 8350 1 17 . 1 1 39 39 ASP N N 39 127.585 127.585 128.010 -0.425 19340 8351 1 17 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.892 -0.241 19340 8352 1 17 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.831 1.014 19340 8353 1 17 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.476 0.953 19340 8354 1 17 . 1 1 39 39 ASP H H 39 9.007 9.007 8.494 0.513 19340 8355 1 17 . 1 1 40 40 VAL N N 40 129.021 129.021 126.631 2.390 19340 8356 1 17 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.810 -0.315 19340 8357 1 17 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.141 2.258 19340 8358 1 17 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.518 0.833 19340 8359 1 17 . 1 1 40 40 VAL H H 40 8.632 8.632 8.670 -0.038 19340 8360 1 17 . 1 1 41 41 ASN N N 41 122.301 122.301 118.599 3.702 19340 8361 1 17 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.353 0.097 19340 8362 1 17 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.741 0.270 19340 8363 1 17 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.385 -0.548 19340 8364 1 17 . 1 1 41 41 ASN H H 41 8.673 8.673 7.970 0.703 19340 8365 1 17 . 1 1 42 42 ALA N N 42 124.313 124.313 122.611 1.702 19340 8366 1 17 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.261 -0.063 19340 8367 1 17 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.597 0.274 19340 8368 1 17 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.429 0.248 19340 8369 1 17 . 1 1 42 42 ALA H H 42 8.420 8.420 7.483 0.937 19340 8370 1 17 . 1 1 43 43 PHE N N 43 119.198 119.198 119.738 -0.540 19340 8371 1 17 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.213 0.270 19340 8372 1 17 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.064 -0.897 19340 8373 1 17 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.540 0.634 19340 8374 1 17 . 1 1 43 43 PHE H H 43 8.611 8.611 8.807 -0.196 19340 8375 1 17 . 1 1 44 44 THR N N 44 116.700 116.700 114.283 2.417 19340 8376 1 17 . 1 1 44 44 THR HA H 44 4.349 4.349 3.770 0.579 19340 8377 1 17 . 1 1 44 44 THR CA C 44 68.443 68.443 65.683 2.760 19340 8378 1 17 . 1 1 44 44 THR CB C 44 68.248 68.248 68.363 -0.115 19340 8379 1 17 . 1 1 44 44 THR H H 44 8.881 8.881 8.729 0.152 19340 8380 1 17 . 1 1 45 45 SER N N 45 116.018 116.018 116.910 -0.892 19340 8381 1 17 . 1 1 45 45 SER HA H 45 4.117 4.117 4.188 -0.071 19340 8382 1 17 . 1 1 45 45 SER CA C 45 62.507 62.507 62.349 0.158 19340 8383 1 17 . 1 1 45 45 SER CB C 45 62.706 62.706 63.001 -0.295 19340 8384 1 17 . 1 1 45 45 SER H H 45 8.020 8.020 7.740 0.280 19340 8385 1 17 . 1 1 46 46 GLY N N 46 108.460 108.460 109.000 -0.540 19340 8386 1 17 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.779 0.327 19340 8387 1 17 . 1 1 46 46 GLY H H 46 7.871 7.871 7.717 0.154 19340 8388 1 17 . 1 1 47 47 LEU N N 47 123.148 123.148 122.440 0.708 19340 8389 1 17 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.929 -0.099 19340 8390 1 17 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.527 0.813 19340 8391 1 17 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.540 0.892 19340 8392 1 17 . 1 1 47 47 LEU H H 47 8.221 8.221 7.397 0.824 19340 8393 1 17 . 1 1 48 48 ARG N N 48 118.694 118.694 119.183 -0.489 19340 8394 1 17 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.978 -0.131 19340 8395 1 17 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.794 0.445 19340 8396 1 17 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.821 0.524 19340 8397 1 17 . 1 1 48 48 ARG H H 48 8.646 8.646 8.322 0.324 19340 8398 1 17 . 1 1 49 49 ALA N N 49 122.114 122.114 120.672 1.442 19340 8399 1 17 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.263 -0.104 19340 8400 1 17 . 1 1 49 49 ALA CA C 49 55.208 55.208 55.018 0.190 19340 8401 1 17 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.176 -0.084 19340 8402 1 17 . 1 1 49 49 ALA H H 49 8.078 8.078 7.586 0.492 19340 8403 1 17 . 1 1 50 50 THR N N 50 115.708 115.708 116.525 -0.817 19340 8404 1 17 . 1 1 50 50 THR HA H 50 3.696 3.696 4.068 -0.372 19340 8405 1 17 . 1 1 50 50 THR CA C 50 67.692 67.692 66.533 1.159 19340 8406 1 17 . 1 1 50 50 THR CB C 50 68.599 68.599 68.620 -0.021 19340 8407 1 17 . 1 1 50 50 THR H H 50 7.577 7.577 7.802 -0.225 19340 8408 1 17 . 1 1 51 51 LEU N N 51 121.108 121.108 122.918 -1.810 19340 8409 1 17 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.094 -0.303 19340 8410 1 17 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.879 0.374 19340 8411 1 17 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.834 1.151 19340 8412 1 17 . 1 1 51 51 LEU H H 51 8.014 8.014 8.741 -0.727 19340 8413 1 17 . 1 1 52 52 SER N N 52 115.122 115.122 113.765 1.357 19340 8414 1 17 . 1 1 52 52 SER HA H 52 4.154 4.154 4.091 0.063 19340 8415 1 17 . 1 1 52 52 SER CA C 52 61.765 61.765 61.353 0.412 19340 8416 1 17 . 1 1 52 52 SER CB C 52 62.901 62.901 62.880 0.021 19340 8417 1 17 . 1 1 52 52 SER H H 52 8.442 8.442 7.908 0.534 19340 8418 1 17 . 1 1 53 53 ASN N N 53 119.438 119.438 119.016 0.422 19340 8419 1 17 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.556 0.084 19340 8420 1 17 . 1 1 53 53 ASN CA C 53 55.993 55.993 55.818 0.175 19340 8421 1 17 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.717 0.791 19340 8422 1 17 . 1 1 53 53 ASN H H 53 7.705 7.705 7.702 0.003 19340 8423 1 17 . 1 1 54 54 LEU N N 54 120.042 120.042 120.270 -0.228 19340 8424 1 17 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.344 -0.151 19340 8425 1 17 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.143 -0.028 19340 8426 1 17 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.016 0.973 19340 8427 1 17 . 1 1 54 54 LEU H H 54 7.811 7.811 8.512 -0.701 19340 8428 1 17 . 1 1 55 55 GLY N N 55 109.450 109.450 105.979 3.471 19340 8429 1 17 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.161 1.515 19340 8430 1 17 . 1 1 55 55 GLY H H 55 8.074 8.074 8.058 0.016 19340 8431 1 17 . 1 1 56 56 ASP N N 56 121.016 121.016 118.452 2.564 19340 8432 1 17 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.824 -0.067 19340 8433 1 17 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.166 1.645 19340 8434 1 17 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.360 -0.822 19340 8435 1 17 . 1 1 56 56 ASP H H 56 8.144 8.144 7.499 0.645 19340 8436 1 17 . 1 1 57 57 SER N N 57 113.978 113.978 114.762 -0.784 19340 8437 1 17 . 1 1 57 57 SER HA H 57 4.305 4.305 4.464 -0.159 19340 8438 1 17 . 1 1 57 57 SER CA C 57 60.031 60.031 59.872 0.159 19340 8439 1 17 . 1 1 57 57 SER CB C 57 65.212 65.212 64.511 0.701 19340 8440 1 17 . 1 1 57 57 SER H H 57 7.742 7.742 7.772 -0.030 19340 8441 1 17 . 1 1 58 58 GLY N N 58 110.315 110.315 107.771 2.544 19340 8442 1 17 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.924 0.766 19340 8443 1 17 . 1 1 58 58 GLY H H 58 8.306 8.306 7.932 0.374 19340 8444 1 17 . 1 1 59 59 MET N N 59 120.024 120.024 116.867 3.157 19340 8445 1 17 . 1 1 59 59 MET HA H 59 4.416 4.416 4.809 -0.393 19340 8446 1 17 . 1 1 59 59 MET CA C 59 56.597 56.597 54.844 1.753 19340 8447 1 17 . 1 1 59 59 MET CB C 59 34.328 34.328 34.113 0.215 19340 8448 1 17 . 1 1 59 59 MET H H 59 7.686 7.686 7.360 0.326 19340 8449 1 17 . 1 1 60 60 SER N N 60 122.795 122.795 114.445 8.350 19340 8450 1 17 . 1 1 60 60 SER HA H 60 4.601 4.601 4.790 -0.189 19340 8451 1 17 . 1 1 60 60 SER CA C 60 57.598 57.598 54.839 2.759 19340 8452 1 17 . 1 1 60 60 SER CB C 60 62.511 62.511 64.988 -2.477 19340 8453 1 17 . 1 1 60 60 SER H H 60 9.088 9.088 8.274 0.814 19340 8454 1 17 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.528 -0.313 19340 8455 1 17 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.232 2.390 19340 8456 1 17 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.929 0.032 19340 8457 1 17 . 1 1 62 62 ASN N N 62 113.170 113.170 116.439 -3.269 19340 8458 1 17 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.695 -0.318 19340 8459 1 17 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.262 1.154 19340 8460 1 17 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.984 -1.980 19340 8461 1 17 . 1 1 62 62 ASN H H 62 8.389 8.389 8.417 -0.028 19340 8462 1 17 . 1 1 63 63 GLU N N 63 120.222 120.222 120.696 -0.474 19340 8463 1 17 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.120 -0.368 19340 8464 1 17 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.602 1.067 19340 8465 1 17 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.131 8.706 19340 8466 1 17 . 1 1 63 63 GLU H H 63 7.428 7.428 7.565 -0.137 19340 8467 1 17 . 1 1 64 64 ALA N N 64 120.568 120.568 122.089 -1.521 19340 8468 1 17 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.056 0.020 19340 8469 1 17 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.450 -0.630 19340 8470 1 17 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.556 -0.214 19340 8471 1 17 . 1 1 64 64 ALA H H 64 8.640 8.640 7.798 0.842 19340 8472 1 17 . 1 1 65 65 LYS N N 65 115.104 115.104 117.157 -2.053 19340 8473 1 17 . 1 1 65 65 LYS HA H 65 3.623 3.623 3.985 -0.362 19340 8474 1 17 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.276 1.600 19340 8475 1 17 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.152 0.700 19340 8476 1 17 . 1 1 65 65 LYS H H 65 7.472 7.472 8.255 -0.783 19340 8477 1 17 . 1 1 66 66 VAL N N 66 116.911 116.911 119.442 -2.531 19340 8478 1 17 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.948 -0.397 19340 8479 1 17 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.541 2.763 19340 8480 1 17 . 1 1 66 66 VAL CB C 66 31.543 31.543 31.926 -0.383 19340 8481 1 17 . 1 1 66 66 VAL H H 66 7.045 7.045 7.267 -0.222 19340 8482 1 17 . 1 1 67 67 GLU N N 67 120.755 120.755 119.923 0.832 19340 8483 1 17 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.112 -0.070 19340 8484 1 17 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.985 -1.576 19340 8485 1 17 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.747 3.188 19340 8486 1 17 . 1 1 67 67 GLU H H 67 8.439 8.439 8.595 -0.156 19340 8487 1 17 . 1 1 68 68 VAL N N 68 119.280 119.280 115.658 3.622 19340 8488 1 17 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.766 -0.411 19340 8489 1 17 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.278 1.155 19340 8490 1 17 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.037 -0.385 19340 8491 1 17 . 1 1 68 68 VAL H H 68 8.473 8.473 8.039 0.434 19340 8492 1 17 . 1 1 69 69 LEU N N 69 117.578 117.578 119.710 -2.132 19340 8493 1 17 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.001 -0.043 19340 8494 1 17 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.432 0.924 19340 8495 1 17 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.271 0.827 19340 8496 1 17 . 1 1 69 69 LEU H H 69 7.292 7.292 7.543 -0.251 19340 8497 1 17 . 1 1 70 70 LEU N N 70 118.482 118.482 118.853 -0.371 19340 8498 1 17 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.941 0.040 19340 8499 1 17 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.003 0.371 19340 8500 1 17 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.962 0.219 19340 8501 1 17 . 1 1 70 70 LEU H H 70 8.237 8.237 7.578 0.659 19340 8502 1 17 . 1 1 71 71 GLU N N 71 123.582 123.582 120.220 3.362 19340 8503 1 17 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.974 -0.250 19340 8504 1 17 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.303 1.780 19340 8505 1 17 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.657 7.651 19340 8506 1 17 . 1 1 71 71 GLU H H 71 8.915 8.915 7.799 1.116 19340 8507 1 17 . 1 1 72 72 ALA N N 72 123.321 123.321 122.081 1.240 19340 8508 1 17 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.107 -0.043 19340 8509 1 17 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.399 0.301 19340 8510 1 17 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.532 -0.691 19340 8511 1 17 . 1 1 72 72 ALA H H 72 8.994 8.994 8.387 0.607 19340 8512 1 17 . 1 1 73 73 LEU N N 73 118.574 118.574 118.373 0.201 19340 8513 1 17 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.051 -0.093 19340 8514 1 17 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.328 0.909 19340 8515 1 17 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.955 0.393 19340 8516 1 17 . 1 1 73 73 LEU H H 73 8.544 8.544 7.481 1.063 19340 8517 1 17 . 1 1 74 74 THR N N 74 115.785 115.785 116.267 -0.482 19340 8518 1 17 . 1 1 74 74 THR HA H 74 3.578 3.578 3.847 -0.269 19340 8519 1 17 . 1 1 74 74 THR CA C 74 68.727 68.727 67.346 1.381 19340 8520 1 17 . 1 1 74 74 THR CB C 74 67.691 67.691 68.502 -0.811 19340 8521 1 17 . 1 1 74 74 THR H H 74 8.137 8.137 7.802 0.335 19340 8522 1 17 . 1 1 75 75 ALA N N 75 123.543 123.543 123.206 0.337 19340 8523 1 17 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.388 -0.692 19340 8524 1 17 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.868 0.694 19340 8525 1 17 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.496 0.877 19340 8526 1 17 . 1 1 75 75 ALA H H 75 8.585 8.585 7.782 0.803 19340 8527 1 17 . 1 1 76 76 ALA N N 76 118.729 118.729 120.932 -2.203 19340 8528 1 17 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.015 -0.241 19340 8529 1 17 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.369 1.072 19340 8530 1 17 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.571 -0.423 19340 8531 1 17 . 1 1 76 76 ALA H H 76 8.199 8.199 7.217 0.982 19340 8532 1 17 . 1 1 77 77 LEU N N 77 117.321 117.321 119.484 -2.163 19340 8533 1 17 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.804 0.071 19340 8534 1 17 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.941 0.262 19340 8535 1 17 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.710 -1.088 19340 8536 1 17 . 1 1 77 77 LEU H H 77 8.265 8.265 8.797 -0.532 19340 8537 1 17 . 1 1 78 78 GLN N N 78 121.687 121.687 117.699 3.988 19340 8538 1 17 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.014 -0.201 19340 8539 1 17 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.379 0.254 19340 8540 1 17 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.306 4.133 19340 8541 1 17 . 1 1 78 78 GLN H H 78 8.776 8.776 7.934 0.842 19340 8542 1 17 . 1 1 79 79 LEU N N 79 120.042 120.042 120.770 -0.728 19340 8543 1 17 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.135 -0.127 19340 8544 1 17 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.459 0.277 19340 8545 1 17 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.199 0.344 19340 8546 1 17 . 1 1 79 79 LEU H H 79 7.990 7.990 7.317 0.673 19340 8547 1 17 . 1 1 80 80 LEU N N 80 122.157 122.157 120.262 1.895 19340 8548 1 17 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.015 -0.191 19340 8549 1 17 . 1 1 80 80 LEU CA C 80 58.089 58.089 56.979 1.110 19340 8550 1 17 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.923 2.481 19340 8551 1 17 . 1 1 80 80 LEU H H 80 8.454 8.454 8.554 -0.100 19340 8552 1 17 . 1 1 81 81 SER N N 81 114.179 114.179 114.490 -0.311 19340 8553 1 17 . 1 1 81 81 SER HA H 81 3.897 3.897 4.240 -0.343 19340 8554 1 17 . 1 1 81 81 SER CA C 81 61.756 61.756 60.616 1.140 19340 8555 1 17 . 1 1 81 81 SER CB C 81 63.486 63.486 62.936 0.550 19340 8556 1 17 . 1 1 81 81 SER H H 81 8.006 8.006 7.906 0.100 19340 8557 1 17 . 1 1 82 82 SER N N 82 113.392 113.392 114.648 -1.256 19340 8558 1 17 . 1 1 82 82 SER HA H 82 4.718 4.718 4.711 0.007 19340 8559 1 17 . 1 1 82 82 SER CA C 82 57.718 57.718 57.530 0.188 19340 8560 1 17 . 1 1 82 82 SER CB C 82 64.377 64.377 64.442 -0.064 19340 8561 1 17 . 1 1 82 82 SER H H 82 7.160 7.160 7.936 -0.776 19340 8562 1 17 . 1 1 83 83 SER N N 83 117.607 117.607 118.521 -0.914 19340 8563 1 17 . 1 1 83 83 SER HA H 83 4.885 4.885 4.628 0.257 19340 8564 1 17 . 1 1 83 83 SER CA C 83 59.263 59.263 57.844 1.419 19340 8565 1 17 . 1 1 83 83 SER CB C 83 65.352 65.352 64.891 0.461 19340 8566 1 17 . 1 1 83 83 SER H H 83 7.369 7.369 7.728 -0.359 19340 8567 1 17 . 1 1 84 84 THR N N 84 117.656 117.656 114.430 3.226 19340 8568 1 17 . 1 1 84 84 THR HA H 84 4.545 4.545 4.434 0.111 19340 8569 1 17 . 1 1 84 84 THR CA C 84 62.006 62.006 62.237 -0.231 19340 8570 1 17 . 1 1 84 84 THR CB C 84 69.724 69.724 69.276 0.448 19340 8571 1 17 . 1 1 84 84 THR H H 84 8.488 8.488 8.278 0.210 19340 8572 1 17 . 1 1 85 85 LEU N N 85 130.429 130.429 119.499 10.930 19340 8573 1 17 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.112 0.176 19340 8574 1 17 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.274 1.021 19340 8575 1 17 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.414 1.976 19340 8576 1 17 . 1 1 85 85 LEU H H 85 8.878 8.878 7.690 1.188 19340 8577 1 17 . 1 1 86 86 GLY N N 86 112.150 112.150 106.982 5.168 19340 8578 1 17 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.619 -1.817 19340 8579 1 17 . 1 1 86 86 GLY H H 86 7.901 7.901 8.864 -0.963 19340 8580 1 17 . 1 1 87 87 ALA N N 87 122.559 122.559 122.414 0.145 19340 8581 1 17 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.484 -0.200 19340 8582 1 17 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.108 -0.153 19340 8583 1 17 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.721 -0.376 19340 8584 1 17 . 1 1 87 87 ALA H H 87 8.113 8.113 7.593 0.520 19340 8585 1 17 . 1 1 88 88 VAL N N 88 122.375 122.375 117.874 4.501 19340 8586 1 17 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.279 -0.472 19340 8587 1 17 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.683 0.281 19340 8588 1 17 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.792 -0.163 19340 8589 1 17 . 1 1 88 88 VAL H H 88 8.447 8.447 8.312 0.135 19340 8590 1 17 . 1 1 89 89 ASP N N 89 127.408 127.408 119.421 7.987 19340 8591 1 17 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.481 0.377 19340 8592 1 17 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.748 -2.146 19340 8593 1 17 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.772 1.045 19340 8594 1 17 . 1 1 89 89 ASP H H 89 8.570 8.570 8.444 0.126 19340 8595 1 17 . 1 1 90 90 THR N N 90 116.481 116.481 109.832 6.649 19340 8596 1 17 . 1 1 90 90 THR HA H 90 3.953 3.953 4.106 -0.153 19340 8597 1 17 . 1 1 90 90 THR CA C 90 63.879 63.879 64.152 -0.273 19340 8598 1 17 . 1 1 90 90 THR CB C 90 68.833 68.833 69.070 -0.238 19340 8599 1 17 . 1 1 90 90 THR H H 90 8.539 8.539 8.309 0.230 19340 8600 1 17 . 1 1 91 91 THR N N 91 114.681 114.681 115.541 -0.860 19340 8601 1 17 . 1 1 91 91 THR HA H 91 4.182 4.182 4.278 -0.096 19340 8602 1 17 . 1 1 91 91 THR CA C 91 64.750 64.750 64.188 0.562 19340 8603 1 17 . 1 1 91 91 THR CB C 91 69.055 69.055 68.720 0.335 19340 8604 1 17 . 1 1 91 91 THR H H 91 8.335 8.335 7.934 0.401 19340 8605 1 17 . 1 1 92 92 SER N N 92 114.236 114.236 116.999 -2.763 19340 8606 1 17 . 1 1 92 92 SER HA H 92 4.668 4.668 4.613 0.055 19340 8607 1 17 . 1 1 92 92 SER CA C 92 58.460 58.460 58.563 -0.103 19340 8608 1 17 . 1 1 92 92 SER CB C 92 64.433 64.433 63.473 0.960 19340 8609 1 17 . 1 1 92 92 SER H H 92 7.642 7.642 7.625 0.017 19340 8610 1 17 . 1 1 93 93 ILE N N 93 122.128 122.128 123.310 -1.182 19340 8611 1 17 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.760 0.053 19340 8612 1 17 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.233 -0.103 19340 8613 1 17 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.209 0.990 19340 8614 1 17 . 1 1 93 93 ILE H H 93 7.276 7.276 7.175 0.101 19340 8615 1 17 . 1 1 94 94 GLY N N 94 108.426 108.426 107.171 1.255 19340 8616 1 17 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.230 -0.231 19340 8617 1 17 . 1 1 94 94 GLY H H 94 8.756 8.756 8.662 0.094 19340 8618 1 17 . 1 1 95 95 LEU N N 95 123.674 123.674 122.416 1.258 19340 8619 1 17 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.165 0.117 19340 8620 1 17 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.604 0.425 19340 8621 1 17 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.785 -0.523 19340 8622 1 17 . 1 1 95 95 LEU H H 95 7.568 7.568 7.498 0.070 19340 8623 1 17 . 1 1 96 96 THR N N 96 119.717 119.717 117.412 2.305 19340 8624 1 17 . 1 1 96 96 THR HA H 96 3.837 3.837 3.929 -0.092 19340 8625 1 17 . 1 1 96 96 THR CA C 96 66.683 66.683 67.320 -0.638 19340 8626 1 17 . 1 1 96 96 THR CB C 96 67.969 67.969 68.447 -0.478 19340 8627 1 17 . 1 1 96 96 THR H H 96 8.430 8.430 8.680 -0.250 19340 8628 1 17 . 1 1 97 97 SER N N 97 117.285 117.285 116.039 1.246 19340 8629 1 17 . 1 1 97 97 SER HA H 97 4.094 4.094 4.196 -0.102 19340 8630 1 17 . 1 1 97 97 SER CA C 97 62.507 62.507 62.637 -0.130 19340 8631 1 17 . 1 1 97 97 SER CB C 97 62.845 62.845 63.126 -0.280 19340 8632 1 17 . 1 1 97 97 SER H H 97 9.000 9.000 8.727 0.273 19340 8633 1 17 . 1 1 98 98 ASN N N 98 121.846 121.846 119.529 2.317 19340 8634 1 17 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.675 -0.287 19340 8635 1 17 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.173 1.709 19340 8636 1 17 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.628 0.206 19340 8637 1 17 . 1 1 98 98 ASN H H 98 7.939 7.939 7.664 0.275 19340 8638 1 17 . 1 1 99 99 SER N N 99 117.585 117.585 117.226 0.359 19340 8639 1 17 . 1 1 99 99 SER HA H 99 4.204 4.204 4.308 -0.104 19340 8640 1 17 . 1 1 99 99 SER CA C 99 62.886 62.886 62.111 0.775 19340 8641 1 17 . 1 1 99 99 SER CB C 99 62.984 62.984 63.308 -0.324 19340 8642 1 17 . 1 1 99 99 SER H H 99 8.370 8.370 8.304 0.066 19340 8643 1 17 . 1 1 100 100 VAL N N 100 121.524 121.524 119.225 2.299 19340 8644 1 17 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.897 -0.346 19340 8645 1 17 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.370 1.581 19340 8646 1 17 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.444 0.210 19340 8647 1 17 . 1 1 100 100 VAL H H 100 8.565 8.565 8.262 0.303 19340 8648 1 17 . 1 1 101 101 SER N N 101 113.005 113.005 116.792 -3.787 19340 8649 1 17 . 1 1 101 101 SER HA H 101 3.875 3.875 4.100 -0.225 19340 8650 1 17 . 1 1 101 101 SER CA C 101 62.326 62.326 61.859 0.467 19340 8651 1 17 . 1 1 101 101 SER CB C 101 63.263 63.263 62.821 0.442 19340 8652 1 17 . 1 1 101 101 SER H H 101 8.272 8.272 7.871 0.401 19340 8653 1 17 . 