data_25816 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25816 _Entry.PDB_ID 2N7P 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 25816 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 122.611 122.611 121.209 1.402 25816 2 1 1 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.630 -0.238 25816 3 1 1 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.679 -1.347 25816 4 1 1 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.071 -1.754 25816 5 1 1 . 1 1 2 2 LEU H H 2 8.535 8.535 8.399 0.136 25816 6 1 1 . 1 1 3 3 THR N N 3 112.475 112.475 117.620 -5.145 25816 7 1 1 . 1 1 3 3 THR HA H 3 4.777 4.777 4.602 0.175 25816 8 1 1 . 1 1 3 3 THR CA C 3 59.259 59.259 61.138 -1.879 25816 9 1 1 . 1 1 3 3 THR CB C 3 70.185 70.185 71.130 -0.945 25816 10 1 1 . 1 1 3 3 THR H H 3 7.903 7.903 8.060 -0.157 25816 11 1 1 . 1 1 4 4 ARG N N 4 120.183 120.183 121.566 -1.383 25816 12 1 1 . 1 1 4 4 ARG H H 4 8.809 8.809 8.564 0.245 25816 13 1 1 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.664 -0.292 25816 14 1 1 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.465 2.552 25816 15 1 1 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.739 -1.151 25816 16 1 1 . 1 1 6 6 TYR N N 6 120.727 120.727 117.925 2.802 25816 17 1 1 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.704 -0.070 25816 18 1 1 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.909 -1.833 25816 19 1 1 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.059 -0.004 25816 20 1 1 . 1 1 6 6 TYR H H 6 7.530 7.530 8.389 -0.859 25816 21 1 1 . 1 1 7 7 LEU N N 7 126.575 126.575 121.449 5.126 25816 22 1 1 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.459 0.948 25816 23 1 1 . 1 1 7 7 LEU H H 7 8.500 8.500 8.217 0.283 25816 24 1 1 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.052 0.655 25816 25 1 1 . 1 1 9 9 PHE N N 9 114.612 114.612 117.424 -2.812 25816 26 1 1 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.268 0.090 25816 27 1 1 . 1 1 9 9 PHE CA C 9 55.262 55.262 54.449 0.813 25816 28 1 1 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.306 -0.852 25816 29 1 1 . 1 1 9 9 PHE H H 9 7.102 7.102 7.222 -0.120 25816 30 1 1 . 1 1 10 10 ARG N N 10 117.800 117.800 119.734 -1.934 25816 31 1 1 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.630 0.041 25816 32 1 1 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.108 -1.708 25816 33 1 1 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.500 1.315 25816 34 1 1 . 1 1 10 10 ARG H H 10 8.206 8.206 8.562 -0.356 25816 35 1 1 . 1 1 11 11 VAL N N 11 117.216 117.216 122.892 -5.676 25816 36 1 1 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.753 0.414 25816 37 1 1 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.891 -2.700 25816 38 1 1 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.661 -0.786 25816 39 1 1 . 1 1 11 11 VAL H H 11 8.601 8.601 8.510 0.091 25816 40 1 1 . 1 1 12 12 ALA N N 12 123.025 123.025 132.633 -9.608 25816 41 1 1 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.860 -0.280 25816 42 1 1 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.832 -1.289 25816 43 1 1 . 1 1 12 12 ALA CB C 12 21.782 21.782 21.122 0.660 25816 44 1 1 . 1 1 12 12 ALA H H 12 8.861 8.861 8.174 0.687 25816 45 1 1 . 1 1 13 13 VAL N N 13 121.395 121.395 123.413 -2.018 25816 46 1 1 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.136 0.415 25816 47 1 1 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.886 -0.603 25816 48 1 1 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.357 -0.663 25816 49 1 1 . 1 1 13 13 VAL H H 13 8.585 8.585 8.739 -0.154 25816 50 1 1 . 1 1 14 14 GLY N N 14 117.546 117.546 116.388 1.158 25816 51 1 1 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.429 -2.045 25816 52 1 1 . 1 1 14 14 GLY H H 14 8.789 8.789 8.329 0.460 25816 53 1 1 . 1 1 15 15 ARG N N 15 120.075 120.075 121.053 -0.978 25816 54 1 1 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.730 0.380 25816 55 1 1 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.880 -0.987 25816 56 1 1 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.639 0.117 25816 57 1 1 . 