1 1 102 102 LYS N N 102 119.357 119.357 121.935 -2.578 19340 8654 1 17 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.083 -0.063 19340 8655 1 17 . 1 1 102 102 LYS CA C 102 59.599 59.599 58.795 0.804 19340 8656 1 17 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.477 0.666 19340 8657 1 17 . 1 1 102 102 LYS H H 102 7.953 7.953 7.948 0.005 19340 8658 1 17 . 1 1 103 103 ALA N N 103 120.882 120.882 122.722 -1.840 19340 8659 1 17 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.003 0.240 19340 8660 1 17 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.877 -0.290 19340 8661 1 17 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.315 2.311 19340 8662 1 17 . 1 1 103 103 ALA H H 103 8.049 8.049 8.289 -0.240 19340 8663 1 17 . 1 1 104 104 VAL N N 104 116.191 116.191 118.477 -2.286 19340 8664 1 17 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.401 -0.152 19340 8665 1 17 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.657 0.457 19340 8666 1 17 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.748 -0.734 19340 8667 1 17 . 1 1 104 104 VAL H H 104 8.572 8.572 8.202 0.370 19340 8668 1 17 . 1 1 105 105 ALA N N 105 121.884 121.884 120.650 1.234 19340 8669 1 17 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.299 -0.408 19340 8670 1 17 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.195 1.108 19340 8671 1 17 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.415 0.067 19340 8672 1 17 . 1 1 105 105 ALA H H 105 8.347 8.347 7.778 0.569 19340 8673 1 17 . 1 1 106 106 GLN N N 106 113.657 113.657 118.745 -5.088 19340 8674 1 17 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.140 -0.109 19340 8675 1 17 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.124 0.224 19340 8676 1 17 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.071 6.176 19340 8677 1 17 . 1 1 106 106 GLN H H 106 7.838 7.838 7.881 -0.043 19340 8678 1 17 . 1 1 107 107 ALA N N 107 117.818 117.818 120.229 -2.411 19340 8679 1 17 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.324 -0.070 19340 8680 1 17 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.064 0.091 19340 8681 1 17 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.149 3.009 19340 8682 1 17 . 1 1 107 107 ALA H H 107 8.145 8.145 7.947 0.198 19340 8683 1 17 . 1 1 108 108 LEU N N 108 113.428 113.428 117.634 -4.206 19340 8684 1 17 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.282 0.140 19340 8685 1 17 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.166 -0.762 19340 8686 1 17 . 1 1 108 108 LEU CB C 108 42.655 42.655 43.016 -0.361 19340 8687 1 17 . 1 1 108 108 LEU H H 108 8.341 8.341 7.752 0.589 19340 8688 1 18 . 1 1 2 2 SER N N 2 117.112 117.112 115.746 1.366 19340 8689 1 18 . 1 1 2 2 SER HA H 2 4.500 4.500 4.253 0.247 19340 8690 1 18 . 1 1 2 2 SER CA C 2 58.547 58.547 57.928 0.619 19340 8691 1 18 . 1 1 2 2 SER CB C 2 63.820 63.820 64.434 -0.614 19340 8692 1 18 . 1 1 2 2 SER H H 2 8.748 8.748 8.007 0.741 19340 8693 1 18 . 1 1 3 3 PHE N N 3 123.783 123.783 122.868 0.915 19340 8694 1 18 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.491 -0.270 19340 8695 1 18 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.197 1.894 19340 8696 1 18 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.918 -0.051 19340 8697 1 18 . 1 1 3 3 PHE H H 3 8.398 8.398 8.864 -0.466 19340 8698 1 18 . 1 1 4 4 GLY N N 4 106.435 106.435 107.694 -1.259 19340 8699 1 18 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.762 0.457 19340 8700 1 18 . 1 1 4 4 GLY H H 4 8.699 8.699 8.241 0.458 19340 8701 1 18 . 1 1 5 5 LEU N N 5 121.041 121.041 119.170 1.871 19340 8702 1 18 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.240 -0.109 19340 8703 1 18 . 1 1 5 5 LEU CA C 5 57.606 57.606 56.951 0.655 19340 8704 1 18 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.540 0.251 19340 8705 1 18 . 1 1 5 5 LEU H H 5 7.590 7.590 7.458 0.132 19340 8706 1 18 . 1 1 6 6 VAL N N 6 118.980 118.980 114.282 4.698 19340 8707 1 18 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.727 -0.026 19340 8708 1 18 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.510 0.258 19340 8709 1 18 . 1 1 6 6 VAL CB C 6 32.323 32.323 32.112 0.211 19340 8710 1 18 . 1 1 6 6 VAL H H 6 7.630 7.630 7.459 0.171 19340 8711 1 18 . 1 1 7 7 LEU N N 7 120.127 120.127 117.352 2.775 19340 8712 1 18 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.253 0.007 19340 8713 1 18 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.566 0.505 19340 8714 1 18 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.721 0.070 19340 8715 1 18 . 1 1 7 7 LEU H H 7 8.171 8.171 7.549 0.622 19340 8716 1 18 . 1 1 8 8 ASN N N 8 114.592 114.592 115.374 -0.782 19340 8717 1 18 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.764 0.060 19340 8718 1 18 . 1 1 8 8 ASN CA C 8 52.723 52.723 52.881 -0.158 19340 8719 1 18 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.767 -0.426 19340 8720 1 18 . 1 1 8 8 ASN H H 8 7.602 7.602 7.568 0.034 19340 8721 1 18 . 1 1 9 9 SER N N 9 116.029 116.029 116.878 -0.849 19340 8722 1 18 . 1 1 9 9 SER HA H 9 4.690 4.690 4.506 0.184 19340 8723 1 18 . 1 1 9 9 SER CA C 9 56.675 56.675 57.769 -1.094 19340 8724 1 18 . 1 1 9 9 SER CB C 9 64.210 64.210 63.663 0.547 19340 8725 1 18 . 1 1 9 9 SER H H 9 7.186 7.186 7.694 -0.508 19340 8726 1 18 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.476 -0.037 19340 8727 1 18 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.458 0.249 19340 8728 1 18 . 1 1 10 10 PRO CB C 10 32.044 32.044 31.989 0.055 19340 8729 1 18 . 1 1 11 11 ASN N N 11 114.702 114.702 112.318 2.384 19340 8730 1 18 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.817 0.242 19340 8731 1 18 . 1 1 11 11 ASN CA C 11 52.766 52.766 52.136 0.630 19340 8732 1 18 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.181 2.106 19340 8733 1 18 . 1 1 11 11 ASN H H 11 8.150 8.150 7.741 0.409 19340 8734 1 18 . 1 1 12 12 GLY N N 12 122.938 122.938 109.104 13.834 19340 8735 1 18 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.048 -1.927 19340 8736 1 18 . 1 1 12 12 GLY H H 12 7.324 7.324 7.720 -0.396 19340 8737 1 18 . 1 1 13 13 LEU N N 13 124.662 124.662 119.486 5.176 19340 8738 1 18 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.592 -0.863 19340 8739 1 18 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.170 2.850 19340 8740 1 18 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.496 1.189 19340 8741 1 18 . 1 1 13 13 LEU H H 13 9.253 9.253 8.117 1.136 19340 8742 1 18 . 1 1 14 14 ARG N N 14 113.071 113.071 119.294 -6.223 19340 8743 1 18 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.251 0.037 19340 8744 1 18 . 1 1 14 14 ARG CA C 14 56.390 56.390 56.908 -0.518 19340 8745 1 18 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.397 -0.358 19340 8746 1 18 . 1 1 14 14 ARG H H 14 8.168 8.168 7.671 0.497 19340 8747 1 18 . 1 1 15 15 SER N N 15 118.055 118.055 114.672 3.383 19340 8748 1 18 . 1 1 15 15 SER HA H 15 4.690 4.690 4.827 -0.137 19340 8749 1 18 . 1 1 15 15 SER CA C 15 57.520 57.520 57.391 0.129 19340 8750 1 18 . 1 1 15 15 SER CB C 15 65.463 65.463 64.764 0.699 19340 8751 1 18 . 1 1 15 15 SER H H 15 8.264 8.264 7.657 0.607 19340 8752 1 18 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.296 0.081 19340 8753 1 18 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.010 0.344 19340 8754 1 18 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.941 -0.175 19340 8755 1 18 . 1 1 17 17 GLN N N 17 117.374 117.374 117.692 -0.318 19340 8756 1 18 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.035 0.080 19340 8757 1 18 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.801 0.470 19340 8758 1 18 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.297 0.597 19340 8759 1 18 . 1 1 17 17 GLN H H 17 8.661 8.661 8.796 -0.135 19340 8760 1 18 . 1 1 18 18 ALA N N 18 122.904 122.904 122.300 0.604 19340 8761 1 18 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.046 -0.177 19340 8762 1 18 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.954 0.435 19340 8763 1 18 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.335 0.982 19340 8764 1 18 . 1 1 18 18 ALA H H 18 7.785 7.785 7.795 -0.010 19340 8765 1 18 . 1 1 19 19 LYS N N 19 116.947 116.947 119.432 -2.485 19340 8766 1 18 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.065 -0.313 19340 8767 1 18 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.066 1.664 19340 8768 1 18 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.128 -0.529 19340 8769 1 18 . 1 1 19 19 LYS H H 19 7.410 7.410 7.429 -0.019 19340 8770 1 18 . 1 1 20 20 ALA N N 20 119.887 119.887 122.170 -2.283 19340 8771 1 18 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.018 0.153 19340 8772 1 18 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.098 -0.089 19340 8773 1 18 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.479 -0.192 19340 8774 1 18 . 1 1 20 20 ALA H H 20 7.362 7.362 7.662 -0.300 19340 8775 1 18 . 1 1 21 21 ARG N N 21 118.182 118.182 118.640 -0.458 19340 8776 1 18 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.014 0.034 19340 8777 1 18 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.290 1.302 19340 8778 1 18 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.248 1.768 19340 8779 1 18 . 1 1 21 21 ARG H H 21 7.502 7.502 7.593 -0.091 19340 8780 1 18 . 1 1 22 22 ILE N N 22 122.484 122.484 119.965 2.519 19340 8781 1 18 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.705 -0.160 19340 8782 1 18 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.315 0.695 19340 8783 1 18 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.536 0.468 19340 8784 1 18 . 1 1 22 22 ILE H H 22 9.258 9.258 8.001 1.257 19340 8785 1 18 . 1 1 23 23 ASN N N 23 119.721 119.721 118.770 0.951 19340 8786 1 18 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.334 -0.057 19340 8787 1 18 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.772 0.386 19340 8788 1 18 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.243 0.708 19340 8789 1 18 . 1 1 23 23 ASN H H 23 8.395 8.395 7.946 0.449 19340 8790 1 18 . 1 1 24 24 ASN N N 24 117.554 117.554 118.576 -1.022 19340 8791 1 18 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.491 0.004 19340 8792 1 18 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.810 0.649 19340 8793 1 18 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.091 -0.137 19340 8794 1 18 . 1 1 24 24 ASN H H 24 8.002 8.002 7.716 0.286 19340 8795 1 18 . 1 1 25 25 LEU N N 25 123.367 123.367 121.922 1.445 19340 8796 1 18 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.150 0.004 19340 8797 1 18 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.175 -0.258 19340 8798 1 18 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.788 1.145 19340 8799 1 18 . 1 1 25 25 LEU H H 25 8.235 8.235 7.666 0.569 19340 8800 1 18 . 1 1 26 26 ALA N N 26 123.137 123.137 120.111 3.026 19340 8801 1 18 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.210 -0.341 19340 8802 1 18 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.803 0.905 19340 8803 1 18 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.141 -1.191 19340 8804 1 18 . 1 1 26 26 ALA H H 26 9.068 9.068 8.395 0.673 19340 8805 1 18 . 1 1 27 27 SER N N 27 113.809 113.809 113.038 0.771 19340 8806 1 18 . 1 1 27 27 SER HA H 27 4.182 4.182 4.447 -0.265 19340 8807 1 18 . 1 1 27 27 SER CA C 27 62.075 62.075 60.057 2.018 19340 8808 1 18 . 1 1 27 27 SER CB C 27 62.929 62.929 64.102 -1.173 19340 8809 1 18 . 1 1 27 27 SER H H 27 8.004 8.004 7.439 0.565 19340 8810 1 18 . 1 1 28 28 ALA N N 28 124.782 124.782 125.686 -0.904 19340 8811 1 18 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.062 0.141 19340 8812 1 18 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.168 0.092 19340 8813 1 18 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.434 -0.732 19340 8814 1 18 . 1 1 28 28 ALA H H 28 7.970 7.970 7.837 0.133 19340 8815 1 18 . 1 1 29 29 LEU N N 29 117.907 117.907 117.755 0.152 19340 8816 1 18 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.856 -0.032 19340 8817 1 18 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.138 -0.143 19340 8818 1 18 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.400 1.127 19340 8819 1 18 . 1 1 29 29 LEU H H 29 8.960 8.960 8.750 0.210 19340 8820 1 18 . 1 1 30 30 SER N N 30 112.859 112.859 112.248 0.611 19340 8821 1 18 . 1 1 30 30 SER HA H 30 4.076 4.076 4.066 0.010 19340 8822 1 18 . 1 1 30 30 SER CA C 30 61.998 61.998 60.807 1.191 19340 8823 1 18 . 1 1 30 30 SER CB C 30 63.012 63.012 62.935 0.077 19340 8824 1 18 . 1 1 30 30 SER H H 30 7.951 7.951 7.961 -0.010 19340 8825 1 18 . 1 1 31 31 THR N N 31 109.820 109.820 115.989 -6.169 19340 8826 1 18 . 1 1 31 31 THR HA H 31 4.472 4.472 4.228 0.244 19340 8827 1 18 . 1 1 31 31 THR CA C 31 62.731 62.731 64.592 -1.861 19340 8828 1 18 . 1 1 31 31 THR CB C 31 69.362 69.362 69.143 0.219 19340 8829 1 18 . 1 1 31 31 THR H H 31 7.164 7.164 7.473 -0.309 19340 8830 1 18 . 1 1 32 32 ALA N N 32 122.926 122.926 122.695 0.231 19340 8831 1 18 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.348 0.079 19340 8832 1 18 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.401 -0.316 19340 8833 1 18 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.809 0.817 19340 8834 1 18 . 1 1 32 32 ALA H H 32 7.997 7.997 7.627 0.370 19340 8835 1 18 . 1 1 33 33 VAL N N 33 116.339 116.339 117.421 -1.082 19340 8836 1 18 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.077 0.384 19340 8837 1 18 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.609 -1.008 19340 8838 1 18 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.895 0.734 19340 8839 1 18 . 1 1 33 33 VAL H H 33 7.550 7.550 8.035 -0.485 19340 8840 1 18 . 1 1 34 34 GLY N N 34 113.114 113.114 114.144 -1.030 19340 8841 1 18 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.894 -0.625 19340 8842 1 18 . 1 1 34 34 GLY H H 34 7.886 7.886 8.549 -0.663 19340 8843 1 18 . 1 1 35 35 ARG N N 35 120.709 120.709 120.267 0.442 19340 8844 1 18 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.317 0.066 19340 8845 1 18 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.065 0.835 19340 8846 1 18 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.696 0.176 19340 8847 1 18 . 1 1 35 35 ARG H H 35 8.773 8.773 8.444 0.329 19340 8848 1 18 . 1 1 36 36 ASN N N 36 114.578 114.578 116.837 -2.259 19340 8849 1 18 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.738 0.086 19340 8850 1 18 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.291 0.803 19340 8851 1 18 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.227 0.390 19340 8852 1 18 . 1 1 36 36 ASN H H 36 8.628 8.628 7.986 0.642 19340 8853 1 18 . 1 1 37 37 GLY N N 37 108.462 108.462 110.120 -1.658 19340 8854 1 18 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.869 -1.152 19340 8855 1 18 . 1 1 37 37 GLY H H 37 7.880 7.880 8.004 -0.124 19340 8856 1 18 . 1 1 38 38 VAL N N 38 121.761 121.761 120.654 1.107 19340 8857 1 18 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.267 0.110 19340 8858 1 18 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.487 -0.421 19340 8859 1 18 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.155 -0.384 19340 8860 1 18 . 1 1 38 38 VAL H H 38 8.565 8.565 7.763 0.802 19340 8861 1 18 . 1 1 39 39 ASP N N 39 127.585 127.585 128.043 -0.458 19340 8862 1 18 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.900 -0.249 19340 8863 1 18 . 1 1 39 39 ASP CA C 39 53.845 53.845 52.839 1.006 19340 8864 1 18 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.865 0.564 19340 8865 1 18 . 1 1 39 39 ASP H H 39 9.007 9.007 8.550 0.457 19340 8866 1 18 . 1 1 40 40 VAL N N 40 129.021 129.021 126.096 2.925 19340 8867 1 18 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.833 -0.338 19340 8868 1 18 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.769 1.630 19340 8869 1 18 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.693 0.658 19340 8870 1 18 . 1 1 40 40 VAL H H 40 8.632 8.632 8.479 0.153 19340 8871 1 18 . 1 1 41 41 ASN N N 41 122.301 122.301 118.257 4.044 19340 8872 1 18 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.354 0.096 19340 8873 1 18 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.736 0.276 19340 8874 1 18 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.158 -0.321 19340 8875 1 18 . 1 1 41 41 ASN H H 41 8.673 8.673 8.586 0.087 19340 8876 1 18 . 1 1 42 42 ALA N N 42 124.313 124.313 122.611 1.702 19340 8877 1 18 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.259 -0.061 19340 8878 1 18 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.608 0.262 19340 8879 1 18 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.432 0.245 19340 8880 1 18 . 1 1 42 42 ALA H H 42 8.420 8.420 7.477 0.943 19340 8881 1 18 . 1 1 43 43 PHE N N 43 119.198 119.198 119.726 -0.528 19340 8882 1 18 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.203 0.280 19340 8883 1 18 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.118 -0.951 19340 8884 1 18 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.526 0.647 19340 8885 1 18 . 1 1 43 43 PHE H H 43 8.611 8.611 8.827 -0.216 19340 8886 1 18 . 1 1 44 44 THR N N 44 116.700 116.700 114.193 2.507 19340 8887 1 18 . 1 1 44 44 THR HA H 44 4.349 4.349 3.744 0.605 19340 8888 1 18 . 1 1 44 44 THR CA C 44 68.443 68.443 65.705 2.738 19340 8889 1 18 . 1 1 44 44 THR CB C 44 68.248 68.248 68.349 -0.101 19340 8890 1 18 . 1 1 44 44 THR H H 44 8.881 8.881 8.742 0.139 19340 8891 1 18 . 1 1 45 45 SER N N 45 116.018 116.018 116.913 -0.895 19340 8892 1 18 . 1 1 45 45 SER HA H 45 4.117 4.117 4.185 -0.068 19340 8893 1 18 . 1 1 45 45 SER CA C 45 62.507 62.507 62.321 0.186 19340 8894 1 18 . 1 1 45 45 SER CB C 45 62.706 62.706 62.995 -0.289 19340 8895 1 18 . 1 1 45 45 SER H H 45 8.020 8.020 7.730 0.290 19340 8896 1 18 . 1 1 46 46 GLY N N 46 108.460 108.460 108.912 -0.452 19340 8897 1 18 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.759 0.347 19340 8898 1 18 . 1 1 46 46 GLY H H 46 7.871 7.871 7.727 0.144 19340 8899 1 18 . 1 1 47 47 LEU N N 47 123.148 123.148 122.245 0.903 19340 8900 1 18 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.977 -0.147 19340 8901 1 18 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.393 0.947 19340 8902 1 18 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.409 1.023 19340 8903 1 18 . 1 1 47 47 LEU H H 47 8.221 8.221 7.355 0.866 19340 8904 1 18 . 1 1 48 48 ARG N N 48 118.694 118.694 119.053 -0.359 19340 8905 1 18 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.950 -0.103 19340 8906 1 18 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.842 0.396 19340 8907 1 18 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.793 0.552 19340 8908 1 18 . 1 1 48 48 ARG H H 48 8.646 8.646 8.357 0.289 19340 8909 1 18 . 1 1 49 49 ALA N N 49 122.114 122.114 120.304 1.810 19340 8910 1 18 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.286 -0.127 19340 8911 1 18 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.946 0.262 19340 8912 1 18 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.179 -0.087 19340 8913 1 18 . 1 1 49 49 ALA H H 49 8.078 8.078 7.600 0.478 19340 8914 1 18 . 1 1 50 50 THR N N 50 115.708 115.708 116.226 -0.518 19340 8915 1 18 . 1 1 50 50 THR HA H 50 3.696 3.696 4.135 -0.439 19340 8916 1 18 . 1 1 50 50 THR CA C 50 67.692 67.692 65.904 1.788 19340 8917 1 18 . 1 1 50 50 THR CB C 50 68.599 68.599 68.649 -0.050 19340 8918 1 18 . 1 1 50 50 THR H H 50 7.577 7.577 7.539 0.038 19340 8919 1 18 . 1 1 51 51 LEU N N 51 121.108 121.108 123.241 -2.133 19340 8920 1 18 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.175 -0.384 19340 8921 1 18 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.416 0.837 19340 8922 1 18 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.737 1.249 19340 8923 1 18 . 1 1 51 51 LEU H H 51 8.014 8.014 8.743 -0.729 19340 8924 1 18 . 1 1 52 52 SER N N 52 115.122 115.122 114.504 0.618 19340 8925 1 18 . 1 1 52 52 SER HA H 52 4.154 4.154 4.100 0.054 19340 8926 1 18 . 1 1 52 52 SER CA C 52 61.765 61.765 61.474 0.291 19340 8927 1 18 . 1 1 52 52 SER CB C 52 62.901 62.901 62.817 0.084 19340 8928 1 18 . 1 1 52 52 SER H H 52 8.442 8.442 7.956 0.486 19340 8929 1 18 . 1 1 53 53 ASN N N 53 119.438 119.438 119.794 -0.356 19340 8930 1 18 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.505 0.135 19340 8931 1 18 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.197 -0.204 19340 8932 1 18 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.811 0.697 19340 8933 1 18 . 1 1 53 53 ASN H H 53 7.705 7.705 7.683 0.022 19340 8934 1 18 . 1 1 54 54 LEU N N 54 120.042 120.042 120.639 -0.597 19340 8935 1 18 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.220 -0.027 19340 8936 1 18 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.514 -0.398 19340 8937 1 18 . 1 1 54 54 LEU CB C 54 42.989 42.989 41.931 1.058 19340 8938 1 18 . 1 1 54 54 LEU H H 54 7.811 7.811 8.402 -0.591 19340 8939 1 18 . 1 1 55 55 GLY N N 55 109.450 109.450 105.588 3.862 19340 8940 1 18 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.373 1.303 19340 8941 1 18 . 1 1 55 55 GLY H H 55 8.074 8.074 8.200 -0.126 19340 8942 1 18 . 1 1 56 56 ASP N N 56 121.016 121.016 118.190 2.826 19340 8943 1 18 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.824 -0.067 19340 8944 1 18 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.375 1.436 19340 8945 1 18 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.157 -0.619 19340 8946 1 18 . 1 1 56 56 ASP H H 56 8.144 8.144 7.443 0.701 19340 8947 1 18 . 1 1 57 57 SER N N 57 113.978 113.978 115.131 -1.153 19340 8948 1 18 . 1 1 57 57 SER HA H 57 4.305 4.305 4.422 -0.117 19340 8949 1 18 . 1 1 57 57 SER CA C 57 60.031 60.031 59.945 0.086 19340 8950 1 18 . 1 1 57 57 SER CB C 57 65.212 65.212 64.551 0.661 19340 8951 1 18 . 1 1 57 57 SER H H 57 7.742 7.742 7.856 -0.114 19340 8952 1 18 . 1 1 58 58 GLY N N 58 110.315 110.315 107.769 2.546 19340 8953 1 18 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.947 0.743 19340 8954 1 18 . 1 1 58 58 GLY H H 58 8.306 8.306 7.865 0.441 19340 8955 1 18 . 1 1 59 59 MET N N 59 120.024 120.024 117.008 3.016 19340 8956 1 18 . 1 1 59 59 MET HA H 59 4.416 4.416 4.818 -0.402 19340 8957 1 18 . 1 1 59 59 MET CA C 59 56.597 56.597 54.759 1.838 19340 8958 1 18 . 1 1 59 59 MET CB C 59 34.328 34.328 34.180 0.148 19340 8959 1 18 . 1 1 59 59 MET H H 59 7.686 7.686 7.312 0.374 19340 8960 1 18 . 1 1 60 60 SER N N 60 122.795 122.795 114.303 8.492 19340 8961 1 18 . 1 1 60 60 SER HA H 60 4.601 4.601 4.782 -0.181 19340 8962 1 18 . 1 1 60 60 SER CA C 60 57.598 57.598 55.130 2.468 19340 8963 1 18 . 1 1 60 60 SER CB C 60 62.511 62.511 65.092 -2.581 19340 8964 1 18 . 1 1 60 60 SER H H 60 9.088 9.088 8.277 0.811 19340 8965 1 18 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.545 -0.330 19340 8966 1 18 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.312 2.310 19340 8967 1 18 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.893 0.068 19340 8968 1 18 . 1 1 62 62 ASN N N 62 113.170 113.170 116.834 -3.664 19340 8969 1 18 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.798 -0.421 19340 8970 1 18 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.042 1.374 19340 8971 1 18 . 1 1 62 62 ASN CB C 62 38.004 38.004 40.111 -2.107 19340 8972 1 18 . 1 1 62 62 ASN H H 62 8.389 8.389 8.405 -0.016 19340 8973 1 18 . 1 1 63 63 GLU N N 63 120.222 120.222 120.703 -0.481 19340 8974 1 18 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.044 -0.292 19340 8975 1 18 . 1 1 63 63 GLU CA C 63 59.668 59.668 59.076 0.592 19340 8976 1 18 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.521 8.316 19340 8977 1 18 . 1 1 63 63 GLU H H 63 7.428 7.428 7.665 -0.237 19340 8978 1 18 . 1 1 64 64 ALA N N 64 120.568 120.568 121.897 -1.329 19340 8979 1 18 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.060 0.016 19340 8980 1 18 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.520 -0.700 19340 8981 1 18 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.508 -0.166 19340 8982 1 18 . 1 1 64 64 ALA H H 64 8.640 8.640 7.796 0.844 19340 8983 1 18 . 1 1 65 65 LYS N N 65 115.104 115.104 116.316 -1.212 19340 8984 1 18 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.043 -0.420 19340 8985 1 18 . 1 1 65 65 LYS CA C 65 60.876 60.876 58.712 2.164 19340 8986 1 18 . 1 1 65 65 LYS CB C 65 32.852 32.852 31.951 0.901 19340 8987 1 18 . 1 1 65 65 LYS H H 65 7.472 7.472 8.347 -0.875 19340 8988 1 18 . 1 1 66 66 VAL N N 66 116.911 116.911 119.316 -2.405 19340 8989 1 18 . 1 1 66 66 VAL HA H 66 3.551 3.551 4.042 -0.491 19340 8990 1 18 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.592 2.712 19340 8991 1 18 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.090 -0.547 19340 8992 1 18 . 1 1 66 66 VAL H H 66 7.045 7.045 7.298 -0.253 19340 8993 1 18 . 1 1 67 67 GLU N N 67 120.755 120.755 119.900 0.855 19340 8994 1 18 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.166 -0.124 19340 8995 1 18 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.149 -0.740 19340 8996 1 18 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.533 3.402 19340 8997 1 18 . 1 1 67 67 GLU H H 67 8.439 8.439 8.525 -0.086 19340 8998 1 18 . 1 1 68 68 VAL N N 68 119.280 119.280 116.438 2.842 19340 8999 1 18 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.631 -0.276 19340 9000 1 18 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.023 1.410 19340 9001 1 18 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.245 -0.594 19340 9002 1 18 . 1 1 68 68 VAL H H 68 8.473 8.473 8.047 0.426 19340 9003 1 18 . 1 1 69 69 LEU N N 69 117.578 117.578 119.287 -1.709 19340 9004 1 18 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.024 -0.066 19340 9005 1 18 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.428 0.929 19340 9006 1 18 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.402 0.696 19340 9007 1 18 . 1 1 69 69 LEU H H 69 7.292 7.292 7.582 -0.290 19340 9008 1 18 . 1 1 70 70 LEU N N 70 118.482 118.482 118.769 -0.287 19340 9009 1 18 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.968 0.013 19340 9010 1 18 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.318 0.056 19340 9011 1 18 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.767 0.414 19340 9012 1 18 . 1 1 70 70 LEU H H 70 8.237 8.237 7.578 0.659 19340 9013 1 18 . 1 1 71 71 GLU N N 71 123.582 123.582 120.147 3.435 19340 9014 1 18 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.981 -0.257 19340 9015 1 18 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.392 1.691 19340 9016 1 18 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.513 7.795 19340 9017 1 18 . 1 1 71 71 GLU H H 71 8.915 8.915 7.736 1.179 19340 9018 1 18 . 1 1 72 72 ALA N N 72 123.321 123.321 122.573 0.748 19340 9019 1 18 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.146 -0.083 19340 9020 1 18 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.470 0.230 19340 9021 1 18 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.205 -0.364 19340 9022 1 18 . 1 1 72 72 ALA H H 72 8.994 8.994 8.151 0.843 19340 9023 1 18 . 1 1 73 73 LEU N N 73 118.574 118.574 119.202 -0.628 19340 9024 1 18 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.068 -0.110 19340 9025 1 18 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.305 0.931 19340 9026 1 18 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.894 0.454 19340 9027 1 18 . 1 1 73 73 LEU H H 73 8.544 8.544 7.835 0.709 19340 9028 1 18 . 1 1 74 74 THR N N 74 115.785 115.785 115.989 -0.204 19340 9029 1 18 . 1 1 74 74 THR HA H 74 3.578 3.578 3.857 -0.279 19340 9030 1 18 . 1 1 74 74 THR CA C 74 68.727 68.727 67.322 1.405 19340 9031 1 18 . 1 1 74 74 THR CB C 74 67.691 67.691 68.514 -0.823 19340 9032 1 18 . 1 1 74 74 THR H H 74 8.137 8.137 8.187 -0.050 19340 9033 1 18 . 1 1 75 75 ALA N N 75 123.543 123.543 122.889 0.654 19340 9034 1 18 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.066 -0.370 19340 9035 1 18 . 1 1 75 75 ALA CA C 75 55.562 55.562 55.102 0.459 19340 9036 1 18 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.309 1.064 19340 9037 1 18 . 1 1 75 75 ALA H H 75 8.585 8.585 7.703 0.882 19340 9038 1 18 . 1 1 76 76 ALA N N 76 118.729 118.729 120.961 -2.232 19340 9039 1 18 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.017 -0.243 19340 9040 1 18 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.429 1.012 19340 9041 1 18 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.578 -0.430 19340 9042 1 18 . 1 1 76 76 ALA H H 76 8.199 8.199 7.215 0.984 19340 9043 1 18 . 1 1 77 77 LEU N N 77 117.321 117.321 119.298 -1.977 19340 9044 1 18 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.821 0.054 19340 9045 1 18 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.795 0.407 19340 9046 1 18 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.725 -1.103 19340 9047 1 18 . 1 1 77 77 LEU H H 77 8.265 8.265 8.763 -0.498 19340 9048 1 18 . 1 1 78 78 GLN N N 78 121.687 121.687 117.907 3.780 19340 9049 1 18 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.021 -0.208 19340 9050 1 18 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.273 0.360 19340 9051 1 18 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.051 4.388 19340 9052 1 18 . 1 1 78 78 GLN H H 78 8.776 8.776 8.052 0.724 19340 9053 1 18 . 1 1 79 79 LEU N N 79 120.042 120.042 120.135 -0.093 19340 9054 1 18 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.168 -0.160 19340 9055 1 18 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.345 0.391 19340 9056 1 18 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.160 0.383 19340 9057 1 18 . 1 1 79 79 LEU H H 79 7.990 7.990 7.314 0.676 19340 9058 1 18 . 1 1 80 80 LEU N N 80 122.157 122.157 120.423 1.734 19340 9059 1 18 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.011 -0.187 19340 9060 1 18 . 1 1 80 80 LEU CA C 80 58.089 58.089 56.901 1.188 19340 9061 1 18 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.968 2.437 19340 9062 1 18 . 1 1 80 80 LEU H H 80 8.454 8.454 8.548 -0.094 19340 9063 1 18 . 1 1 81 81 SER N N 81 114.179 114.179 114.836 -0.657 19340 9064 1 18 . 1 1 81 81 SER HA H 81 3.897 3.897 4.234 -0.337 19340 9065 1 18 . 1 1 81 81 SER CA C 81 61.756 61.756 60.719 1.037 19340 9066 1 18 . 1 1 81 81 SER CB C 81 63.486 63.486 62.975 0.511 19340 9067 1 18 . 1 1 81 81 SER H H 81 8.006 8.006 7.913 0.093 19340 9068 1 18 . 1 1 82 82 SER N N 82 113.392 113.392 114.452 -1.060 19340 9069 1 18 . 1 1 82 82 SER HA H 82 4.718 4.718 4.658 0.060 19340 9070 1 18 . 1 1 82 82 SER CA C 82 57.718 57.718 57.691 0.027 19340 9071 1 18 . 1 1 82 82 SER CB C 82 64.377 64.377 64.294 0.083 19340 9072 1 18 . 1 1 82 82 SER H H 82 7.160 7.160 8.157 -0.997 19340 9073 1 18 . 1 1 83 83 SER N N 83 117.607 117.607 119.536 -1.929 19340 9074 1 18 . 1 1 83 83 SER HA H 83 4.885 4.885 4.659 0.226 19340 9075 1 18 . 1 1 83 83 SER CA C 83 59.263 59.263 58.500 0.763 19340 9076 1 18 . 1 1 83 83 SER CB C 83 65.352 65.352 64.467 0.885 19340 9077 1 18 . 1 1 83 83 SER H H 83 7.369 7.369 7.871 -0.502 19340 9078 1 18 . 1 1 84 84 THR N N 84 117.656 117.656 115.665 1.991 19340 9079 1 18 . 1 1 84 84 THR HA H 84 4.545 4.545 4.459 0.086 19340 9080 1 18 . 1 1 84 84 THR CA C 84 62.006 62.006 62.429 -0.423 19340 9081 1 18 . 1 1 84 84 THR CB C 84 69.724 69.724 69.302 0.423 19340 9082 1 18 . 1 1 84 84 THR H H 84 8.488 8.488 8.083 0.405 19340 9083 1 18 . 1 1 85 85 LEU N N 85 130.429 130.429 119.841 10.588 19340 9084 1 18 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.090 0.198 19340 9085 1 18 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.208 1.087 19340 9086 1 18 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.516 1.874 19340 9087 1 18 . 1 1 85 85 LEU H H 85 8.878 8.878 7.683 1.195 19340 9088 1 18 . 1 1 86 86 GLY N N 86 112.150 112.150 107.400 4.750 19340 9089 1 18 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.590 -1.788 19340 9090 1 18 . 1 1 86 86 GLY H H 86 7.901 7.901 8.914 -1.013 19340 9091 1 18 . 1 1 87 87 ALA N N 87 122.559 122.559 122.578 -0.019 19340 9092 1 18 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.495 -0.211 19340 9093 1 18 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.130 -0.175 19340 9094 1 18 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.702 -0.357 19340 9095 1 18 . 1 1 87 87 ALA H H 87 8.113 8.113 7.612 0.501 19340 9096 1 18 . 1 1 88 88 VAL N N 88 122.375 122.375 118.229 4.146 19340 9097 1 18 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.271 -0.464 19340 9098 1 18 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.781 0.184 19340 9099 1 18 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.833 -0.204 19340 9100 1 18 . 1 1 88 88 VAL H H 88 8.447 8.447 8.332 0.115 19340 9101 1 18 . 1 1 89 89 ASP N N 89 127.408 127.408 119.407 8.001 19340 9102 1 18 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.458 0.400 19340 9103 1 18 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.532 -1.929 19340 9104 1 18 . 1 1 89 89 ASP CB C 89 40.817 40.817 40.104 0.713 19340 9105 1 18 . 1 1 89 89 ASP H H 89 8.570 8.570 8.420 0.150 19340 9106 1 18 . 1 1 90 90 THR N N 90 116.481 116.481 109.998 6.483 19340 9107 1 18 . 1 1 90 90 THR HA H 90 3.953 3.953 4.092 -0.139 19340 9108 1 18 . 1 1 90 90 THR CA C 90 63.879 63.879 64.141 -0.262 19340 9109 1 18 . 1 1 90 90 THR CB C 90 68.833 68.833 69.091 -0.258 19340 9110 1 18 . 1 1 90 90 THR H H 90 8.539 8.539 8.290 0.249 19340 9111 1 18 . 1 1 91 91 THR N N 91 114.681 114.681 115.840 -1.159 19340 9112 1 18 . 1 1 91 91 THR HA H 91 4.182 4.182 4.279 -0.097 19340 9113 1 18 . 1 1 91 91 THR CA C 91 64.750 64.750 64.189 0.561 19340 9114 1 18 . 1 1 91 91 THR CB C 91 69.055 69.055 68.690 0.365 19340 9115 1 18 . 1 1 91 91 THR H H 91 8.335 8.335 7.946 0.389 19340 9116 1 18 . 1 1 92 92 SER N N 92 114.236 114.236 116.804 -2.568 19340 9117 1 18 . 1 1 92 92 SER HA H 92 4.668 4.668 4.640 0.028 19340 9118 1 18 . 1 1 92 92 SER CA C 92 58.460 58.460 58.390 0.070 19340 9119 1 18 . 1 1 92 92 SER CB C 92 64.433 64.433 63.574 0.859 19340 9120 1 18 . 1 1 92 92 SER H H 92 7.642 7.642 7.629 0.013 19340 9121 1 18 . 1 1 93 93 ILE N N 93 122.128 122.128 123.235 -1.107 19340 9122 1 18 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.761 0.052 19340 9123 1 18 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.219 -0.089 19340 9124 1 18 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.255 0.944 19340 9125 1 18 . 1 1 93 93 ILE H H 93 7.276 7.276 7.194 0.082 19340 9126 1 18 . 1 1 94 94 GLY N N 94 108.426 108.426 107.243 1.183 19340 9127 1 18 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.213 -0.214 19340 9128 1 18 . 1 1 94 94 GLY H H 94 8.756 8.756 8.675 0.081 19340 9129 1 18 . 1 1 95 95 LEU N N 95 123.674 123.674 122.399 1.275 19340 9130 1 18 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.164 0.118 19340 9131 1 18 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.619 0.410 19340 9132 1 18 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.778 -0.516 19340 9133 1 18 . 1 1 95 95 LEU H H 95 7.568 7.568 7.542 0.026 19340 9134 1 18 . 1 1 96 96 THR N N 96 119.717 119.717 116.584 3.133 19340 9135 1 18 . 1 1 96 96 THR HA H 96 3.837 3.837 3.909 -0.072 19340 9136 1 18 . 1 1 96 96 THR CA C 96 66.683 66.683 67.371 -0.688 19340 9137 1 18 . 1 1 96 96 THR CB C 96 67.969 67.969 68.499 -0.530 19340 9138 1 18 . 1 1 96 96 THR H H 96 8.430 8.430 8.465 -0.035 19340 9139 1 18 . 1 1 97 97 SER N N 97 117.285 117.285 116.323 0.962 19340 9140 1 18 . 1 1 97 97 SER HA H 97 4.094 4.094 4.122 -0.028 19340 9141 1 18 . 1 1 97 97 SER CA C 97 62.507 62.507 61.483 1.024 19340 9142 1 18 . 1 1 97 97 SER CB C 97 62.845 62.845 63.110 -0.265 19340 9143 1 18 . 1 1 97 97 SER H H 97 9.000 9.000 8.778 0.222 19340 9144 1 18 . 1 1 98 98 ASN N N 98 121.846 121.846 119.592 2.254 19340 9145 1 18 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.597 -0.209 19340 9146 1 18 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.525 1.357 19340 9147 1 18 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.611 0.223 19340 9148 1 18 . 1 1 98 98 ASN H H 98 7.939 7.939 7.710 0.229 19340 9149 1 18 . 1 1 99 99 SER N N 99 117.585 117.585 117.164 0.421 19340 9150 1 18 . 1 1 99 99 SER HA H 99 4.204 4.204 4.314 -0.110 19340 9151 1 18 . 1 1 99 99 SER CA C 99 62.886 62.886 62.069 0.817 19340 9152 1 18 . 1 1 99 99 SER CB C 99 62.984 62.984 63.347 -0.363 19340 9153 1 18 . 1 1 99 99 SER H H 99 8.370 8.370 8.243 0.127 19340 9154 1 18 . 1 1 100 100 VAL N N 100 121.524 121.524 119.376 2.148 19340 9155 1 18 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.940 -0.389 19340 9156 1 18 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.523 1.428 19340 9157 1 18 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.301 0.353 19340 9158 1 18 . 1 1 100 100 VAL H H 100 8.565 8.565 8.337 0.228 19340 9159 1 18 . 1 1 101 101 SER N N 101 113.005 113.005 116.080 -3.075 19340 9160 1 18 . 1 1 101 101 SER HA H 101 3.875 3.875 4.127 -0.252 19340 9161 1 18 . 1 1 101 101 SER CA C 101 62.326 62.326 61.550 0.777 19340 9162 1 18 . 1 1 101 101 SER CB C 101 63.263 63.263 62.796 0.467 19340 9163 1 18 . 1 1 101 101 SER H H 101 8.272 8.272 7.836 0.436 19340 9164 1 18 . 1 1 102 102 LYS N N 102 119.357 119.357 121.417 -2.060 19340 9165 1 18 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.106 -0.086 19340 9166 1 18 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.015 0.584 19340 9167 1 18 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.504 0.639 19340 9168 1 18 . 1 1 102 102 LYS H H 102 7.953 7.953 7.784 0.169 19340 9169 1 18 . 1 1 103 103 ALA N N 103 120.882 120.882 122.744 -1.862 19340 9170 1 18 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.989 0.254 19340 9171 1 18 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.879 -0.292 19340 9172 1 18 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.270 2.356 19340 9173 1 18 . 1 1 103 103 ALA H H 103 8.049 8.049 8.297 -0.248 19340 9174 1 18 . 1 1 104 104 VAL N N 104 116.191 116.191 118.875 -2.684 19340 9175 1 18 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.413 -0.164 19340 9176 1 18 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.606 0.508 19340 9177 1 18 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.691 -0.677 19340 9178 1 18 . 1 1 104 104 VAL H H 104 8.572 8.572 8.264 0.308 19340 9179 1 18 . 1 1 105 105 ALA N N 105 121.884 121.884 120.431 1.453 19340 9180 1 18 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.215 -0.324 19340 9181 1 18 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.384 0.919 19340 9182 1 18 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.347 0.135 19340 9183 1 18 . 1 1 105 105 ALA H H 105 8.347 8.347 7.729 0.618 19340 9184 1 18 . 1 1 106 106 GLN N N 106 113.657 113.657 118.534 -4.877 19340 9185 1 18 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.112 -0.081 19340 9186 1 18 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.329 0.019 19340 9187 1 18 . 1 1 106 106 GLN CB C 106 35.247 35.247 28.988 6.259 19340 9188 1 18 . 1 1 106 106 GLN H H 106 7.838 7.838 7.884 -0.046 19340 9189 1 18 . 1 1 107 107 ALA N N 107 117.818 117.818 120.976 -3.158 19340 9190 1 18 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.308 -0.054 19340 9191 1 18 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.947 0.208 19340 9192 1 18 . 1 1 107 107 ALA CB C 107 22.158 22.158 18.851 3.308 19340 9193 1 18 . 1 1 107 107 ALA H H 107 8.145 8.145 7.766 0.379 19340 9194 1 18 . 1 1 108 108 LEU N N 108 113.428 113.428 118.514 -5.086 19340 9195 1 18 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.181 0.241 19340 9196 1 18 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.938 -1.533 19340 9197 1 18 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.264 0.391 19340 9198 1 18 . 1 1 108 108 LEU H H 108 8.341 8.341 8.007 0.334 19340 9199 1 19 . 1 1 2 2 SER N N 2 117.112 117.112 116.915 0.197 19340 9200 1 19 . 1 1 2 2 SER HA H 2 4.500 4.500 4.217 0.283 19340 9201 1 19 . 1 1 2 2 SER CA C 2 58.547 58.547 58.593 -0.046 19340 9202 1 19 . 1 1 2 2 SER CB C 2 63.820 63.820 64.136 -0.316 19340 9203 1 19 . 1 1 2 2 SER H H 2 8.748 8.748 8.142 0.606 19340 9204 1 19 . 1 1 3 3 PHE N N 3 123.783 123.783 122.515 1.268 19340 9205 1 19 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.453 -0.232 19340 9206 1 19 . 1 1 3 3 PHE CA C 3 61.091 61.091 59.185 1.906 19340 9207 1 19 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.638 0.229 19340 9208 1 19 . 1 1 3 3 PHE H H 3 8.398 8.398 8.812 -0.414 19340 9209 1 19 . 1 1 4 4 GLY N N 4 106.435 106.435 107.835 -1.400 19340 9210 1 19 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.759 0.460 19340 9211 1 19 . 1 1 4 4 GLY H H 4 8.699 8.699 8.393 0.306 19340 9212 1 19 . 1 1 5 5 LEU N N 5 121.041 121.041 119.212 1.829 19340 9213 1 19 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.297 -0.166 19340 9214 1 19 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.427 0.179 19340 9215 1 19 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.649 0.142 19340 9216 1 19 . 1 1 5 5 LEU H H 5 7.590 7.590 7.348 0.242 19340 9217 1 19 . 1 1 6 6 VAL N N 6 118.980 118.980 115.169 3.811 19340 9218 1 19 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.886 -0.185 19340 9219 1 19 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.131 0.637 19340 9220 1 19 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.337 0.986 19340 9221 1 19 . 1 1 6 6 VAL H H 6 7.630 7.630 7.613 0.017 19340 9222 1 19 . 1 1 7 7 LEU N N 7 120.127 120.127 117.280 2.847 19340 9223 1 19 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.230 0.030 19340 9224 1 19 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.371 0.700 19340 9225 1 19 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.399 0.392 19340 9226 1 19 . 1 1 7 7 LEU H H 7 8.171 8.171 7.464 0.707 19340 9227 1 19 . 1 1 8 8 ASN N N 8 114.592 114.592 115.279 -0.687 19340 9228 1 19 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.794 0.030 19340 9229 1 19 . 1 1 8 8 ASN CA C 8 52.723 52.723 52.772 -0.049 19340 9230 1 19 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.463 -0.122 19340 9231 1 19 . 1 1 8 8 ASN H H 8 7.602 7.602 7.573 0.029 19340 9232 1 19 . 1 1 9 9 SER N N 9 116.029 116.029 116.545 -0.516 19340 9233 1 19 . 1 1 9 9 SER HA H 9 4.690 4.690 4.680 0.010 19340 9234 1 19 . 1 1 9 9 SER CA C 9 56.675 56.675 56.718 -0.043 19340 9235 1 19 . 1 1 9 9 SER CB C 9 64.210 64.210 63.715 0.495 19340 9236 1 19 . 1 1 9 9 SER H H 9 7.186 7.186 7.715 -0.529 19340 9237 1 19 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.466 -0.027 19340 9238 1 19 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.402 0.305 19340 9239 1 19 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.006 0.038 19340 9240 1 19 . 1 1 11 11 ASN N N 11 114.702 114.702 114.735 -0.033 19340 9241 1 19 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.850 0.209 19340 9242 1 19 . 1 1 11 11 ASN CA C 11 52.766 52.766 52.108 0.658 19340 9243 1 19 . 1 1 11 11 ASN CB C 11 40.287 40.287 37.842 2.445 19340 9244 1 19 . 1 1 11 11 ASN H H 11 8.150 8.150 7.993 0.157 19340 9245 1 19 . 1 1 12 12 GLY N N 12 122.938 122.938 108.858 14.080 19340 9246 1 19 . 1 1 12 12 GLY CA C 12 44.121 44.121 44.961 -0.840 19340 9247 1 19 . 1 1 12 12 GLY H H 12 7.324 7.324 7.648 -0.324 19340 9248 1 19 . 1 1 13 13 LEU N N 13 124.662 124.662 119.961 4.701 19340 9249 1 19 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.400 -0.671 19340 9250 1 19 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.594 2.426 19340 9251 1 19 . 1 1 13 13 LEU CB C 13 43.685 43.685 41.925 1.760 19340 9252 1 19 . 1 1 13 13 LEU H H 13 9.253 9.253 8.437 0.816 19340 9253 1 19 . 1 1 14 14 ARG N N 14 113.071 113.071 118.723 -5.652 19340 9254 1 19 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.184 0.104 19340 9255 1 19 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.041 -0.651 19340 9256 1 19 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.300 -0.261 19340 9257 1 19 . 