1 1 15 15 ARG H H 15 8.299 8.299 8.369 -0.070 25816 58 1 1 . 1 1 16 16 ASP N N 16 123.872 123.872 121.043 2.829 25816 59 1 1 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.738 0.007 25816 60 1 1 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.055 -1.684 25816 61 1 1 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.565 -0.813 25816 62 1 1 . 1 1 16 16 ASP H H 16 8.619 8.619 8.361 0.258 25816 63 1 1 . 1 1 17 17 SER N N 17 114.309 114.309 114.157 0.152 25816 64 1 1 . 1 1 17 17 SER HA H 17 4.196 4.196 4.231 -0.035 25816 65 1 1 . 1 1 17 17 SER CA C 17 59.950 59.950 60.185 -0.235 25816 66 1 1 . 1 1 17 17 SER CB C 17 61.825 61.825 63.235 -1.410 25816 67 1 1 . 1 1 17 17 SER H H 17 8.624 8.624 8.391 0.233 25816 68 1 1 . 1 1 18 18 SER N N 18 117.903 117.903 115.302 2.601 25816 69 1 1 . 1 1 18 18 SER HA H 18 4.597 4.597 4.436 0.161 25816 70 1 1 . 1 1 18 18 SER CA C 18 57.732 57.732 58.693 -0.961 25816 71 1 1 . 1 1 18 18 SER CB C 18 63.470 63.470 64.091 -0.621 25816 72 1 1 . 1 1 18 18 SER H H 18 8.385 8.385 7.736 0.649 25816 73 1 1 . 1 1 19 19 GLY N N 19 109.883 109.883 109.964 -0.081 25816 74 1 1 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.928 -0.757 25816 75 1 1 . 1 1 19 19 GLY H H 19 8.214 8.214 8.038 0.176 25816 76 1 1 . 1 1 20 20 CYS N N 20 122.167 122.167 120.993 1.174 25816 77 1 1 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.608 -0.120 25816 78 1 1 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.879 0.158 25816 79 1 1 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.171 -2.486 25816 80 1 1 . 1 1 20 20 CYS H H 20 8.286 8.286 8.464 -0.178 25816 81 1 1 . 1 1 21 21 THR N N 21 119.387 119.387 113.883 5.504 25816 82 1 1 . 1 1 21 21 THR HA H 21 4.764 4.764 4.088 0.676 25816 83 1 1 . 1 1 21 21 THR CA C 21 61.953 61.953 62.957 -1.004 25816 84 1 1 . 1 1 21 21 THR CB C 21 68.795 68.795 67.594 1.201 25816 85 1 1 . 1 1 21 21 THR H H 21 8.626 8.626 7.869 0.757 25816 86 1 1 . 1 1 22 22 THR N N 22 116.611 116.611 117.114 -0.503 25816 87 1 1 . 1 1 22 22 THR HA H 22 4.513 4.513 4.710 -0.197 25816 88 1 1 . 1 1 22 22 THR CA C 22 58.918 58.918 60.335 -1.417 25816 89 1 1 . 1 1 22 22 THR CB C 22 71.128 71.128 71.152 -0.024 25816 90 1 1 . 1 1 22 22 THR H H 22 8.343 8.343 7.857 0.486 25816 91 1 1 . 1 1 23 23 LEU N N 23 122.893 122.893 127.224 -4.331 25816 92 1 1 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.925 0.007 25816 93 1 1 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.104 -1.617 25816 94 1 1 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.955 -1.690 25816 95 1 1 . 1 1 23 23 LEU H H 23 9.157 9.157 8.639 0.518 25816 96 1 1 . 1 1 24 24 SER N N 24 116.771 116.771 115.742 1.029 25816 97 1 1 . 1 1 24 24 SER HA H 24 5.173 5.173 5.004 0.169 25816 98 1 1 . 1 1 24 24 SER CA C 24 55.247 55.247 56.883 -1.636 25816 99 1 1 . 1 1 24 24 SER CB C 24 64.841 64.841 65.359 -0.517 25816 100 1 1 . 1 1 24 24 SER H H 24 8.656 8.656 8.010 0.646 25816 101 1 1 . 1 1 25 25 ILE N N 25 122.747 122.747 125.652 -2.905 25816 102 1 1 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.951 -0.920 25816 103 1 1 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.585 2.685 25816 104 1 1 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.153 -2.504 25816 105 1 1 . 1 1 25 25 ILE H H 25 9.023 9.023 8.886 0.137 25816 106 1 1 . 1 1 26 26 GLN N N 26 129.779 129.779 126.367 3.412 25816 107 1 1 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.530 -0.101 25816 108 1 1 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.572 -1.985 25816 109 1 1 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.351 0.925 25816 110 1 1 . 1 1 26 26 GLN H H 26 9.093 9.093 8.666 0.427 25816 111 1 1 . 1 1 27 27 GLU N N 27 118.722 118.722 117.857 0.865 25816 112 1 1 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.689 0.275 25816 113 1 1 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.637 -0.615 25816 114 1 1 . 