1 1 14 14 ARG H H 14 8.168 8.168 8.238 -0.070 19340 9258 1 19 . 1 1 15 15 SER N N 15 118.055 118.055 113.895 4.160 19340 9259 1 19 . 1 1 15 15 SER HA H 15 4.690 4.690 4.735 -0.045 19340 9260 1 19 . 1 1 15 15 SER CA C 15 57.520 57.520 57.363 0.157 19340 9261 1 19 . 1 1 15 15 SER CB C 15 65.463 65.463 64.136 1.327 19340 9262 1 19 . 1 1 15 15 SER H H 15 8.264 8.264 7.678 0.586 19340 9263 1 19 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.337 0.040 19340 9264 1 19 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.961 0.393 19340 9265 1 19 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.989 -0.223 19340 9266 1 19 . 1 1 17 17 GLN N N 17 117.374 117.374 118.017 -0.643 19340 9267 1 19 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.047 0.068 19340 9268 1 19 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.770 0.501 19340 9269 1 19 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.239 0.655 19340 9270 1 19 . 1 1 17 17 GLN H H 17 8.661 8.661 8.737 -0.076 19340 9271 1 19 . 1 1 18 18 ALA N N 18 122.904 122.904 122.780 0.124 19340 9272 1 19 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.044 -0.175 19340 9273 1 19 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.659 0.730 19340 9274 1 19 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.265 1.052 19340 9275 1 19 . 1 1 18 18 ALA H H 18 7.785 7.785 8.159 -0.374 19340 9276 1 19 . 1 1 19 19 LYS N N 19 116.947 116.947 119.119 -2.172 19340 9277 1 19 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.031 -0.279 19340 9278 1 19 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.278 1.452 19340 9279 1 19 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.259 -0.660 19340 9280 1 19 . 1 1 19 19 LYS H H 19 7.410 7.410 7.516 -0.106 19340 9281 1 19 . 1 1 20 20 ALA N N 20 119.887 119.887 122.017 -2.130 19340 9282 1 19 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.034 0.137 19340 9283 1 19 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.014 -0.005 19340 9284 1 19 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.494 -0.207 19340 9285 1 19 . 1 1 20 20 ALA H H 20 7.362 7.362 7.544 -0.182 19340 9286 1 19 . 1 1 21 21 ARG N N 21 118.182 118.182 118.756 -0.574 19340 9287 1 19 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.026 0.022 19340 9288 1 19 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.290 1.302 19340 9289 1 19 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.285 1.731 19340 9290 1 19 . 1 1 21 21 ARG H H 21 7.502 7.502 7.578 -0.076 19340 9291 1 19 . 1 1 22 22 ILE N N 22 122.484 122.484 119.875 2.609 19340 9292 1 19 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.709 -0.164 19340 9293 1 19 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.300 0.710 19340 9294 1 19 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.507 0.497 19340 9295 1 19 . 1 1 22 22 ILE H H 22 9.258 9.258 8.111 1.147 19340 9296 1 19 . 1 1 23 23 ASN N N 23 119.721 119.721 119.057 0.664 19340 9297 1 19 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.346 -0.069 19340 9298 1 19 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.767 0.391 19340 9299 1 19 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.400 0.551 19340 9300 1 19 . 1 1 23 23 ASN H H 23 8.395 8.395 7.917 0.478 19340 9301 1 19 . 1 1 24 24 ASN N N 24 117.554 117.554 118.405 -0.851 19340 9302 1 19 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.500 -0.005 19340 9303 1 19 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.775 0.684 19340 9304 1 19 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.188 -0.235 19340 9305 1 19 . 1 1 24 24 ASN H H 24 8.002 8.002 7.690 0.312 19340 9306 1 19 . 1 1 25 25 LEU N N 25 123.367 123.367 121.954 1.413 19340 9307 1 19 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.152 0.002 19340 9308 1 19 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.153 -0.236 19340 9309 1 19 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.782 1.151 19340 9310 1 19 . 1 1 25 25 LEU H H 25 8.235 8.235 7.651 0.584 19340 9311 1 19 . 1 1 26 26 ALA N N 26 123.137 123.137 120.090 3.047 19340 9312 1 19 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.087 -0.218 19340 9313 1 19 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.811 0.897 19340 9314 1 19 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.147 -1.197 19340 9315 1 19 . 1 1 26 26 ALA H H 26 9.068 9.068 8.459 0.609 19340 9316 1 19 . 1 1 27 27 SER N N 27 113.809 113.809 113.007 0.802 19340 9317 1 19 . 1 1 27 27 SER HA H 27 4.182 4.182 4.512 -0.330 19340 9318 1 19 . 1 1 27 27 SER CA C 27 62.075 62.075 59.974 2.101 19340 9319 1 19 . 1 1 27 27 SER CB C 27 62.929 62.929 64.118 -1.189 19340 9320 1 19 . 1 1 27 27 SER H H 27 8.004 8.004 7.421 0.583 19340 9321 1 19 . 1 1 28 28 ALA N N 28 124.782 124.782 125.826 -1.044 19340 9322 1 19 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.158 0.046 19340 9323 1 19 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.150 0.110 19340 9324 1 19 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.346 -0.644 19340 9325 1 19 . 1 1 28 28 ALA H H 28 7.970 7.970 7.833 0.137 19340 9326 1 19 . 1 1 29 29 LEU N N 29 117.907 117.907 117.744 0.163 19340 9327 1 19 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.855 -0.031 19340 9328 1 19 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.157 -0.162 19340 9329 1 19 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.412 1.114 19340 9330 1 19 . 1 1 29 29 LEU H H 29 8.960 8.960 8.746 0.214 19340 9331 1 19 . 1 1 30 30 SER N N 30 112.859 112.859 111.687 1.172 19340 9332 1 19 . 1 1 30 30 SER HA H 30 4.076 4.076 4.089 -0.013 19340 9333 1 19 . 1 1 30 30 SER CA C 30 61.998 61.998 60.754 1.244 19340 9334 1 19 . 1 1 30 30 SER CB C 30 63.012 63.012 62.893 0.119 19340 9335 1 19 . 1 1 30 30 SER H H 30 7.951 7.951 7.958 -0.007 19340 9336 1 19 . 1 1 31 31 THR N N 31 109.820 109.820 115.812 -5.992 19340 9337 1 19 . 1 1 31 31 THR HA H 31 4.472 4.472 4.238 0.234 19340 9338 1 19 . 1 1 31 31 THR CA C 31 62.731 62.731 64.420 -1.689 19340 9339 1 19 . 1 1 31 31 THR CB C 31 69.362 69.362 69.127 0.235 19340 9340 1 19 . 1 1 31 31 THR H H 31 7.164 7.164 7.441 -0.277 19340 9341 1 19 . 1 1 32 32 ALA N N 32 122.926 122.926 122.858 0.068 19340 9342 1 19 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.330 0.097 19340 9343 1 19 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.486 -0.402 19340 9344 1 19 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.720 0.906 19340 9345 1 19 . 1 1 32 32 ALA H H 32 7.997 7.997 7.734 0.263 19340 9346 1 19 . 1 1 33 33 VAL N N 33 116.339 116.339 118.034 -1.695 19340 9347 1 19 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.121 0.340 19340 9348 1 19 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.937 -1.336 19340 9349 1 19 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.783 0.846 19340 9350 1 19 . 1 1 33 33 VAL H H 33 7.550 7.550 8.054 -0.504 19340 9351 1 19 . 1 1 34 34 GLY N N 34 113.114 113.114 114.029 -0.915 19340 9352 1 19 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.877 -0.608 19340 9353 1 19 . 1 1 34 34 GLY H H 34 7.886 7.886 8.563 -0.677 19340 9354 1 19 . 1 1 35 35 ARG N N 35 120.709 120.709 120.446 0.263 19340 9355 1 19 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.314 0.069 19340 9356 1 19 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.902 0.998 19340 9357 1 19 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.832 0.040 19340 9358 1 19 . 1 1 35 35 ARG H H 35 8.773 8.773 8.544 0.229 19340 9359 1 19 . 1 1 36 36 ASN N N 36 114.578 114.578 116.793 -2.215 19340 9360 1 19 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.736 0.088 19340 9361 1 19 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.305 0.789 19340 9362 1 19 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.257 0.360 19340 9363 1 19 . 1 1 36 36 ASN H H 36 8.628 8.628 7.991 0.637 19340 9364 1 19 . 1 1 37 37 GLY N N 37 108.462 108.462 110.046 -1.584 19340 9365 1 19 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.851 -1.134 19340 9366 1 19 . 1 1 37 37 GLY H H 37 7.880 7.880 8.009 -0.129 19340 9367 1 19 . 1 1 38 38 VAL N N 38 121.761 121.761 120.490 1.271 19340 9368 1 19 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.252 0.125 19340 9369 1 19 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.536 -0.470 19340 9370 1 19 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.178 -0.407 19340 9371 1 19 . 1 1 38 38 VAL H H 38 8.565 8.565 7.750 0.815 19340 9372 1 19 . 1 1 39 39 ASP N N 39 127.585 127.585 128.071 -0.486 19340 9373 1 19 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.880 -0.229 19340 9374 1 19 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.098 0.747 19340 9375 1 19 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.995 0.434 19340 9376 1 19 . 1 1 39 39 ASP H H 39 9.007 9.007 8.542 0.465 19340 9377 1 19 . 1 1 40 40 VAL N N 40 129.021 129.021 125.975 3.046 19340 9378 1 19 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.816 -0.321 19340 9379 1 19 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.937 1.462 19340 9380 1 19 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.708 0.643 19340 9381 1 19 . 1 1 40 40 VAL H H 40 8.632 8.632 8.437 0.195 19340 9382 1 19 . 1 1 41 41 ASN N N 41 122.301 122.301 117.807 4.494 19340 9383 1 19 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.375 0.075 19340 9384 1 19 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.569 0.442 19340 9385 1 19 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.135 -0.298 19340 9386 1 19 . 1 1 41 41 ASN H H 41 8.673 8.673 8.532 0.141 19340 9387 1 19 . 1 1 42 42 ALA N N 42 124.313 124.313 122.613 1.700 19340 9388 1 19 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.235 -0.037 19340 9389 1 19 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.656 0.215 19340 9390 1 19 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.514 0.163 19340 9391 1 19 . 1 1 42 42 ALA H H 42 8.420 8.420 7.660 0.760 19340 9392 1 19 . 1 1 43 43 PHE N N 43 119.198 119.198 119.694 -0.496 19340 9393 1 19 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.203 0.280 19340 9394 1 19 . 1 1 43 43 PHE CA C 43 58.167 58.167 59.123 -0.956 19340 9395 1 19 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.517 0.656 19340 9396 1 19 . 1 1 43 43 PHE H H 43 8.611 8.611 8.823 -0.212 19340 9397 1 19 . 1 1 44 44 THR N N 44 116.700 116.700 114.176 2.524 19340 9398 1 19 . 1 1 44 44 THR HA H 44 4.349 4.349 3.768 0.581 19340 9399 1 19 . 1 1 44 44 THR CA C 44 68.443 68.443 65.690 2.753 19340 9400 1 19 . 1 1 44 44 THR CB C 44 68.248 68.248 68.354 -0.106 19340 9401 1 19 . 1 1 44 44 THR H H 44 8.881 8.881 8.743 0.138 19340 9402 1 19 . 1 1 45 45 SER N N 45 116.018 116.018 116.901 -0.883 19340 9403 1 19 . 1 1 45 45 SER HA H 45 4.117 4.117 4.191 -0.074 19340 9404 1 19 . 1 1 45 45 SER CA C 45 62.507 62.507 62.304 0.203 19340 9405 1 19 . 1 1 45 45 SER CB C 45 62.706 62.706 63.002 -0.296 19340 9406 1 19 . 1 1 45 45 SER H H 45 8.020 8.020 7.738 0.282 19340 9407 1 19 . 1 1 46 46 GLY N N 46 108.460 108.460 108.992 -0.532 19340 9408 1 19 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.771 0.335 19340 9409 1 19 . 1 1 46 46 GLY H H 46 7.871 7.871 7.728 0.143 19340 9410 1 19 . 1 1 47 47 LEU N N 47 123.148 123.148 122.502 0.646 19340 9411 1 19 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.970 -0.140 19340 9412 1 19 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.367 0.973 19340 9413 1 19 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.383 1.049 19340 9414 1 19 . 1 1 47 47 LEU H H 47 8.221 8.221 7.389 0.832 19340 9415 1 19 . 1 1 48 48 ARG N N 48 118.694 118.694 118.974 -0.280 19340 9416 1 19 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.949 -0.102 19340 9417 1 19 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.825 0.413 19340 9418 1 19 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.765 0.580 19340 9419 1 19 . 1 1 48 48 ARG H H 48 8.646 8.646 8.323 0.323 19340 9420 1 19 . 1 1 49 49 ALA N N 49 122.114 122.114 120.465 1.649 19340 9421 1 19 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.277 -0.118 19340 9422 1 19 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.981 0.227 19340 9423 1 19 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.178 -0.086 19340 9424 1 19 . 1 1 49 49 ALA H H 49 8.078 8.078 7.517 0.561 19340 9425 1 19 . 1 1 50 50 THR N N 50 115.708 115.708 116.374 -0.666 19340 9426 1 19 . 1 1 50 50 THR HA H 50 3.696 3.696 4.093 -0.397 19340 9427 1 19 . 1 1 50 50 THR CA C 50 67.692 67.692 66.057 1.635 19340 9428 1 19 . 1 1 50 50 THR CB C 50 68.599 68.599 68.582 0.017 19340 9429 1 19 . 1 1 50 50 THR H H 50 7.577 7.577 7.632 -0.055 19340 9430 1 19 . 1 1 51 51 LEU N N 51 121.108 121.108 123.134 -2.026 19340 9431 1 19 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.152 -0.361 19340 9432 1 19 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.633 0.620 19340 9433 1 19 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.768 1.218 19340 9434 1 19 . 1 1 51 51 LEU H H 51 8.014 8.014 8.751 -0.737 19340 9435 1 19 . 1 1 52 52 SER N N 52 115.122 115.122 113.956 1.166 19340 9436 1 19 . 1 1 52 52 SER HA H 52 4.154 4.154 4.144 0.010 19340 9437 1 19 . 1 1 52 52 SER CA C 52 61.765 61.765 61.153 0.612 19340 9438 1 19 . 1 1 52 52 SER CB C 52 62.901 62.901 62.825 0.076 19340 9439 1 19 . 1 1 52 52 SER H H 52 8.442 8.442 7.908 0.534 19340 9440 1 19 . 1 1 53 53 ASN N N 53 119.438 119.438 119.539 -0.101 19340 9441 1 19 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.514 0.126 19340 9442 1 19 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.199 -0.206 19340 9443 1 19 . 1 1 53 53 ASN CB C 53 39.508 39.508 39.063 0.445 19340 9444 1 19 . 1 1 53 53 ASN H H 53 7.705 7.705 7.664 0.041 19340 9445 1 19 . 1 1 54 54 LEU N N 54 120.042 120.042 119.408 0.634 19340 9446 1 19 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.298 -0.105 19340 9447 1 19 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.234 -0.119 19340 9448 1 19 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.017 0.972 19340 9449 1 19 . 1 1 54 54 LEU H H 54 7.811 7.811 8.518 -0.707 19340 9450 1 19 . 1 1 55 55 GLY N N 55 109.450 109.450 105.983 3.467 19340 9451 1 19 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.336 1.340 19340 9452 1 19 . 1 1 55 55 GLY H H 55 8.074 8.074 7.943 0.131 19340 9453 1 19 . 1 1 56 56 ASP N N 56 121.016 121.016 117.981 3.035 19340 9454 1 19 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.876 -0.119 19340 9455 1 19 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.054 1.756 19340 9456 1 19 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.119 -0.581 19340 9457 1 19 . 1 1 56 56 ASP H H 56 8.144 8.144 7.463 0.681 19340 9458 1 19 . 1 1 57 57 SER N N 57 113.978 113.978 114.845 -0.867 19340 9459 1 19 . 1 1 57 57 SER HA H 57 4.305 4.305 4.516 -0.211 19340 9460 1 19 . 1 1 57 57 SER CA C 57 60.031 60.031 59.302 0.729 19340 9461 1 19 . 1 1 57 57 SER CB C 57 65.212 65.212 64.339 0.873 19340 9462 1 19 . 1 1 57 57 SER H H 57 7.742 7.742 7.892 -0.150 19340 9463 1 19 . 1 1 58 58 GLY N N 58 110.315 110.315 107.347 2.968 19340 9464 1 19 . 1 1 58 58 GLY CA C 58 45.690 45.690 45.048 0.642 19340 9465 1 19 . 1 1 58 58 GLY H H 58 8.306 8.306 7.873 0.433 19340 9466 1 19 . 1 1 59 59 MET N N 59 120.024 120.024 116.864 3.160 19340 9467 1 19 . 1 1 59 59 MET HA H 59 4.416 4.416 4.830 -0.414 19340 9468 1 19 . 1 1 59 59 MET CA C 59 56.597 56.597 54.698 1.899 19340 9469 1 19 . 1 1 59 59 MET CB C 59 34.328 34.328 34.144 0.184 19340 9470 1 19 . 1 1 59 59 MET H H 59 7.686 7.686 7.343 0.343 19340 9471 1 19 . 1 1 60 60 SER N N 60 122.795 122.795 114.551 8.244 19340 9472 1 19 . 1 1 60 60 SER HA H 60 4.601 4.601 4.778 -0.177 19340 9473 1 19 . 1 1 60 60 SER CA C 60 57.598 57.598 54.873 2.725 19340 9474 1 19 . 1 1 60 60 SER CB C 60 62.511 62.511 64.945 -2.434 19340 9475 1 19 . 1 1 60 60 SER H H 60 9.088 9.088 8.284 0.804 19340 9476 1 19 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.477 -0.262 19340 9477 1 19 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.215 2.407 19340 9478 1 19 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.839 0.122 19340 9479 1 19 . 1 1 62 62 ASN N N 62 113.170 113.170 116.858 -3.688 19340 9480 1 19 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.665 -0.288 19340 9481 1 19 . 1 1 62 62 ASN CA C 62 56.416 56.416 54.727 1.689 19340 9482 1 19 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.988 -1.984 19340 9483 1 19 . 1 1 62 62 ASN H H 62 8.389 8.389 8.466 -0.077 19340 9484 1 19 . 1 1 63 63 GLU N N 63 120.222 120.222 120.582 -0.360 19340 9485 1 19 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.143 -0.391 19340 9486 1 19 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.425 1.243 19340 9487 1 19 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.164 8.673 19340 9488 1 19 . 1 1 63 63 GLU H H 63 7.428 7.428 7.523 -0.095 19340 9489 1 19 . 1 1 64 64 ALA N N 64 120.568 120.568 122.153 -1.585 19340 9490 1 19 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.055 0.021 19340 9491 1 19 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.417 -0.597 19340 9492 1 19 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.544 -0.202 19340 9493 1 19 . 1 1 64 64 ALA H H 64 8.640 8.640 7.799 0.841 19340 9494 1 19 . 1 1 65 65 LYS N N 65 115.104 115.104 116.722 -1.618 19340 9495 1 19 . 1 1 65 65 LYS HA H 65 3.623 3.623 3.994 -0.371 19340 9496 1 19 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.183 1.693 19340 9497 1 19 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.158 0.694 19340 9498 1 19 . 1 1 65 65 LYS H H 65 7.472 7.472 8.260 -0.788 19340 9499 1 19 . 1 1 66 66 VAL N N 66 116.911 116.911 119.248 -2.337 19340 9500 1 19 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.974 -0.423 19340 9501 1 19 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.417 2.887 19340 9502 1 19 . 1 1 66 66 VAL CB C 66 31.543 31.543 31.995 -0.452 19340 9503 1 19 . 1 1 66 66 VAL H H 66 7.045 7.045 7.260 -0.215 19340 9504 1 19 . 1 1 67 67 GLU N N 67 120.755 120.755 119.838 0.917 19340 9505 1 19 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.135 -0.093 19340 9506 1 19 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.942 -1.533 19340 9507 1 19 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.815 3.120 19340 9508 1 19 . 1 1 67 67 GLU H H 67 8.439 8.439 8.541 -0.102 19340 9509 1 19 . 1 1 68 68 VAL N N 68 119.280 119.280 116.185 3.095 19340 9510 1 19 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.707 -0.352 19340 9511 1 19 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.910 1.523 19340 9512 1 19 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.279 -0.627 19340 9513 1 19 . 1 1 68 68 VAL H H 68 8.473 8.473 8.085 0.388 19340 9514 1 19 . 1 1 69 69 LEU N N 69 117.578 117.578 119.256 -1.678 19340 9515 1 19 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.026 -0.068 19340 9516 1 19 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.412 0.945 19340 9517 1 19 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.411 0.687 19340 9518 1 19 . 1 1 69 69 LEU H H 69 7.292 7.292 7.567 -0.275 19340 9519 1 19 . 1 1 70 70 LEU N N 70 118.482 118.482 118.764 -0.282 19340 9520 1 19 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.968 0.013 19340 9521 1 19 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.280 0.094 19340 9522 1 19 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.767 0.414 19340 9523 1 19 . 1 1 70 70 LEU H H 70 8.237 8.237 7.560 0.677 19340 9524 1 19 . 1 1 71 71 GLU N N 71 123.582 123.582 120.156 3.426 19340 9525 1 19 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.985 -0.261 19340 9526 1 19 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.365 1.718 19340 9527 1 19 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.509 7.800 19340 9528 1 19 . 1 1 71 71 GLU H H 71 8.915 8.915 7.722 1.193 19340 9529 1 19 . 1 1 72 72 ALA N N 72 123.321 123.321 122.475 0.846 19340 9530 1 19 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.171 -0.107 19340 9531 1 19 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.091 0.609 19340 9532 1 19 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.550 -0.709 19340 9533 1 19 . 1 1 72 72 ALA H H 72 8.994 8.994 8.052 0.942 19340 9534 1 19 . 1 1 73 73 LEU N N 73 118.574 118.574 118.691 -0.117 19340 9535 1 19 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.070 -0.112 19340 9536 1 19 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.466 0.770 19340 9537 1 19 . 1 1 73 73 LEU CB C 73 42.348 42.348 42.025 0.323 19340 9538 1 19 . 1 1 73 73 LEU H H 73 8.544 8.544 7.594 0.950 19340 9539 1 19 . 1 1 74 74 THR N N 74 115.785 115.785 115.714 0.071 19340 9540 1 19 . 1 1 74 74 THR HA H 74 3.578 3.578 3.916 -0.338 19340 9541 1 19 . 1 1 74 74 THR CA C 74 68.727 68.727 67.006 1.721 19340 9542 1 19 . 1 1 74 74 THR CB C 74 67.691 67.691 68.209 -0.518 19340 9543 1 19 . 1 1 74 74 THR H H 74 8.137 8.137 8.072 0.065 19340 9544 1 19 . 1 1 75 75 ALA N N 75 123.543 123.543 123.323 0.220 19340 9545 1 19 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.330 -0.634 19340 9546 1 19 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.911 0.651 19340 9547 1 19 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.369 1.004 19340 9548 1 19 . 1 1 75 75 ALA H H 75 8.585 8.585 7.633 0.952 19340 9549 1 19 . 1 1 76 76 ALA N N 76 118.729 118.729 120.901 -2.172 19340 9550 1 19 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.022 -0.248 19340 9551 1 19 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.385 1.056 19340 9552 1 19 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.578 -0.430 19340 9553 1 19 . 1 1 76 76 ALA H H 76 8.199 8.199 7.234 0.965 19340 9554 1 19 . 1 1 77 77 LEU N N 77 117.321 117.321 119.207 -1.886 19340 9555 1 19 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.832 0.043 19340 9556 1 19 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.833 0.369 19340 9557 1 19 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.718 -1.096 19340 9558 1 19 . 1 1 77 77 LEU H H 77 8.265 8.265 8.792 -0.527 19340 9559 1 19 . 1 1 78 78 GLN N N 78 121.687 121.687 117.922 3.765 19340 9560 1 19 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.054 -0.241 19340 9561 1 19 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.316 0.317 19340 9562 1 19 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.373 4.066 19340 9563 1 19 . 1 1 78 78 GLN H H 78 8.776 8.776 7.912 0.864 19340 9564 1 19 . 1 1 79 79 LEU N N 79 120.042 120.042 120.859 -0.817 19340 9565 1 19 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.133 -0.125 19340 9566 1 19 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.570 0.166 19340 9567 1 19 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.172 0.371 19340 9568 1 19 . 1 1 79 79 LEU H H 79 7.990 7.990 7.336 0.654 19340 9569 1 19 . 1 1 80 80 LEU N N 80 122.157 122.157 120.035 2.122 19340 9570 1 19 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.018 -0.194 19340 9571 1 19 . 1 1 80 80 LEU CA C 80 58.089 58.089 56.929 1.160 19340 9572 1 19 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.989 2.415 19340 9573 1 19 . 1 1 80 80 LEU H H 80 8.454 8.454 8.648 -0.194 19340 9574 1 19 . 1 1 81 81 SER N N 81 114.179 114.179 114.009 0.170 19340 9575 1 19 . 1 1 81 81 SER HA H 81 3.897 3.897 4.217 -0.320 19340 9576 1 19 . 1 1 81 81 SER CA C 81 61.756 61.756 60.673 1.083 19340 9577 1 19 . 1 1 81 81 SER CB C 81 63.486 63.486 62.912 0.574 19340 9578 1 19 . 1 1 81 81 SER H H 81 8.006 8.006 7.970 0.036 19340 9579 1 19 . 1 1 82 82 SER N N 82 113.392 113.392 114.456 -1.064 19340 9580 1 19 . 1 1 82 82 SER HA H 82 4.718 4.718 4.673 0.045 19340 9581 1 19 . 1 1 82 82 SER CA C 82 57.718 57.718 57.895 -0.177 19340 9582 1 19 . 1 1 82 82 SER CB C 82 64.377 64.377 63.925 0.452 19340 9583 1 19 . 1 1 82 82 SER H H 82 7.160 7.160 7.898 -0.738 19340 9584 1 19 . 1 1 83 83 SER N N 83 117.607 117.607 116.658 0.949 19340 9585 1 19 . 1 1 83 83 SER HA H 83 4.885 4.885 4.709 0.176 19340 9586 1 19 . 1 1 83 83 SER CA C 83 59.263 59.263 58.040 1.223 19340 9587 1 19 . 1 1 83 83 SER CB C 83 65.352 65.352 65.471 -0.119 19340 9588 1 19 . 1 1 83 83 SER H H 83 7.369 7.369 7.780 -0.411 19340 9589 1 19 . 1 1 84 84 THR N N 84 117.656 117.656 114.524 3.132 19340 9590 1 19 . 1 1 84 84 THR HA H 84 4.545 4.545 4.427 0.118 19340 9591 1 19 . 1 1 84 84 THR CA C 84 62.006 62.006 62.297 -0.291 19340 9592 1 19 . 1 1 84 84 THR CB C 84 69.724 69.724 69.273 0.451 19340 9593 1 19 . 1 1 84 84 THR H H 84 8.488 8.488 8.281 0.207 19340 9594 1 19 . 1 1 85 85 LEU N N 85 130.429 130.429 119.365 11.064 19340 9595 1 19 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.109 0.179 19340 9596 1 19 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.281 1.014 19340 9597 1 19 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.374 2.015 19340 9598 1 19 . 1 1 85 85 LEU H H 85 8.878 8.878 7.698 1.180 19340 9599 1 19 . 1 1 86 86 GLY N N 86 112.150 112.150 106.897 5.253 19340 9600 1 19 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.622 -1.820 19340 9601 1 19 . 1 1 86 86 GLY H H 86 7.901 7.901 8.849 -0.948 19340 9602 1 19 . 1 1 87 87 ALA N N 87 122.559 122.559 122.403 0.156 19340 9603 1 19 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.477 -0.193 19340 9604 1 19 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.100 -0.145 19340 9605 1 19 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.749 -0.404 19340 9606 1 19 . 1 1 87 87 ALA H H 87 8.113 8.113 7.586 0.527 19340 9607 1 19 . 1 1 88 88 VAL N N 88 122.375 122.375 117.833 4.542 19340 9608 1 19 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.284 -0.477 19340 9609 1 19 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.680 0.284 19340 9610 1 19 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.792 -0.163 19340 9611 1 19 . 1 1 88 88 VAL H H 88 8.447 8.447 8.326 0.121 19340 9612 1 19 . 1 1 89 89 ASP N N 89 127.408 127.408 119.580 7.828 19340 9613 1 19 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.486 0.372 19340 9614 1 19 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.775 -2.173 19340 9615 1 19 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.898 0.919 19340 9616 1 19 . 1 1 89 89 ASP H H 89 8.570 8.570 8.442 0.128 19340 9617 1 19 . 1 1 90 90 THR N N 90 116.481 116.481 109.838 6.643 19340 9618 1 19 . 1 1 90 90 THR HA H 90 3.953 3.953 4.109 -0.156 19340 9619 1 19 . 1 1 90 90 THR CA C 90 63.879 63.879 64.173 -0.294 19340 9620 1 19 . 1 1 90 90 THR CB C 90 68.833 68.833 69.070 -0.237 19340 9621 1 19 . 1 1 90 90 THR H H 90 8.539 8.539 8.300 0.239 19340 9622 1 19 . 1 1 91 91 THR N N 91 114.681 114.681 116.458 -1.777 19340 9623 1 19 . 1 1 91 91 THR HA H 91 4.182 4.182 4.288 -0.106 19340 9624 1 19 . 1 1 91 91 THR CA C 91 64.750 64.750 64.338 0.412 19340 9625 1 19 . 1 1 91 91 THR CB C 91 69.055 69.055 68.745 0.310 19340 9626 1 19 . 1 1 91 91 THR H H 91 8.335 8.335 7.956 0.379 19340 9627 1 19 . 1 1 92 92 SER N N 92 114.236 114.236 116.877 -2.641 19340 9628 1 19 . 1 1 92 92 SER HA H 92 4.668 4.668 4.625 0.043 19340 9629 1 19 . 1 1 92 92 SER CA C 92 58.460 58.460 58.507 -0.047 19340 9630 1 19 . 1 1 92 92 SER CB C 92 64.433 64.433 63.542 0.891 19340 9631 1 19 . 1 1 92 92 SER H H 92 7.642 7.642 7.623 0.019 19340 9632 1 19 . 1 1 93 93 ILE N N 93 122.128 122.128 123.103 -0.975 19340 9633 1 19 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.768 0.045 19340 9634 1 19 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.134 -0.004 19340 9635 1 19 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.252 0.947 19340 9636 1 19 . 1 1 93 93 ILE H H 93 7.276 7.276 7.192 0.084 19340 9637 1 19 . 1 1 94 94 GLY N N 94 108.426 108.426 107.279 1.147 19340 9638 1 19 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.136 -0.137 19340 9639 1 19 . 1 1 94 94 GLY H H 94 8.756 8.756 8.584 0.172 19340 9640 1 19 . 1 1 95 95 LEU N N 95 123.674 123.674 122.769 0.905 19340 9641 1 19 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.144 0.138 19340 9642 1 19 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.728 0.301 19340 9643 1 19 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.552 -0.290 19340 9644 1 19 . 1 1 95 95 LEU H H 95 7.568 7.568 7.629 -0.061 19340 9645 1 19 . 1 1 96 96 THR N N 96 119.717 119.717 116.436 3.281 19340 9646 1 19 . 1 1 96 96 THR HA H 96 3.837 3.837 3.911 -0.074 19340 9647 1 19 . 1 1 96 96 THR CA C 96 66.683 66.683 67.520 -0.837 19340 9648 1 19 . 1 1 96 96 THR CB C 96 67.969 67.969 68.556 -0.588 19340 9649 1 19 . 1 1 96 96 THR H H 96 8.430 8.430 8.519 -0.089 19340 9650 1 19 . 1 1 97 97 SER N N 97 117.285 117.285 116.775 0.510 19340 9651 1 19 . 1 1 97 97 SER HA H 97 4.094 4.094 4.113 -0.019 19340 9652 1 19 . 1 1 97 97 SER CA C 97 62.507 62.507 61.768 0.739 19340 9653 1 19 . 1 1 97 97 SER CB C 97 62.845 62.845 62.964 -0.119 19340 9654 1 19 . 1 1 97 97 SER H H 97 9.000 9.000 8.742 0.258 19340 9655 1 19 . 1 1 98 98 ASN N N 98 121.846 121.846 119.519 2.327 19340 9656 1 19 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.640 -0.252 19340 9657 1 19 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.495 1.387 19340 9658 1 19 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.633 0.201 19340 9659 1 19 . 1 1 98 98 ASN H H 98 7.939 7.939 7.724 0.215 19340 9660 1 19 . 1 1 99 99 SER N N 99 117.585 117.585 117.047 0.538 19340 9661 1 19 . 1 1 99 99 SER HA H 99 4.204 4.204 4.312 -0.108 19340 9662 1 19 . 1 1 99 99 SER CA C 99 62.886 62.886 62.420 0.466 19340 9663 1 19 . 1 1 99 99 SER CB C 99 62.984 62.984 63.273 -0.288 19340 9664 1 19 . 1 1 99 99 SER H H 99 8.370 8.370 8.141 0.229 19340 9665 1 19 . 1 1 100 100 VAL N N 100 121.524 121.524 119.107 2.417 19340 9666 1 19 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.895 -0.344 19340 9667 1 19 . 1 1 100 100 VAL CA C 100 67.951 67.951 67.193 0.758 19340 9668 1 19 . 1 1 100 100 VAL CB C 100 31.654 31.654 31.476 0.178 19340 9669 1 19 . 1 1 100 100 VAL H H 100 8.565 8.565 8.495 0.070 19340 9670 1 19 . 1 1 101 101 SER N N 101 113.005 113.005 115.979 -2.974 19340 9671 1 19 . 1 1 101 101 SER HA H 101 3.875 3.875 4.132 -0.257 19340 9672 1 19 . 1 1 101 101 SER CA C 101 62.326 62.326 61.915 0.411 19340 9673 1 19 . 1 1 101 101 SER CB C 101 63.263 63.263 62.852 0.411 19340 9674 1 19 . 1 1 101 101 SER H H 101 8.272 8.272 7.811 0.461 19340 9675 1 19 . 1 1 102 102 LYS N N 102 119.357 119.357 121.486 -2.129 19340 9676 1 19 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.114 -0.094 19340 9677 1 19 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.029 0.570 19340 9678 1 19 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.428 0.715 19340 9679 1 19 . 1 1 102 102 LYS H H 102 7.953 7.953 7.690 0.263 19340 9680 1 19 . 1 1 103 103 ALA N N 103 120.882 120.882 122.832 -1.950 19340 9681 1 19 . 1 1 103 103 ALA HA H 103 4.243 4.243 3.988 0.255 19340 9682 1 19 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.892 -0.305 19340 9683 1 19 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.280 2.346 19340 9684 1 19 . 1 1 103 103 ALA H H 103 8.049 8.049 8.279 -0.230 19340 9685 1 19 . 1 1 104 104 VAL N N 104 116.191 116.191 118.655 -2.464 19340 9686 1 19 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.372 -0.123 19340 9687 1 19 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.756 0.358 19340 9688 1 19 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.790 -0.776 19340 9689 1 19 . 1 1 104 104 VAL H H 104 8.572 8.572 8.145 0.427 19340 9690 1 19 . 1 1 105 105 ALA N N 105 121.884 121.884 120.456 1.428 19340 9691 1 19 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.219 -0.328 19340 9692 1 19 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.372 0.931 19340 9693 1 19 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.346 0.136 19340 9694 1 19 . 1 1 105 105 ALA H H 105 8.347 8.347 7.742 0.605 19340 9695 1 19 . 1 1 106 106 GLN N N 106 113.657 113.657 118.506 -4.849 19340 9696 1 19 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.122 -0.091 19340 9697 1 19 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.238 0.110 19340 9698 1 19 . 1 1 106 106 GLN CB C 106 35.247 35.247 28.907 6.340 19340 9699 1 19 . 1 1 106 106 GLN H H 106 7.838 7.838 7.817 0.021 19340 9700 1 19 . 1 1 107 107 ALA N N 107 117.818 117.818 120.842 -3.024 19340 9701 1 19 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.346 -0.092 19340 9702 1 19 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.796 0.359 19340 9703 1 19 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.015 3.143 19340 9704 1 19 . 1 1 107 107 ALA H H 107 8.145 8.145 7.694 0.451 19340 9705 1 19 . 1 1 108 108 LEU N N 108 113.428 113.428 118.514 -5.086 19340 9706 1 19 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.205 0.217 19340 9707 1 19 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.955 -1.550 19340 9708 1 19 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.387 0.268 19340 9709 1 19 . 1 1 108 108 LEU H H 108 8.341 8.341 7.983 0.358 19340 9710 1 20 . 1 1 2 2 SER N N 2 117.112 117.112 116.881 0.231 19340 9711 1 20 . 1 1 2 2 SER HA H 2 4.500 4.500 4.028 0.472 19340 9712 1 20 . 1 1 2 2 SER CA C 2 58.547 58.547 57.968 0.579 19340 9713 1 20 . 1 1 2 2 SER CB C 2 63.820 63.820 64.045 -0.225 19340 9714 1 20 . 1 1 2 2 SER H H 2 8.748 8.748 8.166 0.582 19340 9715 1 20 . 1 1 3 3 PHE N N 3 123.783 123.783 122.327 1.456 19340 9716 1 20 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.487 -0.266 19340 9717 1 20 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.856 2.235 19340 9718 1 20 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.582 0.285 19340 9719 1 20 . 1 1 3 3 PHE H H 3 8.398 8.398 8.509 -0.111 19340 9720 1 20 . 1 1 4 4 GLY N N 4 106.435 106.435 108.247 -1.812 19340 9721 1 20 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.832 0.387 19340 9722 1 20 . 1 1 4 4 GLY H H 4 8.699 8.699 8.340 0.359 19340 9723 1 20 . 1 1 5 5 LEU N N 5 121.041 121.041 119.465 1.576 19340 9724 1 20 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.275 -0.144 19340 9725 1 20 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.359 0.247 19340 9726 1 20 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.609 0.182 19340 9727 1 20 . 1 1 5 5 LEU H H 5 7.590 7.590 7.350 0.240 19340 9728 1 20 . 1 1 6 6 VAL N N 6 118.980 118.980 115.302 3.678 19340 9729 1 20 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.821 -0.120 19340 9730 1 20 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.570 0.198 19340 9731 1 20 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.480 0.843 19340 9732 1 20 . 1 1 6 6 VAL H H 6 7.630 7.630 7.593 0.037 19340 9733 1 20 . 1 1 7 7 LEU N N 7 120.127 120.127 116.964 3.163 19340 9734 1 20 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.220 0.040 19340 9735 1 20 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.413 0.658 19340 9736 1 20 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.403 0.389 19340 9737 1 20 . 1 1 7 7 LEU H H 7 8.171 8.171 7.465 0.706 19340 9738 1 20 . 1 1 8 8 ASN N N 8 114.592 114.592 115.896 -1.304 19340 9739 1 20 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.732 0.092 19340 9740 1 20 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.377 -0.654 19340 9741 1 20 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.525 -0.184 19340 9742 1 20 . 1 1 8 8 ASN H H 8 7.602 7.602 7.562 0.040 19340 9743 1 20 . 1 1 9 9 SER N N 9 116.029 116.029 116.692 -0.663 19340 9744 1 20 . 1 1 9 9 SER HA H 9 4.690 4.690 4.599 0.091 19340 9745 1 20 . 1 1 9 9 SER CA C 9 56.675 56.675 57.251 -0.576 19340 9746 1 20 . 1 1 9 9 SER CB C 9 64.210 64.210 63.715 0.495 19340 9747 1 20 . 1 1 9 9 SER H H 9 7.186 7.186 7.752 -0.566 19340 9748 1 20 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.460 -0.021 19340 9749 1 20 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.397 0.310 19340 9750 1 20 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.052 -0.008 19340 9751 1 20 . 1 1 11 11 ASN N N 11 114.702 114.702 113.543 1.159 19340 9752 1 20 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.834 0.225 19340 9753 1 20 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.938 0.828 19340 9754 1 20 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.167 2.120 19340 9755 1 20 . 1 1 11 11 ASN H H 11 8.150 8.150 7.864 0.286 19340 9756 1 20 . 1 1 12 12 GLY N N 12 122.938 122.938 109.925 13.013 19340 9757 1 20 . 1 1 12 12 GLY CA C 12 44.121 44.121 46.026 -1.905 19340 9758 1 20 . 1 1 12 12 GLY H H 12 7.324 7.324 7.717 -0.393 19340 9759 1 20 . 1 1 13 13 LEU N N 13 124.662 124.662 118.586 6.076 19340 9760 1 20 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.680 -0.951 19340 9761 1 20 . 1 1 13 13 LEU CA C 13 58.020 58.020 54.640 3.380 19340 9762 1 20 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.472 1.213 19340 9763 1 20 . 1 1 13 13 LEU H H 13 9.253 9.253 8.282 0.971 19340 9764 1 20 . 1 1 14 14 ARG N N 14 113.071 113.071 118.836 -5.765 19340 9765 1 20 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.178 0.110 19340 9766 1 20 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.211 -0.821 19340 9767 1 20 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.299 -0.260 19340 9768 1 20 . 1 1 14 14 ARG H H 14 8.168 8.168 8.132 0.036 19340 9769 1 20 . 1 1 15 15 SER N N 15 118.055 118.055 113.459 4.596 19340 9770 1 20 . 1 1 15 15 SER HA H 15 4.690 4.690 4.654 0.036 19340 9771 1 20 . 1 1 15 15 SER CA C 15 57.520 57.520 57.531 -0.011 19340 9772 1 20 . 1 1 15 15 SER CB C 15 65.463 65.463 64.299 1.165 19340 9773 1 20 . 1 1 15 15 SER H H 15 8.264 8.264 7.745 0.519 19340 9774 1 20 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.316 0.061 19340 9775 1 20 . 1 1 16 16 PRO CA C 16 65.354 65.354 64.972 0.382 19340 9776 1 20 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.945 -0.179 19340 9777 1 20 . 1 1 17 17 GLN N N 17 117.374 117.374 116.744 0.630 19340 9778 1 20 . 1 1 17 17 GLN HA H 17 4.115 4.115 3.982 0.133 19340 9779 1 20 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.783 0.487 19340 9780 1 20 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.180 0.714 19340 9781 1 20 . 1 1 17 17 GLN H H 17 8.661 8.661 8.807 -0.146 19340 9782 1 20 . 1 1 18 18 ALA N N 18 122.904 122.904 122.803 0.101 19340 9783 1 20 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.110 -0.241 19340 9784 1 20 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.620 0.769 19340 9785 1 20 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.209 1.108 19340 9786 1 20 . 1 1 18 18 ALA H H 18 7.785 7.785 7.520 0.265 19340 9787 1 20 . 1 1 19 19 LYS N N 19 116.947 116.947 119.213 -2.266 19340 9788 1 20 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.005 -0.253 19340 9789 1 20 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.291 1.439 19340 9790 1 20 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.254 -0.655 19340 9791 1 20 . 1 1 19 19 LYS H H 19 7.410 7.410 7.489 -0.079 19340 9792 1 20 . 1 1 20 20 ALA N N 20 119.887 119.887 121.749 -1.862 19340 9793 1 20 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.028 0.143 19340 9794 1 20 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.016 -0.007 19340 9795 1 20 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.445 -0.158 19340 9796 1 20 . 1 1 20 20 ALA H H 20 7.362 7.362 7.613 -0.251 19340 9797 1 20 . 1 1 21 21 ARG N N 21 118.182 118.182 118.955 -0.773 19340 9798 1 20 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.030 0.018 19340 9799 1 20 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.191 1.401 19340 9800 1 20 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.232 1.784 19340 9801 1 20 . 1 1 21 21 ARG H H 21 7.502 7.502 7.568 -0.066 19340 9802 1 20 . 1 1 22 22 ILE N N 22 122.484 122.484 119.965 2.519 19340 9803 1 20 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.654 -0.109 19340 9804 1 20 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.182 0.828 19340 9805 1 20 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.583 0.421 19340 9806 1 20 . 1 1 22 22 ILE H H 22 9.258 9.258 8.051 1.207 19340 9807 1 20 . 1 1 23 23 ASN N N 23 119.721 119.721 119.171 0.550 19340 9808 1 20 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.321 -0.044 19340 9809 1 20 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.771 0.387 19340 9810 1 20 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.387 0.564 19340 9811 1 20 . 1 1 23 23 ASN H H 23 8.395 8.395 7.926 0.469 19340 9812 1 20 . 1 1 24 24 ASN N N 24 117.554 117.554 118.385 -0.831 19340 9813 1 20 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.484 0.011 19340 9814 1 20 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.850 0.609 19340 9815 1 20 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.201 -0.247 19340 9816 1 20 . 1 1 24 24 ASN H H 24 8.002 8.002 7.663 0.339 19340 9817 1 20 . 1 1 25 25 LEU N N 25 123.367 123.367 121.805 1.562 19340 9818 1 20 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.008 0.146 19340 9819 1 20 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.087 -0.170 19340 9820 1 20 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.717 1.216 19340 9821 1 20 . 1 1 25 25 LEU H H 25 8.235 8.235 7.470 0.765 19340 9822 1 20 . 1 1 26 26 ALA N N 26 123.137 123.137 120.544 2.593 19340 9823 1 20 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.214 -0.345 19340 9824 1 20 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.735 0.973 19340 9825 1 20 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.272 -1.322 19340 9826 1 20 . 1 1 26 26 ALA H H 26 9.068 9.068 8.380 0.688 19340 9827 1 20 . 1 1 27 27 SER N N 27 113.809 113.809 113.894 -0.085 19340 9828 1 20 . 1 1 27 27 SER HA H 27 4.182 4.182 4.418 -0.236 19340 9829 1 20 . 1 1 27 27 SER CA C 27 62.075 62.075 60.118 1.957 19340 9830 1 20 . 1 1 27 27 SER CB C 27 62.929 62.929 63.809 -0.879 19340 9831 1 20 . 1 1 27 27 SER H H 27 8.004 8.004 7.343 0.661 19340 9832 1 20 . 1 1 28 28 ALA N N 28 124.782 124.782 125.789 -1.007 19340 9833 1 20 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.143 0.061 19340 9834 1 20 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.133 0.127 19340 9835 1 20 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.303 -0.601 19340 9836 1 20 . 1 1 28 28 ALA H H 28 7.970 7.970 7.984 -0.014 19340 9837 1 20 . 1 1 29 29 LEU N N 29 117.907 117.907 117.584 0.323 19340 9838 1 20 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.962 -0.138 19340 9839 1 20 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.224 -0.229 19340 9840 1 20 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.397 1.129 19340 9841 1 20 . 1 1 29 29 LEU H H 29 8.960 8.960 8.769 0.191 19340 9842 1 20 . 1 1 30 30 SER N N 30 112.859 112.859 112.756 0.103 19340 9843 1 20 . 1 1 30 30 SER HA H 30 4.076 4.076 4.138 -0.062 19340 9844 1 20 . 1 1 30 30 SER CA C 30 61.998 61.998 61.040 0.958 19340 9845 1 20 . 1 1 30 30 SER CB C 30 63.012 63.012 62.991 0.021 19340 9846 1 20 . 1 1 30 30 SER H H 30 7.951 7.951 8.030 -0.079 19340 9847 1 20 . 1 1 31 31 THR N N 31 109.820 109.820 115.099 -5.279 19340 9848 1 20 . 1 1 31 31 THR HA H 31 4.472 4.472 4.295 0.177 19340 9849 1 20 . 1 1 31 31 THR CA C 31 62.731 62.731 64.392 -1.661 19340 9850 1 20 . 1 1 31 31 THR CB C 31 69.362 69.362 69.281 0.081 19340 9851 1 20 . 1 1 31 31 THR H H 31 7.164 7.164 7.519 -0.355 19340 9852 1 20 . 1 1 32 32 ALA N N 32 122.926 122.926 123.099 -0.173 19340 9853 1 20 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.349 0.078 19340 9854 1 20 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.610 -0.525 19340 9855 1 20 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.755 0.871 19340 9856 1 20 . 1 1 32 32 ALA H H 32 7.997 7.997 7.848 0.149 19340 9857 1 20 . 1 1 33 33 VAL N N 33 116.339 116.339 118.147 -1.808 19340 9858 1 20 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.164 0.297 19340 9859 1 20 . 1 1 33 33 VAL CA C 33 61.601 61.601 63.105 -1.504 19340 9860 1 20 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.967 0.662 19340 9861 1 20 . 1 1 33 33 VAL H H 33 7.550 7.550 8.098 -0.548 19340 9862 1 20 . 1 1 34 34 GLY N N 34 113.114 113.114 113.717 -0.603 19340 9863 1 20 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.817 -0.548 19340 9864 1 20 . 1 1 34 34 GLY H H 34 7.886 7.886 8.563 -0.677 19340 9865 1 20 . 1 1 35 35 ARG N N 35 120.709 120.709 120.490 0.219 19340 9866 1 20 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.323 0.060 19340 9867 1 20 . 1 1 35 35 ARG CA C 35 57.900 57.900 56.930 0.970 19340 9868 1 20 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.825 0.047 19340 9869 1 20 . 1 1 35 35 ARG H H 35 8.773 8.773 8.565 0.208 19340 9870 1 20 . 1 1 36 36 ASN N N 36 114.578 114.578 116.733 -2.155 19340 9871 1 20 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.732 0.092 19340 9872 1 20 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.315 0.779 19340 9873 1 20 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.302 0.315 19340 9874 1 20 . 1 1 36 36 ASN H H 36 8.628 8.628 8.001 0.627 19340 9875 1 20 . 1 1 37 37 GLY N N 37 108.462 108.462 109.956 -1.494 19340 9876 1 20 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.812 -1.095 19340 9877 1 20 . 1 1 37 37 GLY H H 37 7.880 7.880 8.008 -0.128 19340 9878 1 20 . 1 1 38 38 VAL N N 38 121.761 121.761 120.188 1.573 19340 9879 1 20 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.268 0.109 19340 9880 1 20 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.362 -0.296 19340 9881 1 20 . 1 1 38 38 VAL CB C 38 33.771 33.771 33.940 -0.169 19340 9882 1 20 . 1 1 38 38 VAL H H 38 8.565 8.565 7.756 0.809 19340 9883 1 20 . 1 1 39 39 ASP N N 39 127.585 127.585 127.943 -0.358 19340 9884 1 20 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.869 -0.218 19340 9885 1 20 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.023 0.822 19340 9886 1 20 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.607 0.822 19340 9887 1 20 . 1 1 39 39 ASP H H 39 9.007 9.007 8.542 0.465 19340 9888 1 20 . 1 1 40 40 VAL N N 40 129.021 129.021 126.687 2.334 19340 9889 1 20 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.687 -0.192 19340 9890 1 20 . 1 1 40 40 VAL CA C 40 67.399 67.399 64.971 2.429 19340 9891 1 20 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.456 0.895 19340 9892 1 20 . 1 1 40 40 VAL H H 40 8.632 8.632 8.650 -0.018 19340 9893 1 20 . 1 1 41 41 ASN N N 41 122.301 122.301 118.327 3.974 19340 9894 1 20 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.357 0.093 19340 9895 1 20 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.768 0.243 19340 9896 1 20 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.474 -0.637 19340 9897 1 20 . 1 1 41 41 ASN H H 41 8.673 8.673 7.991 0.682 19340 9898 1 20 . 1 1 42 42 ALA N N 42 124.313 124.313 122.157 2.156 19340 9899 1 20 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.214 -0.016 19340 9900 1 20 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.520 0.351 19340 9901 1 20 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.596 0.081 19340 9902 1 20 . 1 1 42 42 ALA H H 42 8.420 8.420 7.632 0.788 19340 9903 1 20 . 1 1 43 43 PHE N N 43 119.198 119.198 119.491 -0.293 19340 9904 1 20 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.136 0.347 19340 9905 1 20 . 1 1 43 43 PHE CA C 43 58.167 58.167 61.596 -3.429 19340 9906 1 20 . 1 1 43 43 PHE CB C 43 39.174 39.174 39.131 0.043 19340 9907 1 20 . 1 1 43 43 PHE H H 43 8.611 8.611 8.748 -0.137 19340 9908 1 20 . 1 1 44 44 THR N N 44 116.700 116.700 114.346 2.354 19340 9909 1 20 . 1 1 44 44 THR HA H 44 4.349 4.349 4.082 0.268 19340 9910 1 20 . 1 1 44 44 THR CA C 44 68.443 68.443 65.965 2.478 19340 9911 1 20 . 1 1 44 44 THR CB C 44 68.248 68.248 68.543 -0.295 19340 9912 1 20 . 1 1 44 44 THR H H 44 8.881 8.881 8.902 -0.021 19340 9913 1 20 . 1 1 45 45 SER N N 45 116.018 116.018 116.232 -0.214 19340 9914 1 20 . 1 1 45 45 SER HA H 45 4.117 4.117 4.212 -0.095 19340 9915 1 20 . 1 1 45 45 SER CA C 45 62.507 62.507 62.243 0.264 19340 9916 1 20 . 1 1 45 45 SER CB C 45 62.706 62.706 63.010 -0.304 19340 9917 1 20 . 1 1 45 45 SER H H 45 8.020 8.020 7.767 0.253 19340 9918 1 20 . 1 1 46 46 GLY N N 46 108.460 108.460 109.148 -0.688 19340 9919 1 20 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.645 0.461 19340 9920 1 20 . 1 1 46 46 GLY H H 46 7.871 7.871 7.451 0.420 19340 9921 1 20 . 1 1 47 47 LEU N N 47 123.148 123.148 122.376 0.772 19340 9922 1 20 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.841 -0.011 19340 9923 1 20 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.617 0.723 19340 9924 1 20 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.527 0.905 19340 9925 1 20 . 1 1 47 47 LEU H H 47 8.221 8.221 7.415 0.806 19340 9926 1 20 . 1 1 48 48 ARG N N 48 118.694 118.694 119.170 -0.476 19340 9927 1 20 . 1 1 48 48 ARG HA H 48 3.847 3.847 4.002 -0.155 19340 9928 1 20 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.877 0.361 19340 9929 1 20 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.775 0.570 19340 9930 1 20 . 1 1 48 48 ARG H H 48 8.646 8.646 8.125 0.521 19340 9931 1 20 . 1 1 49 49 ALA N N 49 122.114 122.114 120.566 1.548 19340 9932 1 20 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.238 -0.079 19340 9933 1 20 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.837 0.371 19340 9934 1 20 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.159 -0.067 19340 9935 1 20 . 1 1 49 49 ALA H H 49 8.078 8.078 7.523 0.555 19340 9936 1 20 . 1 1 50 50 THR N N 50 115.708 115.708 116.598 -0.890 19340 9937 1 20 . 1 1 50 50 THR HA H 50 3.696 3.696 3.990 -0.294 19340 9938 1 20 . 1 1 50 50 THR CA C 50 67.692 67.692 67.287 0.405 19340 9939 1 20 . 1 1 50 50 THR CB C 50 68.599 68.599 68.906 -0.307 19340 9940 1 20 . 1 1 50 50 THR H H 50 7.577 7.577 7.969 -0.392 19340 9941 1 20 . 1 1 51 51 LEU N N 51 121.108 121.108 122.626 -1.518 19340 9942 1 20 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.127 -0.336 19340 9943 1 20 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.734 0.519 19340 9944 1 20 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.797 1.188 19340 9945 1 20 . 1 1 51 51 LEU H H 51 8.014 8.014 8.778 -0.764 19340 9946 1 20 . 1 1 52 52 SER N N 52 115.122 115.122 114.094 1.028 19340 9947 1 20 . 1 1 52 52 SER HA H 52 4.154 4.154 4.076 0.078 19340 9948 1 20 . 1 1 52 52 SER CA C 52 61.765 61.765 61.459 0.306 19340 9949 1 20 . 1 1 52 52 SER CB C 52 62.901 62.901 62.937 -0.036 19340 9950 1 20 . 1 1 52 52 SER H H 52 8.442 8.442 7.823 0.619 19340 9951 1 20 . 1 1 53 53 ASN N N 53 119.438 119.438 119.775 -0.337 19340 9952 1 20 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.514 0.126 19340 9953 1 20 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.121 -0.128 19340 9954 1 20 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.830 0.678 19340 9955 1 20 . 1 1 53 53 ASN H H 53 7.705 7.705 7.824 -0.119 19340 9956 1 20 . 1 1 54 54 LEU N N 54 120.042 120.042 120.225 -0.183 19340 9957 1 20 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.280 -0.087 19340 9958 1 20 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.101 0.014 19340 9959 1 20 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.215 0.773 19340 9960 1 20 . 1 1 54 54 LEU H H 54 7.811 7.811 8.596 -0.785 19340 9961 1 20 . 1 1 55 55 GLY N N 55 109.450 109.450 106.035 3.415 19340 9962 1 20 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.391 1.285 19340 9963 1 20 . 1 1 55 55 GLY H H 55 8.074 8.074 8.092 -0.018 19340 9964 1 20 . 1 1 56 56 ASP N N 56 121.016 121.016 118.227 2.789 19340 9965 1 20 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.808 -0.051 19340 9966 1 20 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.888 0.923 19340 9967 1 20 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.440 -0.902 19340 9968 1 20 . 1 1 56 56 ASP H H 56 8.144 8.144 7.348 0.796 19340 9969 1 20 . 1 1 57 57 SER N N 57 113.978 113.978 114.642 -0.664 19340 9970 1 20 . 1 1 57 57 SER HA H 57 4.305 4.305 4.477 -0.172 19340 9971 1 20 . 1 1 57 57 SER CA C 57 60.031 60.031 59.603 0.428 19340 9972 1 20 . 1 1 57 57 SER CB C 57 65.212 65.212 64.338 0.874 19340 9973 1 20 . 1 1 57 57 SER H H 57 7.742 7.742 7.847 -0.105 19340 9974 1 20 . 1 1 58 58 GLY N N 58 110.315 110.315 108.179 2.136 19340 9975 1 20 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.714 0.976 19340 9976 1 20 . 1 1 58 58 GLY H H 58 8.306 8.306 7.969 0.337 19340 9977 1 20 . 1 1 59 59 MET N N 59 120.024 120.024 117.529 2.495 19340 9978 1 20 . 1 1 59 59 MET HA H 59 4.416 4.416 4.872 -0.456 19340 9979 1 20 . 1 1 59 59 MET CA C 59 56.597 56.597 54.855 1.742 19340 9980 1 20 . 1 1 59 59 MET CB C 59 34.328 34.328 34.585 -0.257 19340 9981 1 20 . 1 1 59 59 MET H H 59 7.686 7.686 7.391 0.295 19340 9982 1 20 . 1 1 60 60 SER N N 60 122.795 122.795 113.046 9.749 19340 9983 1 20 . 1 1 60 60 SER HA H 60 4.601 4.601 4.877 -0.276 19340 9984 1 20 . 1 1 60 60 SER CA C 60 57.598 57.598 56.050 1.548 19340 9985 1 20 . 1 1 60 60 SER CB C 60 62.511 62.511 64.314 -1.803 19340 9986 1 20 . 1 1 60 60 SER H H 60 9.088 9.088 8.300 0.788 19340 9987 1 20 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.459 -0.244 19340 9988 1 20 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.843 1.779 19340 9989 1 20 . 1 1 61 61 PRO CB C 61 31.961 31.961 32.141 -0.180 19340 9990 1 20 . 1 1 62 62 ASN N N 62 113.170 113.170 115.654 -2.484 19340 9991 1 20 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.684 -0.307 19340 9992 1 20 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.165 1.251 19340 9993 1 20 . 1 1 62 62 ASN CB C 62 38.004 38.004 38.750 -0.746 19340 9994 1 20 . 1 1 62 62 ASN H H 62 8.389 8.389 8.235 0.154 19340 9995 1 20 . 1 1 63 63 GLU N N 63 120.222 120.222 119.820 0.402 19340 9996 1 20 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.088 -0.336 19340 9997 1 20 . 1 1 63 63 GLU CA C 63 59.668 59.668 59.027 0.641 19340 9998 1 20 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.102 8.735 19340 9999 1 20 . 1 1 63 63 GLU H H 63 7.428 7.428 8.530 -1.102 19340 10000 1 20 . 1 1 64 64 ALA N N 64 120.568 120.568 121.829 -1.261 19340 10001 1 20 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.089 -0.013 19340 10002 1 20 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.326 -0.506 19340 10003 1 20 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.460 -0.119 19340 10004 1 20 . 1 1 64 64 ALA H H 64 8.640 8.640 7.920 0.720 19340 10005 1 20 . 1 1 65 65 LYS N N 65 115.104 115.104 117.118 -2.014 19340 10006 1 20 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.063 -0.440 19340 10007 1 20 . 1 1 65 65 LYS CA C 65 60.876 60.876 58.858 2.018 19340 10008 1 20 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.152 0.700 19340 10009 1 20 . 1 1 65 65 LYS H H 65 7.472 7.472 7.530 -0.058 19340 10010 1 20 . 1 1 66 66 VAL N N 66 116.911 116.911 119.953 -3.042 19340 10011 1 20 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.976 -0.425 19340 10012 1 20 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.734 2.570 19340 10013 1 20 . 1 1 66 66 VAL CB C 66 31.543 31.543 31.952 -0.409 19340 10014 1 20 . 1 1 66 66 VAL H H 66 7.045 7.045 7.298 -0.253 19340 10015 1 20 . 1 1 67 67 GLU N N 67 120.755 120.755 120.014 0.741 19340 10016 1 20 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.053 -0.011 19340 10017 1 20 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.898 -1.489 19340 10018 1 20 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.861 3.074 19340 10019 1 20 . 1 1 67 67 GLU H H 67 8.439 8.439 8.486 -0.047 19340 10020 1 20 . 1 1 68 68 VAL N N 68 119.280 119.280 115.452 3.828 19340 10021 1 20 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.701 -0.346 19340 10022 1 20 . 1 1 68 68 VAL CA C 68 67.433 67.433 65.882 1.551 19340 10023 1 20 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.336 -0.684 19340 10024 1 20 . 1 1 68 68 VAL H H 68 8.473 8.473 7.883 0.590 19340 10025 1 20 . 1 1 69 69 LEU N N 69 117.578 117.578 119.485 -1.907 19340 10026 1 20 . 1 1 69 69 LEU HA H 69 3.958 3.958 3.993 -0.035 19340 10027 1 20 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.470 0.887 19340 10028 1 20 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.421 0.677 19340 10029 1 20 . 1 1 69 69 LEU H H 69 7.292 7.292 7.470 -0.178 19340 10030 1 20 . 1 1 70 70 LEU N N 70 118.482 118.482 118.860 -0.378 19340 10031 1 20 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.963 0.018 19340 10032 1 20 . 1 1 70 70 LEU CA C 70 58.374 58.374 57.832 0.542 19340 10033 1 20 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.951 0.230 19340 10034 1 20 . 1 1 70 70 LEU H H 70 8.237 8.237 7.545 0.692 19340 10035 1 20 . 1 1 71 71 GLU N N 71 123.582 123.582 119.807 3.775 19340 10036 1 20 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.943 -0.219 19340 10037 1 20 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.764 1.319 19340 10038 1 20 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.588 7.720 19340 10039 1 20 . 1 1 71 71 GLU H H 71 8.915 8.915 7.769 1.146 19340 10040 1 20 . 1 1 72 72 ALA N N 72 123.321 123.321 121.596 1.725 19340 10041 1 20 . 1 1 72 72 ALA HA H 72 4.064 4.064 3.987 0.077 19340 10042 1 20 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.050 0.650 19340 10043 1 20 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.523 -0.682 19340 10044 1 20 . 1 1 72 72 ALA H H 72 8.994 8.994 8.138 0.856 19340 10045 1 20 . 1 1 73 73 LEU N N 73 118.574 118.574 118.932 -0.358 19340 10046 1 20 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.062 -0.104 19340 10047 1 20 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.490 0.746 19340 10048 1 20 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.977 0.371 19340 10049 1 20 . 1 1 73 73 LEU H H 73 8.544 8.544 7.486 1.058 19340 10050 1 20 . 1 1 74 74 THR N N 74 115.785 115.785 115.519 0.266 19340 10051 1 20 . 1 1 74 74 THR HA H 74 3.578 3.578 3.903 -0.325 19340 10052 1 20 . 1 1 74 74 THR CA C 74 68.727 68.727 67.010 1.717 19340 10053 1 20 . 1 1 74 74 THR CB C 74 67.691 67.691 68.200 -0.509 19340 10054 1 20 . 1 1 74 74 THR H H 74 8.137 8.137 8.115 0.022 19340 10055 1 20 . 1 1 75 75 ALA N N 75 123.543 123.543 123.192 0.351 19340 10056 1 20 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.362 -0.666 19340 10057 1 20 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.829 0.733 19340 10058 1 20 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.297 1.077 19340 10059 1 20 . 1 1 75 75 ALA H H 75 8.585 8.585 7.580 1.005 19340 10060 1 20 . 1 1 76 76 ALA N N 76 118.729 118.729 121.072 -2.343 19340 10061 1 20 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.048 -0.274 19340 10062 1 20 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.412 1.029 19340 10063 1 20 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.637 -0.488 19340 10064 1 20 . 1 1 76 76 ALA H H 76 8.199 8.199 7.225 0.974 19340 10065 1 20 . 1 1 77 77 LEU N N 77 117.321 117.321 119.436 -2.115 19340 10066 1 20 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.818 0.057 19340 10067 1 20 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.919 0.283 19340 10068 1 20 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.703 -1.081 19340 10069 1 20 . 1 1 77 77 LEU H H 77 8.265 8.265 8.740 -0.475 19340 10070 1 20 . 1 1 78 78 GLN N N 78 121.687 121.687 117.816 3.871 19340 10071 1 20 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.012 -0.199 19340 10072 1 20 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.410 0.223 19340 10073 1 20 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.300 4.139 19340 10074 1 20 . 1 1 78 78 GLN H H 78 8.776 8.776 7.958 0.818 19340 10075 1 20 . 1 1 79 79 LEU N N 79 120.042 120.042 120.758 -0.716 19340 10076 1 20 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.163 -0.155 19340 10077 1 20 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.413 0.323 19340 10078 1 20 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.213 0.330 19340 10079 1 20 . 1 1 79 79 LEU H H 79 7.990 7.990 7.333 0.657 19340 10080 1 20 . 1 1 80 80 LEU N N 80 122.157 122.157 120.284 1.873 19340 10081 1 20 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.012 -0.188 19340 10082 1 20 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.141 0.948 19340 10083 1 20 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.966 2.438 19340 10084 1 20 . 1 1 80 80 LEU H H 80 8.454 8.454 8.483 -0.029 19340 10085 1 20 . 1 1 81 81 SER N N 81 114.179 114.179 114.373 -0.194 19340 10086 1 20 . 1 1 81 81 SER HA H 81 3.897 3.897 4.258 -0.361 19340 10087 1 20 . 1 1 81 81 SER CA C 81 61.756 61.756 60.564 1.192 19340 10088 1 20 . 1 1 81 81 SER CB C 81 63.486 63.486 62.918 0.568 19340 10089 1 20 . 1 1 81 81 SER H H 81 8.006 8.006 7.913 0.093 19340 10090 1 20 . 1 1 82 82 SER N N 82 113.392 113.392 114.629 -1.237 19340 10091 1 20 . 1 1 82 82 SER HA H 82 4.718 4.718 4.702 0.016 19340 10092 1 20 . 1 1 82 82 SER CA C 82 57.718 57.718 57.578 0.140 19340 10093 1 20 . 1 1 82 82 SER CB C 82 64.377 64.377 64.348 0.029 19340 10094 1 20 . 1 1 82 82 SER H H 82 7.160 7.160 7.924 -0.764 19340 10095 1 20 . 1 1 83 83 SER N N 83 117.607 117.607 118.508 -0.901 19340 10096 1 20 . 1 1 83 83 SER HA H 83 4.885 4.885 4.634 0.251 19340 10097 1 20 . 1 1 83 83 SER CA C 83 59.263 59.263 57.799 1.464 19340 10098 1 20 . 1 1 83 83 SER CB C 83 65.352 65.352 64.898 0.454 19340 10099 1 20 . 1 1 83 83 SER H H 83 7.369 7.369 7.713 -0.344 19340 10100 1 20 . 1 1 84 84 THR N N 84 117.656 117.656 114.435 3.221 19340 10101 1 20 . 1 1 84 84 THR HA H 84 4.545 4.545 4.445 0.100 19340 10102 1 20 . 1 1 84 84 THR CA C 84 62.006 62.006 62.260 -0.254 19340 10103 1 20 . 1 1 84 84 THR CB C 84 69.724 69.724 69.339 0.385 19340 10104 1 20 . 1 1 84 84 THR H H 84 8.488 8.488 8.304 0.184 19340 10105 1 20 . 1 1 85 85 LEU N N 85 130.429 130.429 119.748 10.681 19340 10106 1 20 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.121 0.167 19340 10107 1 20 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.252 1.043 19340 10108 1 20 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.385 2.006 19340 10109 1 20 . 1 1 85 85 LEU H H 85 8.878 8.878 7.708 1.170 19340 10110 1 20 . 1 1 86 86 GLY N N 86 112.150 112.150 107.050 5.100 19340 10111 1 20 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.622 -1.820 19340 10112 1 20 . 1 1 86 86 GLY H H 86 7.901 7.901 8.885 -0.984 19340 10113 1 20 . 1 1 87 87 ALA N N 87 122.559 122.559 122.436 0.123 19340 10114 1 20 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.491 -0.207 19340 10115 1 20 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.118 -0.163 19340 10116 1 20 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.707 -0.362 19340 10117 1 20 . 1 1 87 87 ALA H H 87 8.113 8.113 7.606 0.507 19340 10118 1 20 . 1 1 88 88 VAL N N 88 122.375 122.375 117.916 4.459 19340 10119 1 20 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.285 -0.478 19340 10120 1 20 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.700 0.264 19340 10121 1 20 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.798 -0.169 19340 10122 1 20 . 1 1 88 88 VAL H H 88 8.447 8.447 8.313 0.134 19340 10123 1 20 . 1 1 89 89 ASP N N 89 127.408 127.408 119.698 7.710 19340 10124 1 20 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.481 0.377 19340 10125 1 20 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.758 -2.156 19340 10126 1 20 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.835 0.982 19340 10127 1 20 . 1 1 89 89 ASP H H 89 8.570 8.570 8.451 0.119 19340 10128 1 20 . 1 1 90 90 THR N N 90 116.481 116.481 109.706 6.775 19340 10129 1 20 . 1 1 90 90 THR HA H 90 3.953 3.953 4.106 -0.153 19340 10130 1 20 . 1 1 90 90 THR CA C 90 63.879 63.879 64.111 -0.232 19340 10131 1 20 . 1 1 90 90 THR CB C 90 68.833 68.833 69.093 -0.260 19340 10132 1 20 . 1 1 90 90 THR H H 90 8.539 8.539 8.312 0.227 19340 10133 1 20 . 1 1 91 91 THR N N 91 114.681 114.681 114.691 -0.010 19340 10134 1 20 . 1 1 91 91 THR HA H 91 4.182 4.182 4.271 -0.089 19340 10135 1 20 . 1 1 91 91 THR CA C 91 64.750 64.750 64.106 0.644 19340 10136 1 20 . 1 1 91 91 THR CB C 91 69.055 69.055 68.712 0.343 19340 10137 1 20 . 1 1 91 91 THR H H 91 8.335 8.335 7.921 0.414 19340 10138 1 20 . 1 1 92 92 SER N N 92 114.236 114.236 117.234 -2.998 19340 10139 1 20 . 1 1 92 92 SER HA H 92 4.668 4.668 4.587 0.081 19340 10140 1 20 . 1 1 92 92 SER CA C 92 58.460 58.460 58.612 -0.152 19340 10141 1 20 . 1 1 92 92 SER CB C 92 64.433 64.433 63.405 1.028 19340 10142 1 20 . 1 1 92 92 SER H H 92 7.642 7.642 7.599 0.043 19340 10143 1 20 . 1 1 93 93 ILE N N 93 122.128 122.128 123.159 -1.031 19340 10144 1 20 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.741 0.072 19340 10145 1 20 . 1 1 93 93 ILE CA C 93 65.130 65.130 64.916 0.214 19340 10146 1 20 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.162 1.037 19340 10147 1 20 . 1 1 93 93 ILE H H 93 7.276 7.276 7.151 0.125 19340 10148 1 20 . 1 1 94 94 GLY N N 94 108.426 108.426 107.058 1.368 19340 10149 1 20 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.147 -0.148 19340 10150 1 20 . 1 1 94 94 GLY H H 94 8.756 8.756 8.579 0.177 19340 10151 1 20 . 1 1 95 95 LEU N N 95 123.674 123.674 122.486 1.188 19340 10152 1 20 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.128 0.154 19340 10153 1 20 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.586 0.443 19340 10154 1 20 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.789 -0.527 19340 10155 1 20 . 1 1 95 95 LEU H H 95 7.568 7.568 7.483 0.085 19340 10156 1 20 . 1 1 96 96 THR N N 96 119.717 119.717 117.276 2.441 19340 10157 1 20 . 1 1 96 96 THR HA H 96 3.837 3.837 3.850 -0.013 19340 10158 1 20 . 1 1 96 96 THR CA C 96 66.683 66.683 67.388 -0.705 19340 10159 1 20 . 1 1 96 96 THR CB C 96 67.969 67.969 68.415 -0.446 19340 10160 1 20 . 1 1 96 96 THR H H 96 8.430 8.430 8.679 -0.249 19340 10161 1 20 . 1 1 97 97 SER N N 97 117.285 117.285 116.627 0.658 19340 10162 1 20 . 1 1 97 97 SER HA H 97 4.094 4.094 4.096 -0.002 19340 10163 1 20 . 1 1 97 97 SER CA C 97 62.507 62.507 62.293 0.214 19340 10164 1 20 . 1 1 97 97 SER CB C 97 62.845 62.845 63.030 -0.185 19340 10165 1 20 . 1 1 97 97 SER H H 97 9.000 9.000 8.666 0.334 19340 10166 1 20 . 1 1 98 98 ASN N N 98 121.846 121.846 118.967 2.879 19340 10167 1 20 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.552 -0.164 19340 10168 1 20 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.554 1.328 19340 10169 1 20 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.572 0.262 19340 10170 1 20 . 1 1 98 98 ASN H H 98 7.939 7.939 7.654 0.285 19340 10171 1 20 . 1 1 99 99 SER N N 99 117.585 117.585 116.932 0.653 19340 10172 1 20 . 1 1 99 99 SER HA H 99 4.204 4.204 4.183 0.022 19340 10173 1 20 . 1 1 99 99 SER CA C 99 62.886 62.886 61.827 1.059 19340 10174 1 20 . 1 1 99 99 SER CB C 99 62.984 62.984 63.113 -0.129 19340 10175 1 20 . 1 1 99 99 SER H H 99 8.370 8.370 8.098 0.272 19340 10176 1 20 . 1 1 100 100 VAL N N 100 121.524 121.524 119.354 2.170 19340 10177 1 20 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.214 0.337 19340 10178 1 20 . 1 1 100 100 VAL CA C 100 67.951 67.951 65.596 2.356 19340 10179 1 20 . 1 1 100 100 VAL CB C 100 31.654 31.654 29.941 1.713 19340 10180 1 20 . 1 1 100 100 VAL H H 100 8.565 8.565 8.031 0.534 19340 10181 1 20 . 1 1 101 101 SER N N 101 113.005 113.005 116.448 -3.443 19340 10182 1 20 . 1 1 101 101 SER HA H 101 3.875 3.875 4.109 -0.234 19340 10183 1 20 . 1 1 101 101 SER CA C 101 62.326 62.326 61.844 0.481 19340 10184 1 20 . 1 1 101 101 SER CB C 101 63.263 63.263 62.778 0.485 19340 10185 1 20 . 1 1 101 101 SER H H 101 8.272 8.272 7.748 0.524 19340 10186 1 20 . 1 1 102 102 LYS N N 102 119.357 119.357 121.402 -2.045 19340 10187 1 20 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.117 -0.097 19340 10188 1 20 . 1 1 102 102 LYS CA C 102 59.599 59.599 58.996 0.603 19340 10189 1 20 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.443 0.700 19340 10190 1 20 . 1 1 102 102 LYS H H 102 7.953 7.953 7.754 0.199 19340 10191 1 20 . 1 1 103 103 ALA N N 103 120.882 120.882 122.892 -2.010 19340 10192 1 20 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.146 0.097 19340 10193 1 20 . 1 1 103 103 ALA CA C 103 54.587 54.587 55.082 -0.495 19340 10194 1 20 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.628 1.998 19340 10195 1 20 . 1 1 103 103 ALA H H 103 8.049 8.049 8.281 -0.232 19340 10196 1 20 . 1 1 104 104 VAL N N 104 116.191 116.191 118.803 -2.612 19340 10197 1 20 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.652 -0.403 19340 10198 1 20 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.932 0.182 19340 10199 1 20 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.913 -0.898 19340 10200 1 20 . 1 1 104 104 VAL H H 104 8.572 8.572 8.453 0.119 19340 10201 1 20 . 1 1 105 105 ALA N N 105 121.884 121.884 120.457 1.427 19340 10202 1 20 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.322 -0.431 19340 10203 1 20 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.311 0.992 19340 10204 1 20 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.444 0.038 19340 10205 1 20 . 1 1 105 105 ALA H H 105 8.347 8.347 7.805 0.542 19340 10206 1 20 . 1 1 106 106 GLN N N 106 113.657 113.657 118.764 -5.107 19340 10207 1 20 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.180 -0.149 19340 10208 1 20 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.196 0.152 19340 10209 1 20 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.118 6.129 19340 10210 1 20 . 1 1 106 106 GLN H H 106 7.838 7.838 7.965 -0.127 19340 10211 1 20 . 1 1 107 107 ALA N N 107 117.818 117.818 120.536 -2.718 19340 10212 1 20 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.390 -0.136 19340 10213 1 20 . 1 1 107 107 ALA CA C 107 54.155 54.155 54.082 0.073 19340 10214 1 20 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.238 2.920 19340 10215 1 20 . 1 1 107 107 ALA H H 107 8.145 8.145 8.062 0.083 19340 10216 1 20 . 1 1 108 108 LEU N N 108 113.428 113.428 117.673 -4.245 19340 10217 1 20 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.302 0.120 19340 10218 1 20 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.371 -0.966 19340 10219 1 20 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.945 -0.290 19340 10220 1 20 . 1 1 108 108 LEU H H 108 8.341 8.341 7.920 0.421 19340 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 104 3.086 -0.605 3.040 19340 2 1 1 "Average Difference" HA 115 0.268 0.063 0.262 19340 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19340 4 1 1 "Average Difference" CA 107 1.091 -0.477 0.986 19340 5 1 1 "Average Difference" CB 98 1.693 -0.571 1.602 19340 6 1 1 "Average Difference" HN 104 0.509 -0.200 0.471 19340 7 1 2 "Average Difference" N 104 2.949 -0.393 2.936 19340 8 1 2 "Average Difference" HA 115 0.275 0.068 0.267 19340 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19340 10 1 2 "Average Difference" CA 107 1.103 -0.476 1.000 19340 11 1 2 "Average Difference" CB 98 1.684 -0.566 1.594 19340 12 1 2 "Average Difference" HN 104 0.514 -0.205 0.473 19340 13 1 3 "Average Difference" N 104 3.084 -0.592 3.042 19340 14 1 3 "Average Difference" HA 115 0.266 0.066 0.259 19340 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19340 16 1 3 "Average Difference" CA 107 1.116 -0.479 1.013 19340 17 1 3 "Average Difference" CB 98 1.701 -0.573 1.610 19340 18 1 3 "Average Difference" HN 104 0.497 -0.193 0.460 19340 19 1 4 "Average Difference" N 104 3.071 -0.594 3.028 19340 20 1 4 "Average Difference" HA 115 0.262 0.065 0.255 19340 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19340 22 1 4 "Average Difference" CA 107 1.095 -0.468 0.995 19340 23 1 4 "Average Difference" CB 98 1.700 -0.576 1.608 19340 24 1 4 "Average Difference" HN 104 0.509 -0.194 0.472 19340 25 1 5 "Average Difference" N 104 3.105 -0.638 3.054 19340 26 1 5 "Average Difference" HA 115 0.255 0.065 0.247 19340 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19340 28 1 5 "Average Difference" CA 107 1.104 -0.429 1.022 19340 29 1 5 "Average Difference" CB 98 1.672 -0.553 1.586 19340 30 1 5 "Average Difference" HN 104 0.514 -0.207 0.472 19340 31 1 6 "Average Difference" N 104 3.124 -0.588 3.083 19340 32 1 6 "Average Difference" HA 115 0.261 0.063 0.254 19340 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19340 34 1 6 "Average Difference" CA 107 1.118 -0.440 1.032 19340 35 1 6 "Average Difference" CB 98 1.686 -0.555 1.601 19340 36 1 6 "Average Difference" HN 104 0.536 -0.221 0.491 19340 37 1 7 "Average Difference" N 104 3.166 -0.602 3.123 19340 38 1 7 "Average Difference" HA 115 0.262 0.062 0.256 19340 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19340 40 1 7 "Average Difference" CA 107 1.082 -0.449 0.988 19340 41 1 7 "Average Difference" CB 98 1.680 -0.555 1.594 19340 42 1 7 "Average Difference" HN 104 0.515 -0.191 0.480 19340 43 1 8 "Average Difference" N 104 3.078 -0.629 3.027 19340 44 1 8 "Average Difference" HA 115 0.260 0.059 0.255 19340 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19340 46 1 8 "Average Difference" CA 107 1.137 -0.442 1.053 19340 47 1 8 "Average Difference" CB 98 1.672 -0.548 1.588 19340 48 1 8 "Average Difference" HN 104 0.519 -0.197 0.483 19340 49 1 9 "Average Difference" N 104 3.085 -0.628 3.035 19340 50 1 9 "Average Difference" HA 115 0.262 0.055 0.257 19340 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19340 52 1 9 "Average Difference" CA 107 1.168 -0.457 1.080 19340 53 1 9 "Average Difference" CB 98 1.690 -0.564 1.601 19340 54 1 9 "Average Difference" HN 104 0.530 -0.222 0.484 19340 55 1 10 "Average Difference" N 104 2.965 -0.425 2.949 19340 56 1 10 "Average Difference" HA 115 0.271 0.071 0.263 19340 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19340 58 1 10 "Average Difference" CA 107 1.102 -0.466 1.003 19340 59 1 10 "Average Difference" CB 98 1.703 -0.562 1.616 19340 60 1 10 "Average Difference" HN 104 0.502 -0.187 0.468 19340 61 1 11 "Average Difference" N 104 3.163 -0.715 3.096 19340 62 1 11 "Average Difference" HA 115 0.258 0.063 0.251 19340 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19340 64 1 11 "Average Difference" CA 107 1.058 -0.467 0.954 19340 65 1 11 "Average Difference" CB 98 1.673 -0.532 1.595 19340 66 1 11 "Average Difference" HN 104 0.513 -0.219 0.466 19340 67 1 12 "Average Difference" N 104 2.954 -0.452 2.933 19340 68 1 12 "Average Difference" HA 115 0.256 0.063 0.249 19340 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19340 70 1 12 "Average Difference" CA 107 1.150 -0.430 1.071 19340 71 1 12 "Average Difference" CB 98 1.685 -0.531 1.607 19340 72 1 12 "Average Difference" HN 104 0.515 -0.199 0.477 19340 73 1 13 "Average Difference" N 104 3.074 -0.554 3.038 19340 74 1 13 "Average Difference" HA 115 0.254 0.059 0.248 19340 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19340 76 1 13 "Average Difference" CA 107 1.138 -0.418 1.064 19340 77 1 13 "Average Difference" CB 98 1.696 -0.558 1.610 19340 78 1 13 "Average Difference" HN 104 0.520 -0.199 0.482 19340 79 1 14 "Average Difference" N 104 3.120 -0.671 3.061 19340 80 1 14 "Average Difference" HA 115 0.266 0.060 0.260 19340 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19340 82 1 14 "Average Difference" CA 107 1.151 -0.407 1.082 19340 83 1 14 "Average Difference" CB 98 1.673 -0.538 1.592 19340 84 1 14 "Average Difference" HN 104 0.521 -0.210 0.480 19340 85 1 15 "Average Difference" N 104 3.056 -0.551 3.020 19340 86 1 15 "Average Difference" HA 115 0.269 0.067 0.262 19340 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19340 88 1 15 "Average Difference" CA 107 1.136 -0.476 1.037 19340 89 1 15 "Average Difference" CB 98 1.690 -0.542 1.609 19340 90 1 15 "Average Difference" HN 104 0.505 -0.205 0.463 19340 91 1 16 "Average Difference" N 104 3.081 -0.615 3.034 19340 92 1 16 "Average Difference" HA 115 0.258 0.065 0.251 19340 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19340 94 1 16 "Average Difference" CA 107 1.049 -0.469 0.943 19340 95 1 16 "Average Difference" CB 98 1.664 -0.520 1.588 19340 96 1 16 "Average Difference" HN 104 0.510 -0.198 0.473 19340 97 1 17 "Average Difference" N 104 3.096 -0.627 3.047 19340 98 1 17 "Average Difference" HA 115 0.266 0.070 0.258 19340 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19340 100 1 17 "Average Difference" CA 107 1.097 -0.477 0.992 19340 101 1 17 "Average Difference" CB 98 1.678 -0.557 1.591 19340 102 1 17 "Average Difference" HN 104 0.498 -0.203 0.457 19340 103 1 18 "Average Difference" N 104 3.121 -0.602 3.078 19340 104 1 18 "Average Difference" HA 115 0.260 0.062 0.254 19340 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19340 106 1 18 "Average Difference" CA 107 1.077 -0.470 0.973 19340 107 1 18 "Average Difference" CB 98 1.678 -0.548 1.594 19340 108 1 18 "Average Difference" HN 104 0.515 -0.207 0.474 19340 109 1 19 "Average Difference" N 104 3.139 -0.654 3.085 19340 110 1 19 "Average Difference" HA 115 0.260 0.072 0.251 19340 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19340 112 1 19 "Average Difference" CA 107 1.077 -0.486 0.966 19340 113 1 19 "Average Difference" CB 98 1.693 -0.572 1.601 19340 114 1 19 "Average Difference" HN 104 0.501 -0.201 0.461 19340 115 1 20 "Average Difference" N 104 3.113 -0.662 3.056 19340 116 1 20 "Average Difference" HA 115 0.266 0.063 0.260 19340 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19340 118 1 20 "Average Difference" CA 107 1.122 -0.439 1.037 19340 119 1 20 "Average Difference" CB 98 1.660 -0.565 1.568 19340 120 1 20 "Average Difference" HN 104 0.524 -0.213 0.482 19340 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 19340 _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 SER N N 2 117.112 117.112 116.374 0.738 19340 2 1 . 1 1 2 2 SER HA H 2 4.500 4.500 4.127 0.373 19340 3 1 . 1 1 2 2 SER CA C 2 58.547 58.547 58.053 0.494 19340 4 1 . 1 1 2 2 SER CB C 2 63.820 63.820 64.170 -0.350 19340 5 1 . 1 1 2 2 SER H H 2 8.748 8.748 8.068 0.680 19340 6 1 . 1 1 3 3 PHE N N 3 123.783 123.783 122.397 1.386 19340 7 1 . 1 1 3 3 PHE HA H 3 4.221 4.221 4.495 -0.274 19340 8 1 . 1 1 3 3 PHE CA C 3 61.091 61.091 58.884 2.207 19340 9 1 . 1 1 3 3 PHE CB C 3 38.867 38.867 38.688 0.180 19340 10 1 . 1 1 3 3 PHE H H 3 8.398 8.398 8.653 -0.255 19340 11 1 . 1 1 4 4 GLY N N 4 106.435 106.435 107.959 -1.523 19340 12 1 . 1 1 4 4 GLY CA C 4 47.219 47.219 46.662 0.557 19340 13 1 . 1 1 4 4 GLY H H 4 8.699 8.699 8.303 0.396 19340 14 1 . 1 1 5 5 LEU N N 5 121.041 121.041 119.759 1.282 19340 15 1 . 1 1 5 5 LEU HA H 5 4.131 4.131 4.272 -0.141 19340 16 1 . 1 1 5 5 LEU CA C 5 57.606 57.606 57.298 0.308 19340 17 1 . 1 1 5 5 LEU CB C 5 41.791 41.791 41.576 0.215 19340 18 1 . 1 1 5 5 LEU H H 5 7.590 7.590 7.457 0.133 19340 19 1 . 1 1 6 6 VAL N N 6 118.980 118.980 115.053 3.927 19340 20 1 . 1 1 6 6 VAL HA H 6 3.701 3.701 3.822 -0.121 19340 21 1 . 1 1 6 6 VAL CA C 6 65.768 65.768 65.479 0.289 19340 22 1 . 1 1 6 6 VAL CB C 6 32.323 32.323 31.631 0.692 19340 23 1 . 1 1 6 6 VAL H H 6 7.630 7.630 7.569 0.061 19340 24 1 . 1 1 7 7 LEU N N 7 120.127 120.127 117.206 2.921 19340 25 1 . 1 1 7 7 LEU HA H 7 4.260 4.260 4.208 0.052 19340 26 1 . 1 1 7 7 LEU CA C 7 57.071 57.071 56.525 0.546 19340 27 1 . 1 1 7 7 LEU CB C 7 41.791 41.791 41.491 0.300 19340 28 1 . 1 1 7 7 LEU H H 7 8.171 8.171 7.509 0.662 19340 29 1 . 1 1 8 8 ASN N N 8 114.592 114.592 115.550 -0.958 19340 30 1 . 1 1 8 8 ASN HA H 8 4.824 4.824 4.734 0.090 19340 31 1 . 1 1 8 8 ASN CA C 8 52.723 52.723 53.177 -0.454 19340 32 1 . 1 1 8 8 ASN CB C 8 39.341 39.341 39.466 -0.125 19340 33 1 . 1 1 8 8 ASN H H 8 7.602 7.602 7.537 0.065 19340 34 1 . 1 1 9 9 SER N N 9 116.029 116.029 116.735 -0.706 19340 35 1 . 1 1 9 9 SER HA H 9 4.690 4.690 4.554 0.136 19340 36 1 . 1 1 9 9 SER CA C 9 56.675 56.675 57.490 -0.815 19340 37 1 . 1 1 9 9 SER CB C 9 64.210 64.210 63.626 0.584 19340 38 1 . 1 1 9 9 SER H H 9 7.186 7.186 7.758 -0.572 19340 39 1 . 1 1 10 10 PRO HA H 10 4.439 4.439 4.453 -0.014 19340 40 1 . 1 1 10 10 PRO CA C 10 64.707 64.707 64.476 0.231 19340 41 1 . 1 1 10 10 PRO CB C 10 32.044 32.044 32.045 -0.001 19340 42 1 . 1 1 11 11 ASN N N 11 114.702 114.702 113.649 1.053 19340 43 1 . 1 1 11 11 ASN HA H 11 5.059 5.059 4.835 0.224 19340 44 1 . 1 1 11 11 ASN CA C 11 52.766 52.766 51.988 0.778 19340 45 1 . 1 1 11 11 ASN CB C 11 40.287 40.287 38.149 2.138 19340 46 1 . 1 1 11 11 ASN H H 11 8.150 8.150 7.887 0.263 19340 47 1 . 1 1 12 12 GLY N N 12 122.938 122.938 109.455 13.483 19340 48 1 . 1 1 12 12 GLY CA C 12 44.121 44.121 45.776 -1.655 19340 49 1 . 1 1 12 12 GLY H H 12 7.324 7.324 7.678 -0.354 19340 50 1 . 1 1 13 13 LEU N N 13 124.662 124.662 119.715 4.947 19340 51 1 . 1 1 13 13 LEU HA H 13 3.729 3.729 4.549 -0.820 19340 52 1 . 1 1 13 13 LEU CA C 13 58.020 58.020 55.156 2.865 19340 53 1 . 1 1 13 13 LEU CB C 13 43.685 43.685 42.433 1.252 19340 54 1 . 1 1 13 13 LEU H H 13 9.253 9.253 8.276 0.977 19340 55 1 . 1 1 14 14 ARG N N 14 113.071 113.071 118.876 -5.805 19340 56 1 . 1 1 14 14 ARG HA H 14 4.288 4.288 4.195 0.093 19340 57 1 . 1 1 14 14 ARG CA C 14 56.390 56.390 57.082 -0.692 19340 58 1 . 1 1 14 14 ARG CB C 14 30.039 30.039 30.349 -0.310 19340 59 1 . 1 1 14 14 ARG H H 14 8.168 8.168 8.061 0.107 19340 60 1 . 1 1 15 15 SER N N 15 118.055 118.055 113.850 4.205 19340 61 1 . 1 1 15 15 SER HA H 15 4.690 4.690 4.696 -0.006 19340 62 1 . 1 1 15 15 SER CA C 15 57.520 57.520 57.401 0.119 19340 63 1 . 1 1 15 15 SER CB C 15 65.463 65.463 64.335 1.128 19340 64 1 . 1 1 15 15 SER H H 15 8.264 8.264 7.708 0.556 19340 65 1 . 1 1 16 16 PRO HA H 16 4.377 4.377 4.311 0.066 19340 66 1 . 1 1 16 16 PRO CA C 16 65.354 65.354 65.007 0.347 19340 67 1 . 1 1 16 16 PRO CB C 16 31.766 31.766 31.953 -0.187 19340 68 1 . 1 1 17 17 GLN N N 17 117.374 117.374 117.727 -0.353 19340 69 1 . 1 1 17 17 GLN HA H 17 4.115 4.115 4.060 0.055 19340 70 1 . 1 1 17 17 GLN CA C 17 59.271 59.271 58.734 0.537 19340 71 1 . 1 1 17 17 GLN CB C 17 27.894 27.894 27.212 0.682 19340 72 1 . 1 1 17 17 GLN H H 17 8.661 8.661 8.783 -0.122 19340 73 1 . 1 1 18 18 ALA N N 18 122.904 122.904 122.748 0.156 19340 74 1 . 1 1 18 18 ALA HA H 18 3.869 3.869 4.130 -0.261 19340 75 1 . 1 1 18 18 ALA CA C 18 55.389 55.389 54.733 0.656 19340 76 1 . 1 1 18 18 ALA CB C 18 19.317 19.317 18.328 0.989 19340 77 1 . 1 1 18 18 ALA H H 18 7.785 7.785 7.764 0.021 19340 78 1 . 1 1 19 19 LYS N N 19 116.947 116.947 119.225 -2.278 19340 79 1 . 1 1 19 19 LYS HA H 19 3.752 3.752 4.022 -0.270 19340 80 1 . 1 1 19 19 LYS CA C 19 60.730 60.730 59.272 1.458 19340 81 1 . 1 1 19 19 LYS CB C 19 31.599 31.599 32.193 -0.594 19340 82 1 . 1 1 19 19 LYS H H 19 7.410 7.410 7.487 -0.077 19340 83 1 . 1 1 20 20 ALA N N 20 119.887 119.887 121.964 -2.077 19340 84 1 . 1 1 20 20 ALA HA H 20 4.171 4.171 4.033 0.138 19340 85 1 . 1 1 20 20 ALA CA C 20 55.009 55.009 55.028 -0.019 19340 86 1 . 1 1 20 20 ALA CB C 20 18.287 18.287 18.422 -0.135 19340 87 1 . 1 1 20 20 ALA H H 20 7.362 7.362 7.626 -0.263 19340 88 1 . 1 1 21 21 ARG N N 21 118.182 118.182 118.753 -0.571 19340 89 1 . 1 1 21 21 ARG HA H 21 4.048 4.048 4.020 0.028 19340 90 1 . 1 1 21 21 ARG CA C 21 60.592 60.592 59.250 1.342 19340 91 1 . 1 1 21 21 ARG CB C 21 32.016 32.016 30.272 1.744 19340 92 1 . 1 1 21 21 ARG H H 21 7.502 7.502 7.542 -0.040 19340 93 1 . 1 1 22 22 ILE N N 22 122.484 122.484 119.891 2.593 19340 94 1 . 1 1 22 22 ILE HA H 22 3.545 3.545 3.696 -0.151 19340 95 1 . 1 1 22 22 ILE CA C 22 66.010 66.010 65.257 0.754 19340 96 1 . 1 1 22 22 ILE CB C 22 38.004 38.004 37.539 0.465 19340 97 1 . 1 1 22 22 ILE H H 22 9.258 9.258 8.088 1.170 19340 98 1 . 1 1 23 23 ASN N N 23 119.721 119.721 118.866 0.855 19340 99 1 . 1 1 23 23 ASN HA H 23 4.277 4.277 4.330 -0.053 19340 100 1 . 1 1 23 23 ASN CA C 23 57.158 57.158 56.819 0.339 19340 101 1 . 1 1 23 23 ASN CB C 23 38.951 38.951 38.328 0.623 19340 102 1 . 1 1 23 23 ASN H H 23 8.395 8.395 7.960 0.435 19340 103 1 . 1 1 24 24 ASN N N 24 117.554 117.554 118.263 -0.709 19340 104 1 . 1 1 24 24 ASN HA H 24 4.495 4.495 4.492 0.003 19340 105 1 . 1 1 24 24 ASN CA C 24 56.459 56.459 55.794 0.665 19340 106 1 . 1 1 24 24 ASN CB C 24 37.954 37.954 38.100 -0.146 19340 107 1 . 1 1 24 24 ASN H H 24 8.002 8.002 7.689 0.313 19340 108 1 . 1 1 25 25 LEU N N 25 123.367 123.367 121.882 1.485 19340 109 1 . 1 1 25 25 LEU HA H 25 4.154 4.154 4.098 0.056 19340 110 1 . 1 1 25 25 LEU CA C 25 57.917 57.917 58.300 -0.383 19340 111 1 . 1 1 25 25 LEU CB C 25 42.933 42.933 41.841 1.092 19340 112 1 . 1 1 25 25 LEU H H 25 8.235 8.235 7.621 0.614 19340 113 1 . 1 1 26 26 ALA N N 26 123.137 123.137 120.133 3.004 19340 114 1 . 1 1 26 26 ALA HA H 26 3.869 3.869 4.141 -0.272 19340 115 1 . 1 1 26 26 ALA CA C 26 55.708 55.708 54.783 0.925 19340 116 1 . 1 1 26 26 ALA CB C 26 16.950 16.950 18.197 -1.247 19340 117 1 . 1 1 26 26 ALA H H 26 9.068 9.068 8.396 0.671 19340 118 1 . 1 1 27 27 SER N N 27 113.809 113.809 113.145 0.664 19340 119 1 . 1 1 27 27 SER HA H 27 4.182 4.182 4.456 -0.274 19340 120 1 . 1 1 27 27 SER CA C 27 62.075 62.075 60.075 2.000 19340 121 1 . 1 1 27 27 SER CB C 27 62.929 62.929 64.026 -1.097 19340 122 1 . 1 1 27 27 SER H H 27 8.004 8.004 7.389 0.615 19340 123 1 . 1 1 28 28 ALA N N 28 124.782 124.782 125.672 -0.890 19340 124 1 . 1 1 28 28 ALA HA H 28 4.204 4.204 4.077 0.127 19340 125 1 . 1 1 28 28 ALA CA C 28 55.260 55.260 55.185 0.075 19340 126 1 . 1 1 28 28 ALA CB C 28 17.702 17.702 18.396 -0.694 19340 127 1 . 1 1 28 28 ALA H H 28 7.970 7.970 7.897 0.073 19340 128 1 . 1 1 29 29 LEU N N 29 117.907 117.907 117.646 0.261 19340 129 1 . 1 1 29 29 LEU HA H 29 3.824 3.824 3.907 -0.083 19340 130 1 . 1 1 29 29 LEU CA C 29 57.995 57.995 58.128 -0.134 19340 131 1 . 1 1 29 29 LEU CB C 29 42.526 42.526 41.420 1.106 19340 132 1 . 1 1 29 29 LEU H H 29 8.960 8.960 8.740 0.220 19340 133 1 . 1 1 30 30 SER N N 30 112.859 112.859 112.339 0.520 19340 134 1 . 1 1 30 30 SER HA H 30 4.076 4.076 4.097 -0.021 19340 135 1 . 1 1 30 30 SER CA C 30 61.998 61.998 60.872 1.126 19340 136 1 . 1 1 30 30 SER CB C 30 63.012 63.012 62.938 0.074 19340 137 1 . 1 1 30 30 SER H H 30 7.951 7.951 7.943 0.008 19340 138 1 . 1 1 31 31 THR N N 31 109.820 109.820 115.682 -5.862 19340 139 1 . 1 1 31 31 THR HA H 31 4.472 4.472 4.255 0.217 19340 140 1 . 1 1 31 31 THR CA C 31 62.731 62.731 64.383 -1.652 19340 141 1 . 1 1 31 31 THR CB C 31 69.362 69.362 69.180 0.182 19340 142 1 . 1 1 31 31 THR H H 31 7.164 7.164 7.509 -0.345 19340 143 1 . 1 1 32 32 ALA N N 32 122.926 122.926 122.971 -0.045 19340 144 1 . 1 1 32 32 ALA HA H 32 4.427 4.427 4.325 0.101 19340 145 1 . 1 1 32 32 ALA CA C 32 53.085 53.085 53.552 -0.467 19340 146 1 . 1 1 32 32 ALA CB C 32 20.626 20.626 19.709 0.917 19340 147 1 . 1 1 32 32 ALA H H 32 7.997 7.997 7.712 0.285 19340 148 1 . 1 1 33 33 VAL N N 33 116.339 116.339 117.419 -1.080 19340 149 1 . 1 1 33 33 VAL HA H 33 4.461 4.461 4.143 0.318 19340 150 1 . 1 1 33 33 VAL CA C 33 61.601 61.601 62.805 -1.204 19340 151 1 . 1 1 33 33 VAL CB C 33 32.629 32.629 31.980 0.649 19340 152 1 . 1 1 33 33 VAL H H 33 7.550 7.550 8.038 -0.488 19340 153 1 . 1 1 34 34 GLY N N 34 113.114 113.114 113.540 -0.426 19340 154 1 . 1 1 34 34 GLY CA C 34 45.269 45.269 45.810 -0.541 19340 155 1 . 1 1 34 34 GLY H H 34 7.886 7.886 8.487 -0.601 19340 156 1 . 1 1 35 35 ARG N N 35 120.709 120.709 120.506 0.203 19340 157 1 . 1 1 35 35 ARG HA H 35 4.383 4.383 4.318 0.065 19340 158 1 . 1 1 35 35 ARG CA C 35 57.900 57.900 57.014 0.886 19340 159 1 . 1 1 35 35 ARG CB C 35 29.872 29.872 29.784 0.088 19340 160 1 . 1 1 35 35 ARG H H 35 8.773 8.773 8.524 0.249 19340 161 1 . 1 1 36 36 ASN N N 36 114.578 114.578 116.744 -2.166 19340 162 1 . 1 1 36 36 ASN HA H 36 4.824 4.824 4.734 0.090 19340 163 1 . 1 1 36 36 ASN CA C 36 53.094 53.094 52.329 0.765 19340 164 1 . 1 1 36 36 ASN CB C 36 38.617 38.617 38.327 0.290 19340 165 1 . 1 1 36 36 ASN H H 36 8.628 8.628 8.010 0.618 19340 166 1 . 1 1 37 37 GLY N N 37 108.462 108.462 109.811 -1.349 19340 167 1 . 1 1 37 37 GLY CA C 37 44.717 44.717 45.809 -1.092 19340 168 1 . 1 1 37 37 GLY H H 37 7.880 7.880 8.005 -0.124 19340 169 1 . 1 1 38 38 VAL N N 38 121.761 121.761 120.428 1.333 19340 170 1 . 1 1 38 38 VAL HA H 38 4.377 4.377 4.261 0.116 19340 171 1 . 1 1 38 38 VAL CA C 38 61.066 61.066 61.516 -0.450 19340 172 1 . 1 1 38 38 VAL CB C 38 33.771 33.771 34.055 -0.284 19340 173 1 . 1 1 38 38 VAL H H 38 8.565 8.565 7.730 0.834 19340 174 1 . 1 1 39 39 ASP N N 39 127.585 127.585 128.119 -0.534 19340 175 1 . 1 1 39 39 ASP HA H 39 4.651 4.651 4.873 -0.222 19340 176 1 . 1 1 39 39 ASP CA C 39 53.845 53.845 53.002 0.842 19340 177 1 . 1 1 39 39 ASP CB C 39 41.429 41.429 40.798 0.631 19340 178 1 . 1 1 39 39 ASP H H 39 9.007 9.007 8.501 0.506 19340 179 1 . 1 1 40 40 VAL N N 40 129.021 129.021 126.147 2.874 19340 180 1 . 1 1 40 40 VAL HA H 40 3.495 3.495 3.775 -0.280 19340 181 1 . 1 1 40 40 VAL CA C 40 67.399 67.399 65.483 1.916 19340 182 1 . 1 1 40 40 VAL CB C 40 32.351 32.351 31.601 0.750 19340 183 1 . 1 1 40 40 VAL H H 40 8.632 8.632 8.490 0.142 19340 184 1 . 1 1 41 41 ASN N N 41 122.301 122.301 118.242 4.059 19340 185 1 . 1 1 41 41 ASN HA H 41 4.450 4.450 4.379 0.071 19340 186 1 . 1 1 41 41 ASN CA C 41 57.011 57.011 56.689 0.322 19340 187 1 . 1 1 41 41 ASN CB C 41 37.837 37.837 38.274 -0.437 19340 188 1 . 1 1 41 41 ASN H H 41 8.673 8.673 8.319 0.354 19340 189 1 . 1 1 42 42 ALA N N 42 124.313 124.313 122.367 1.946 19340 190 1 . 1 1 42 42 ALA HA H 42 4.198 4.198 4.246 -0.048 19340 191 1 . 1 1 42 42 ALA CA C 42 54.871 54.871 54.534 0.337 19340 192 1 . 1 1 42 42 ALA CB C 42 18.677 18.677 18.540 0.137 19340 193 1 . 1 1 42 42 ALA H H 42 8.420 8.420 7.594 0.826 19340 194 1 . 1 1 43 43 PHE N N 43 119.198 119.198 119.578 -0.380 19340 195 1 . 1 1 43 43 PHE HA H 43 4.483 4.483 4.190 0.293 19340 196 1 . 1 1 43 43 PHE CA C 43 58.167 58.167 60.080 -1.913 19340 197 1 . 1 1 43 43 PHE CB C 43 39.174 39.174 38.814 0.360 19340 198 1 . 1 1 43 43 PHE H H 43 8.611 8.611 8.762 -0.151 19340 199 1 . 1 1 44 44 THR N N 44 116.700 116.700 114.288 2.412 19340 200 1 . 1 1 44 44 THR HA H 44 4.349 4.349 3.889 0.460 19340 201 1 . 1 1 44 44 THR CA C 44 68.443 68.443 65.825 2.618 19340 202 1 . 1 1 44 44 THR CB C 44 68.248 68.248 68.438 -0.190 19340 203 1 . 1 1 44 44 THR H H 44 8.881 8.881 8.796 0.085 19340 204 1 . 1 1 45 45 SER N N 45 116.018 116.018 116.610 -0.592 19340 205 1 . 1 1 45 45 SER HA H 45 4.117 4.117 4.196 -0.079 19340 206 1 . 1 1 45 45 SER CA C 45 62.507 62.507 62.173 0.334 19340 207 1 . 1 1 45 45 SER CB C 45 62.706 62.706 62.903 -0.197 19340 208 1 . 1 1 45 45 SER H H 45 8.020 8.020 7.767 0.253 19340 209 1 . 1 1 46 46 GLY N N 46 108.460 108.460 109.083 -0.623 19340 210 1 . 1 1 46 46 GLY CA C 46 47.106 47.106 46.672 0.434 19340 211 1 . 1 1 46 46 GLY H H 46 7.871 7.871 7.597 0.274 19340 212 1 . 1 1 47 47 LEU N N 47 123.148 123.148 122.539 0.609 19340 213 1 . 1 1 47 47 LEU HA H 47 3.830 3.830 3.954 -0.124 19340 214 1 . 1 1 47 47 LEU CA C 47 58.340 58.340 57.373 0.966 19340 215 1 . 1 1 47 47 LEU CB C 47 42.432 42.432 41.432 1.000 19340 216 1 . 1 1 47 47 LEU H H 47 8.221 8.221 7.392 0.829 19340 217 1 . 1 1 48 48 ARG N N 48 118.694 118.694 119.075 -0.381 19340 218 1 . 1 1 48 48 ARG HA H 48 3.847 3.847 3.967 -0.120 19340 219 1 . 1 1 48 48 ARG CA C 48 60.238 60.238 59.848 0.390 19340 220 1 . 1 1 48 48 ARG CB C 48 30.345 30.345 29.788 0.556 19340 221 1 . 1 1 48 48 ARG H H 48 8.646 8.646 8.278 0.368 19340 222 1 . 1 1 49 49 ALA N N 49 122.114 122.114 120.503 1.611 19340 223 1 . 1 1 49 49 ALA HA H 49 4.159 4.159 4.261 -0.102 19340 224 1 . 1 1 49 49 ALA CA C 49 55.208 55.208 54.939 0.269 19340 225 1 . 1 1 49 49 ALA CB C 49 18.092 18.092 18.163 -0.071 19340 226 1 . 1 1 49 49 ALA H H 49 8.078 8.078 7.565 0.513 19340 227 1 . 1 1 50 50 THR N N 50 115.708 115.708 116.675 -0.967 19340 228 1 . 1 1 50 50 THR HA H 50 3.696 3.696 4.043 -0.347 19340 229 1 . 1 1 50 50 THR CA C 50 67.692 67.692 66.734 0.958 19340 230 1 . 1 1 50 50 THR CB C 50 68.599 68.599 68.731 -0.132 19340 231 1 . 1 1 50 50 THR H H 50 7.577 7.577 7.733 -0.156 19340 232 1 . 1 1 51 51 LEU N N 51 121.108 121.108 122.942 -1.834 19340 233 1 . 1 1 51 51 LEU HA H 51 3.791 3.791 4.123 -0.333 19340 234 1 . 1 1 51 51 LEU CA C 51 58.253 58.253 57.702 0.551 19340 235 1 . 1 1 51 51 LEU CB C 51 41.986 41.986 40.827 1.159 19340 236 1 . 1 1 51 51 LEU H H 51 8.014 8.014 8.751 -0.737 19340 237 1 . 1 1 52 52 SER N N 52 115.122 115.122 114.166 0.956 19340 238 1 . 1 1 52 52 SER HA H 52 4.154 4.154 4.103 0.051 19340 239 1 . 1 1 52 52 SER CA C 52 61.765 61.765 61.420 0.345 19340 240 1 . 1 1 52 52 SER CB C 52 62.901 62.901 62.842 0.059 19340 241 1 . 1 1 52 52 SER H H 52 8.442 8.442 7.931 0.511 19340 242 1 . 1 1 53 53 ASN N N 53 119.438 119.438 119.690 -0.252 19340 243 1 . 1 1 53 53 ASN HA H 53 4.640 4.640 4.518 0.122 19340 244 1 . 1 1 53 53 ASN CA C 53 55.993 55.993 56.059 -0.066 19340 245 1 . 1 1 53 53 ASN CB C 53 39.508 39.508 38.783 0.725 19340 246 1 . 1 1 53 53 ASN H H 53 7.705 7.705 7.814 -0.109 19340 247 1 . 1 1 54 54 LEU N N 54 120.042 120.042 120.565 -0.523 19340 248 1 . 1 1 54 54 LEU HA H 54 4.193 4.193 4.228 -0.035 19340 249 1 . 1 1 54 54 LEU CA C 54 57.115 57.115 57.306 -0.191 19340 250 1 . 1 1 54 54 LEU CB C 54 42.989 42.989 42.000 0.989 19340 251 1 . 1 1 54 54 LEU H H 54 7.811 7.811 8.575 -0.764 19340 252 1 . 1 1 55 55 GLY N N 55 109.450 109.450 105.717 3.733 19340 253 1 . 1 1 55 55 GLY CA C 55 47.676 47.676 46.378 1.298 19340 254 1 . 1 1 55 55 GLY H H 55 8.074 8.074 8.137 -0.063 19340 255 1 . 1 1 56 56 ASP N N 56 121.016 121.016 118.161 2.855 19340 256 1 . 1 1 56 56 ASP HA H 56 4.757 4.757 4.821 -0.064 19340 257 1 . 1 1 56 56 ASP CA C 56 54.811 54.811 53.387 1.424 19340 258 1 . 1 1 56 56 ASP CB C 56 40.538 40.538 41.333 -0.794 19340 259 1 . 1 1 56 56 ASP H H 56 8.144 8.144 7.450 0.694 19340 260 1 . 1 1 57 57 SER N N 57 113.978 113.978 114.862 -0.884 19340 261 1 . 1 1 57 57 SER HA H 57 4.305 4.305 4.450 -0.145 19340 262 1 . 1 1 57 57 SER CA C 57 60.031 60.031 59.806 0.225 19340 263 1 . 1 1 57 57 SER CB C 57 65.212 65.212 64.415 0.797 19340 264 1 . 1 1 57 57 SER H H 57 7.742 7.742 7.840 -0.098 19340 265 1 . 1 1 58 58 GLY N N 58 110.315 110.315 107.898 2.417 19340 266 1 . 1 1 58 58 GLY CA C 58 45.690 45.690 44.931 0.759 19340 267 1 . 1 1 58 58 GLY H H 58 8.306 8.306 7.881 0.425 19340 268 1 . 1 1 59 59 MET N N 59 120.024 120.024 116.888 3.136 19340 269 1 . 1 1 59 59 MET HA H 59 4.416 4.416 4.823 -0.407 19340 270 1 . 1 1 59 59 MET CA C 59 56.597 56.597 54.806 1.791 19340 271 1 . 1 1 59 59 MET CB C 59 34.328 34.328 34.207 0.121 19340 272 1 . 1 1 59 59 MET H H 59 7.686 7.686 7.332 0.354 19340 273 1 . 1 1 60 60 SER N N 60 122.795 122.795 114.200 8.595 19340 274 1 . 1 1 60 60 SER HA H 60 4.601 4.601 4.794 -0.193 19340 275 1 . 1 1 60 60 SER CA C 60 57.598 57.598 54.942 2.656 19340 276 1 . 1 1 60 60 SER CB C 60 62.511 62.511 65.061 -2.550 19340 277 1 . 1 1 60 60 SER H H 60 9.088 9.088 8.308 0.780 19340 278 1 . 1 1 61 61 PRO HA H 61 4.215 4.215 4.512 -0.297 19340 279 1 . 1 1 61 61 PRO CA C 61 66.622 66.622 64.279 2.343 19340 280 1 . 1 1 61 61 PRO CB C 61 31.961 31.961 31.925 0.036 19340 281 1 . 1 1 62 62 ASN N N 62 113.170 113.170 116.626 -3.456 19340 282 1 . 1 1 62 62 ASN HA H 62 4.377 4.377 4.719 -0.342 19340 283 1 . 1 1 62 62 ASN CA C 62 56.416 56.416 55.027 1.389 19340 284 1 . 1 1 62 62 ASN CB C 62 38.004 38.004 39.915 -1.911 19340 285 1 . 1 1 62 62 ASN H H 62 8.389 8.389 8.420 -0.030 19340 286 1 . 1 1 63 63 GLU N N 63 120.222 120.222 120.621 -0.399 19340 287 1 . 1 1 63 63 GLU HA H 63 3.752 3.752 4.126 -0.374 19340 288 1 . 1 1 63 63 GLU CA C 63 59.668 59.668 58.620 1.048 19340 289 1 . 1 1 63 63 GLU CB C 63 37.837 37.837 29.196 8.641 19340 290 1 . 1 1 63 63 GLU H H 63 7.428 7.428 7.637 -0.209 19340 291 1 . 1 1 64 64 ALA N N 64 120.568 120.568 122.088 -1.520 19340 292 1 . 1 1 64 64 ALA HA H 64 4.076 4.076 4.061 0.015 19340 293 1 . 1 1 64 64 ALA CA C 64 54.820 54.820 55.430 -0.611 19340 294 1 . 1 1 64 64 ALA CB C 64 18.342 18.342 18.538 -0.196 19340 295 1 . 1 1 64 64 ALA H H 64 8.640 8.640 7.818 0.822 19340 296 1 . 1 1 65 65 LYS N N 65 115.104 115.104 116.703 -1.599 19340 297 1 . 1 1 65 65 LYS HA H 65 3.623 3.623 4.015 -0.392 19340 298 1 . 1 1 65 65 LYS CA C 65 60.876 60.876 59.106 1.770 19340 299 1 . 1 1 65 65 LYS CB C 65 32.852 32.852 32.139 0.713 19340 300 1 . 1 1 65 65 LYS H H 65 7.472 7.472 8.245 -0.773 19340 301 1 . 1 1 66 66 VAL N N 66 116.911 116.911 119.307 -2.396 19340 302 1 . 1 1 66 66 VAL HA H 66 3.551 3.551 3.995 -0.444 19340 303 1 . 1 1 66 66 VAL CA C 66 67.304 67.304 64.458 2.846 19340 304 1 . 1 1 66 66 VAL CB C 66 31.543 31.543 32.042 -0.499 19340 305 1 . 1 1 66 66 VAL H H 66 7.045 7.045 7.278 -0.233 19340 306 1 . 1 1 67 67 GLU N N 67 120.755 120.755 119.947 0.808 19340 307 1 . 1 1 67 67 GLU HA H 67 4.042 4.042 4.121 -0.080 19340 308 1 . 1 1 67 67 GLU CA C 67 58.409 58.409 59.809 -1.400 19340 309 1 . 1 1 67 67 GLU CB C 67 32.935 32.935 29.713 3.222 19340 310 1 . 1 1 67 67 GLU H H 67 8.439 8.439 8.586 -0.147 19340 311 1 . 1 1 68 68 VAL N N 68 119.280 119.280 116.253 3.027 19340 312 1 . 1 1 68 68 VAL HA H 68 3.355 3.355 3.741 -0.386 19340 313 1 . 1 1 68 68 VAL CA C 68 67.433 67.433 66.071 1.362 19340 314 1 . 1 1 68 68 VAL CB C 68 30.652 30.652 31.032 -0.380 19340 315 1 . 1 1 68 68 VAL H H 68 8.473 8.473 8.046 0.427 19340 316 1 . 1 1 69 69 LEU N N 69 117.578 117.578 119.471 -1.893 19340 317 1 . 1 1 69 69 LEU HA H 69 3.958 3.958 4.005 -0.047 19340 318 1 . 1 1 69 69 LEU CA C 69 58.357 58.357 57.478 0.879 19340 319 1 . 1 1 69 69 LEU CB C 69 42.098 42.098 41.327 0.771 19340 320 1 . 1 1 69 69 LEU H H 69 7.292 7.292 7.611 -0.319 19340 321 1 . 1 1 70 70 LEU N N 70 118.482 118.482 118.829 -0.347 19340 322 1 . 1 1 70 70 LEU HA H 70 3.981 3.981 3.956 0.025 19340 323 1 . 1 1 70 70 LEU CA C 70 58.374 58.374 58.054 0.320 19340 324 1 . 1 1 70 70 LEU CB C 70 42.181 42.181 41.850 0.331 19340 325 1 . 1 1 70 70 LEU H H 70 8.237 8.237 7.543 0.694 19340 326 1 . 1 1 71 71 GLU N N 71 123.582 123.582 120.031 3.551 19340 327 1 . 1 1 71 71 GLU HA H 71 3.724 3.724 3.962 -0.238 19340 328 1 . 1 1 71 71 GLU CA C 71 61.083 61.083 59.499 1.584 19340 329 1 . 1 1 71 71 GLU CB C 71 37.308 37.308 29.571 7.737 19340 330 1 . 1 1 71 71 GLU H H 71 8.915 8.915 7.829 1.086 19340 331 1 . 1 1 72 72 ALA N N 72 123.321 123.321 122.034 1.287 19340 332 1 . 1 1 72 72 ALA HA H 72 4.064 4.064 4.091 -0.027 19340 333 1 . 1 1 72 72 ALA CA C 72 55.700 55.700 55.183 0.517 19340 334 1 . 1 1 72 72 ALA CB C 72 17.841 17.841 18.490 -0.649 19340 335 1 . 1 1 72 72 ALA H H 72 8.994 8.994 8.181 0.813 19340 336 1 . 1 1 73 73 LEU N N 73 118.574 118.574 118.927 -0.353 19340 337 1 . 1 1 73 73 LEU HA H 73 3.958 3.958 4.041 -0.083 19340 338 1 . 1 1 73 73 LEU CA C 73 58.236 58.236 57.520 0.716 19340 339 1 . 1 1 73 73 LEU CB C 73 42.348 42.348 41.998 0.350 19340 340 1 . 1 1 73 73 LEU H H 73 8.544 8.544 7.499 1.045 19340 341 1 . 1 1 74 74 THR N N 74 115.785 115.785 115.908 -0.123 19340 342 1 . 1 1 74 74 THR HA H 74 3.578 3.578 3.862 -0.284 19340 343 1 . 1 1 74 74 THR CA C 74 68.727 68.727 67.282 1.445 19340 344 1 . 1 1 74 74 THR CB C 74 67.691 67.691 68.455 -0.764 19340 345 1 . 1 1 74 74 THR H H 74 8.137 8.137 8.073 0.064 19340 346 1 . 1 1 75 75 ALA N N 75 123.543 123.543 123.082 0.461 19340 347 1 . 1 1 75 75 ALA HA H 75 3.696 3.696 4.240 -0.544 19340 348 1 . 1 1 75 75 ALA CA C 75 55.562 55.562 54.966 0.596 19340 349 1 . 1 1 75 75 ALA CB C 75 19.373 19.373 18.378 0.995 19340 350 1 . 1 1 75 75 ALA H H 75 8.585 8.585 7.668 0.917 19340 351 1 . 1 1 76 76 ALA N N 76 118.729 118.729 120.887 -2.158 19340 352 1 . 1 1 76 76 ALA HA H 76 3.774 3.774 4.034 -0.260 19340 353 1 . 1 1 76 76 ALA CA C 76 55.441 55.441 54.395 1.046 19340 354 1 . 1 1 76 76 ALA CB C 76 18.148 18.148 18.613 -0.465 19340 355 1 . 1 1 76 76 ALA H H 76 8.199 8.199 7.232 0.967 19340 356 1 . 1 1 77 77 LEU N N 77 117.321 117.321 119.367 -2.046 19340 357 1 . 1 1 77 77 LEU HA H 77 3.875 3.875 3.823 0.052 19340 358 1 . 1 1 77 77 LEU CA C 77 58.202 58.202 57.857 0.345 19340 359 1 . 1 1 77 77 LEU CB C 77 40.622 40.622 41.727 -1.105 19340 360 1 . 1 1 77 77 LEU H H 77 8.265 8.265 8.774 -0.509 19340 361 1 . 1 1 78 78 GLN N N 78 121.687 121.687 117.875 3.812 19340 362 1 . 1 1 78 78 GLN HA H 78 3.813 3.813 4.025 -0.212 19340 363 1 . 1 1 78 78 GLN CA C 78 58.633 58.633 58.342 0.291 19340 364 1 . 1 1 78 78 GLN CB C 78 32.439 32.439 28.223 4.216 19340 365 1 . 1 1 78 78 GLN H H 78 8.776 8.776 8.016 0.760 19340 366 1 . 1 1 79 79 LEU N N 79 120.042 120.042 120.536 -0.494 19340 367 1 . 1 1 79 79 LEU HA H 79 4.008 4.008 4.157 -0.149 19340 368 1 . 1 1 79 79 LEU CA C 79 57.736 57.736 57.439 0.297 19340 369 1 . 1 1 79 79 LEU CB C 79 42.543 42.543 42.188 0.355 19340 370 1 . 1 1 79 79 LEU H H 79 7.990 7.990 7.327 0.663 19340 371 1 . 1 1 80 80 LEU N N 80 122.157 122.157 120.300 1.857 19340 372 1 . 1 1 80 80 LEU HA H 80 3.824 3.824 4.015 -0.191 19340 373 1 . 1 1 80 80 LEU CA C 80 58.089 58.089 57.099 0.990 19340 374 1 . 1 1 80 80 LEU CB C 80 42.404 42.404 39.998 2.406 19340 375 1 . 1 1 80 80 LEU H H 80 8.454 8.454 8.555 -0.101 19340 376 1 . 1 1 81 81 SER N N 81 114.179 114.179 114.336 -0.157 19340 377 1 . 1 1 81 81 SER HA H 81 3.897 3.897 4.241 -0.344 19340 378 1 . 1 1 81 81 SER CA C 81 61.756 61.756 60.670 1.086 19340 379 1 . 1 1 81 81 SER CB C 81 63.486 63.486 62.970 0.516 19340 380 1 . 1 1 81 81 SER H H 81 8.006 8.006 7.941 0.065 19340 381 1 . 1 1 82 82 SER N N 82 113.392 113.392 114.593 -1.201 19340 382 1 . 1 1 82 82 SER HA H 82 4.718 4.718 4.677 0.041 19340 383 1 . 1 1 82 82 SER CA C 82 57.718 57.718 57.821 -0.103 19340 384 1 . 1 1 82 82 SER CB C 82 64.377 64.377 64.166 0.211 19340 385 1 . 1 1 82 82 SER H H 82 7.160 7.160 8.006 -0.846 19340 386 1 . 1 1 83 83 SER N N 83 117.607 117.607 118.306 -0.699 19340 387 1 . 1 1 83 83 SER HA H 83 4.885 4.885 4.657 0.228 19340 388 1 . 1 1 83 83 SER CA C 83 59.263 59.263 58.170 1.093 19340 389 1 . 1 1 83 83 SER CB C 83 65.352 65.352 64.835 0.517 19340 390 1 . 1 1 83 83 SER H H 83 7.369 7.369 7.798 -0.429 19340 391 1 . 1 1 84 84 THR N N 84 117.656 117.656 115.026 2.630 19340 392 1 . 1 1 84 84 THR HA H 84 4.545 4.545 4.458 0.087 19340 393 1 . 1 1 84 84 THR CA C 84 62.006 62.006 62.390 -0.384 19340 394 1 . 1 1 84 84 THR CB C 84 69.724 69.724 69.294 0.430 19340 395 1 . 1 1 84 84 THR H H 84 8.488 8.488 8.191 0.297 19340 396 1 . 1 1 85 85 LEU N N 85 130.429 130.429 119.557 10.872 19340 397 1 . 1 1 85 85 LEU HA H 85 4.288 4.288 4.101 0.187 19340 398 1 . 1 1 85 85 LEU CA C 85 56.295 56.295 55.258 1.037 19340 399 1 . 1 1 85 85 LEU CB C 85 42.390 42.390 40.411 1.979 19340 400 1 . 1 1 85 85 LEU H H 85 8.878 8.878 7.701 1.177 19340 401 1 . 1 1 86 86 GLY N N 86 112.150 112.150 107.199 4.951 19340 402 1 . 1 1 86 86 GLY CA C 86 43.802 43.802 45.589 -1.787 19340 403 1 . 1 1 86 86 GLY H H 86 7.901 7.901 8.886 -0.985 19340 404 1 . 1 1 87 87 ALA N N 87 122.559 122.559 122.555 0.004 19340 405 1 . 1 1 87 87 ALA HA H 87 4.284 4.284 4.471 -0.187 19340 406 1 . 1 1 87 87 ALA CA C 87 51.955 51.955 52.108 -0.153 19340 407 1 . 1 1 87 87 ALA CB C 87 19.345 19.345 19.885 -0.540 19340 408 1 . 1 1 87 87 ALA H H 87 8.113 8.113 7.613 0.500 19340 409 1 . 1 1 88 88 VAL N N 88 122.375 122.375 118.930 3.445 19340 410 1 . 1 1 88 88 VAL HA H 88 3.807 3.807 4.297 -0.490 19340 411 1 . 1 1 88 88 VAL CA C 88 62.964 62.964 62.473 0.491 19340 412 1 . 1 1 88 88 VAL CB C 88 32.629 32.629 32.826 -0.197 19340 413 1 . 1 1 88 88 VAL H H 88 8.447 8.447 8.335 0.112 19340 414 1 . 1 1 89 89 ASP N N 89 127.408 127.408 121.725 5.683 19340 415 1 . 1 1 89 89 ASP HA H 89 4.858 4.858 4.517 0.341 19340 416 1 . 1 1 89 89 ASP CA C 89 52.602 52.602 54.639 -2.037 19340 417 1 . 1 1 89 89 ASP CB C 89 40.817 40.817 39.912 0.905 19340 418 1 . 1 1 89 89 ASP H H 89 8.570 8.570 8.552 0.018 19340 419 1 . 1 1 90 90 THR N N 90 116.481 116.481 110.556 5.925 19340 420 1 . 1 1 90 90 THR HA H 90 3.953 3.953 4.111 -0.158 19340 421 1 . 1 1 90 90 THR CA C 90 63.879 63.879 64.241 -0.362 19340 422 1 . 1 1 90 90 THR CB C 90 68.833 68.833 69.061 -0.228 19340 423 1 . 1 1 90 90 THR H H 90 8.539 8.539 8.321 0.218 19340 424 1 . 1 1 91 91 THR N N 91 114.681 114.681 115.772 -1.091 19340 425 1 . 1 1 91 91 THR HA H 91 4.182 4.182 4.293 -0.111 19340 426 1 . 1 1 91 91 THR CA C 91 64.750 64.750 64.188 0.562 19340 427 1 . 1 1 91 91 THR CB C 91 69.055 69.055 68.699 0.356 19340 428 1 . 1 1 91 91 THR H H 91 8.335 8.335 8.004 0.331 19340 429 1 . 1 1 92 92 SER N N 92 114.236 114.236 116.775 -2.539 19340 430 1 . 1 1 92 92 SER HA H 92 4.668 4.668 4.638 0.030 19340 431 1 . 1 1 92 92 SER CA C 92 58.460 58.460 58.531 -0.071 19340 432 1 . 1 1 92 92 SER CB C 92 64.433 64.433 63.605 0.828 19340 433 1 . 1 1 92 92 SER H H 92 7.642 7.642 7.648 -0.006 19340 434 1 . 1 1 93 93 ILE N N 93 122.128 122.128 123.128 -1.000 19340 435 1 . 1 1 93 93 ILE HA H 93 3.813 3.813 3.754 0.059 19340 436 1 . 1 1 93 93 ILE CA C 93 65.130 65.130 65.219 -0.089 19340 437 1 . 1 1 93 93 ILE CB C 93 38.199 38.199 37.233 0.966 19340 438 1 . 1 1 93 93 ILE H H 93 7.276 7.276 7.171 0.105 19340 439 1 . 1 1 94 94 GLY N N 94 108.426 108.426 107.168 1.258 19340 440 1 . 1 1 94 94 GLY CA C 94 46.999 46.999 47.173 -0.174 19340 441 1 . 1 1 94 94 GLY H H 94 8.756 8.756 8.651 0.105 19340 442 1 . 1 1 95 95 LEU N N 95 123.674 123.674 122.502 1.172 19340 443 1 . 1 1 95 95 LEU HA H 95 4.282 4.282 4.145 0.137 19340 444 1 . 1 1 95 95 LEU CA C 95 58.029 58.029 57.646 0.383 19340 445 1 . 1 1 95 95 LEU CB C 95 41.262 41.262 41.726 -0.464 19340 446 1 . 1 1 95 95 LEU H H 95 7.568 7.568 7.524 0.044 19340 447 1 . 1 1 96 96 THR N N 96 119.717 119.717 116.723 2.994 19340 448 1 . 1 1 96 96 THR HA H 96 3.837 3.837 3.889 -0.052 19340 449 1 . 1 1 96 96 THR CA C 96 66.683 66.683 67.423 -0.740 19340 450 1 . 1 1 96 96 THR CB C 96 67.969 67.969 68.508 -0.539 19340 451 1 . 1 1 96 96 THR H H 96 8.430 8.430 8.513 -0.083 19340 452 1 . 1 1 97 97 SER N N 97 117.285 117.285 116.530 0.755 19340 453 1 . 1 1 97 97 SER HA H 97 4.094 4.094 4.108 -0.014 19340 454 1 . 1 1 97 97 SER CA C 97 62.507 62.507 61.880 0.627 19340 455 1 . 1 1 97 97 SER CB C 97 62.845 62.845 63.015 -0.170 19340 456 1 . 1 1 97 97 SER H H 97 9.000 9.000 8.714 0.286 19340 457 1 . 1 1 98 98 ASN N N 98 121.846 121.846 119.456 2.390 19340 458 1 . 1 1 98 98 ASN HA H 98 4.388 4.388 4.594 -0.206 19340 459 1 . 1 1 98 98 ASN CA C 98 56.882 56.882 55.472 1.410 19340 460 1 . 1 1 98 98 ASN CB C 98 38.834 38.834 38.629 0.205 19340 461 1 . 1 1 98 98 ASN H H 98 7.939 7.939 7.693 0.246 19340 462 1 . 1 1 99 99 SER N N 99 117.585 117.585 117.089 0.496 19340 463 1 . 1 1 99 99 SER HA H 99 4.204 4.204 4.254 -0.050 19340 464 1 . 1 1 99 99 SER CA C 99 62.886 62.886 62.156 0.730 19340 465 1 . 1 1 99 99 SER CB C 99 62.984 62.984 63.222 -0.238 19340 466 1 . 1 1 99 99 SER H H 99 8.370 8.370 8.116 0.254 19340 467 1 . 1 1 100 100 VAL N N 100 121.524 121.524 119.297 2.227 19340 468 1 . 1 1 100 100 VAL HA H 100 3.551 3.551 3.630 -0.079 19340 469 1 . 1 1 100 100 VAL CA C 100 67.951 67.951 66.379 1.573 19340 470 1 . 1 1 100 100 VAL CB C 100 31.654 31.654 30.883 0.771 19340 471 1 . 1 1 100 100 VAL H H 100 8.565 8.565 8.265 0.300 19340 472 1 . 1 1 101 101 SER N N 101 113.005 113.005 116.226 -3.221 19340 473 1 . 1 1 101 101 SER HA H 101 3.875 3.875 4.121 -0.246 19340 474 1 . 1 1 101 101 SER CA C 101 62.326 62.326 61.836 0.490 19340 475 1 . 1 1 101 101 SER CB C 101 63.263 63.263 62.812 0.451 19340 476 1 . 1 1 101 101 SER H H 101 8.272 8.272 7.790 0.482 19340 477 1 . 1 1 102 102 LYS N N 102 119.357 119.357 121.407 -2.050 19340 478 1 . 1 1 102 102 LYS HA H 102 4.020 4.020 4.115 -0.095 19340 479 1 . 1 1 102 102 LYS CA C 102 59.599 59.599 59.006 0.594 19340 480 1 . 1 1 102 102 LYS CB C 102 33.143 33.143 32.453 0.691 19340 481 1 . 1 1 102 102 LYS H H 102 7.953 7.953 7.738 0.215 19340 482 1 . 1 1 103 103 ALA N N 103 120.882 120.882 122.856 -1.974 19340 483 1 . 1 1 103 103 ALA HA H 103 4.243 4.243 4.052 0.191 19340 484 1 . 1 1 103 103 ALA CA C 103 54.587 54.587 54.963 -0.376 19340 485 1 . 1 1 103 103 ALA CB C 103 20.626 20.626 18.409 2.217 19340 486 1 . 1 1 103 103 ALA H H 103 8.049 8.049 8.284 -0.235 19340 487 1 . 1 1 104 104 VAL N N 104 116.191 116.191 118.777 -2.586 19340 488 1 . 1 1 104 104 VAL HA H 104 3.249 3.249 3.495 -0.246 19340 489 1 . 1 1 104 104 VAL CA C 104 67.114 67.114 66.790 0.324 19340 490 1 . 1 1 104 104 VAL CB C 104 31.014 31.014 31.804 -0.789 19340 491 1 . 1 1 104 104 VAL H H 104 8.572 8.572 8.309 0.263 19340 492 1 . 1 1 105 105 ALA N N 105 121.884 121.884 120.451 1.433 19340 493 1 . 1 1 105 105 ALA HA H 105 3.891 3.891 4.254 -0.363 19340 494 1 . 1 1 105 105 ALA CA C 105 55.303 55.303 54.346 0.957 19340 495 1 . 1 1 105 105 ALA CB C 105 18.482 18.482 18.385 0.097 19340 496 1 . 1 1 105 105 ALA H H 105 8.347 8.347 7.746 0.601 19340 497 1 . 1 1 106 106 GLN N N 106 113.657 113.657 118.574 -4.917 19340 498 1 . 1 1 106 106 GLN HA H 106 4.031 4.031 4.142 -0.111 19340 499 1 . 1 1 106 106 GLN CA C 106 58.348 58.348 58.182 0.166 19340 500 1 . 1 1 106 106 GLN CB C 106 35.247 35.247 29.038 6.209 19340 501 1 . 1 1 106 106 GLN H H 106 7.838 7.838 7.906 -0.068 19340 502 1 . 1 1 107 107 ALA N N 107 117.818 117.818 120.790 -2.972 19340 503 1 . 1 1 107 107 ALA HA H 107 4.254 4.254 4.350 -0.096 19340 504 1 . 1 1 107 107 ALA CA C 107 54.155 54.155 53.945 0.210 19340 505 1 . 1 1 107 107 ALA CB C 107 22.158 22.158 19.087 3.071 19340 506 1 . 1 1 107 107 ALA H H 107 8.145 8.145 7.859 0.286 19340 507 1 . 1 1 108 108 LEU N N 108 113.428 113.428 118.373 -4.945 19340 508 1 . 1 1 108 108 LEU HA H 108 4.422 4.422 4.246 0.176 19340 509 1 . 1 1 108 108 LEU CA C 108 54.405 54.405 55.805 -1.400 19340 510 1 . 1 1 108 108 LEU CB C 108 42.655 42.655 42.520 0.135 19340 511 1 . 1 1 108 108 LEU H H 108 8.341 8.341 7.973 0.368 19340 stop_ save_