1 1 27 27 GLU H H 27 7.479 7.479 7.904 -0.425 25816 115 1 1 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.390 0.053 25816 116 1 1 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.914 0.241 25816 117 1 1 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.089 2.591 25816 118 1 1 . 1 1 29 29 THR N N 29 124.459 124.459 117.949 6.510 25816 119 1 1 . 1 1 29 29 THR HA H 29 4.183 4.183 4.570 -0.387 25816 120 1 1 . 1 1 29 29 THR CA C 29 62.474 62.474 62.364 0.110 25816 121 1 1 . 1 1 29 29 THR CB C 29 68.811 68.811 69.544 -0.733 25816 122 1 1 . 1 1 29 29 THR H H 29 8.009 8.009 8.396 -0.387 25816 123 1 1 . 1 1 30 30 GLN N N 30 130.053 130.053 121.927 8.126 25816 124 1 1 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.157 -0.635 25816 125 1 1 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.583 2.303 25816 126 1 1 . 1 1 30 30 GLN CB C 30 27.305 27.305 26.517 0.788 25816 127 1 1 . 1 1 30 30 GLN H H 30 9.321 9.321 8.440 0.881 25816 128 1 1 . 1 1 31 31 THR N N 31 111.234 111.234 111.055 0.179 25816 129 1 1 . 1 1 31 31 THR HA H 31 5.509 5.509 4.543 0.966 25816 130 1 1 . 1 1 31 31 THR CA C 31 58.798 58.798 61.417 -2.619 25816 131 1 1 . 1 1 31 31 THR CB C 31 71.374 71.374 70.206 1.168 25816 132 1 1 . 1 1 31 31 THR H H 31 7.630 7.630 8.158 -0.528 25816 133 1 1 . 1 1 32 32 TYR N N 32 121.998 121.998 116.662 5.336 25816 134 1 1 . 1 1 32 32 TYR HA H 32 4.803 4.803 5.100 -0.297 25816 135 1 1 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.036 -2.237 25816 136 1 1 . 1 1 32 32 TYR CB C 32 39.718 39.718 39.736 -0.018 25816 137 1 1 . 1 1 32 32 TYR H H 32 9.359 9.359 7.102 2.257 25816 138 1 1 . 1 1 33 33 THR N N 33 114.039 114.039 114.707 -0.668 25816 139 1 1 . 1 1 33 33 THR HA H 33 4.390 4.390 4.639 -0.249 25816 140 1 1 . 1 1 33 33 THR CA C 33 59.896 59.896 61.546 -1.650 25816 141 1 1 . 1 1 33 33 THR CB C 33 69.135 69.135 70.522 -1.387 25816 142 1 1 . 1 1 33 33 THR H H 33 7.985 7.985 8.227 -0.242 25816 143 1 1 . 1 1 34 34 GLY N N 34 113.445 113.445 108.554 4.891 25816 144 1 1 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.351 -1.279 25816 145 1 1 . 1 1 34 34 GLY H H 34 8.698 8.698 8.288 0.410 25816 146 1 1 . 1 1 35 35 SER N N 35 113.837 113.837 114.694 -0.857 25816 147 1 1 . 1 1 35 35 SER HA H 35 4.264 4.264 4.051 0.213 25816 148 1 1 . 1 1 35 35 SER CA C 35 57.651 57.651 58.939 -1.288 25816 149 1 1 . 1 1 35 35 SER CB C 35 63.056 63.056 63.760 -0.704 25816 150 1 1 . 1 1 35 35 SER H H 35 8.039 8.039 8.544 -0.505 25816 151 1 1 . 1 1 36 36 ASN N N 36 119.749 119.749 120.709 -0.960 25816 152 1 1 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.405 0.179 25816 153 1 1 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.547 -1.766 25816 154 1 1 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.033 -0.847 25816 155 1 1 . 1 1 36 36 ASN H H 36 8.767 8.767 8.888 -0.121 25816 156 1 1 . 1 1 37 37 GLY N N 37 110.628 110.628 102.017 8.611 25816 157 1 1 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.982 -0.397 25816 158 1 1 . 1 1 37 37 GLY H H 37 8.496 8.496 7.761 0.735 25816 159 1 1 . 1 1 38 38 GLY N N 38 108.654 108.654 111.869 -3.215 25816 160 1 1 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.825 -1.725 25816 161 1 1 . 1 1 38 38 GLY H H 38 7.955 7.955 8.107 -0.152 25816 162 1 1 . 1 1 39 39 ALA N N 39 123.326 123.326 121.635 1.691 25816 163 1 1 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.093 0.118 25816 164 1 1 . 1 1 39 39 ALA CA C 39 50.838 50.838 53.841 -3.003 25816 165 1 1 . 1 1 39 39 ALA CB C 39 18.729 18.729 19.219 -0.490 25816 166 1 1 . 1 1 39 39 ALA H H 39 8.028 8.028 7.940 0.088 25816 167 1 1 . 1 1 40 40 ASP N N 40 119.573 119.573 114.663 4.910 25816 168 1 1 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.430 -0.043 25816 169 1 1 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.583 -0.589 25816 170 1 1 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.595 -0.968 25816 171 1 1 . 1 1 40 40 ASP H H 40 8.261 8.261 8.173 0.088 25816 172 1 1 . 1 1 41 41 LEU N N 41 123.899 123.899 123.360 0.539 25816 173 1 1 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.433 0.009 25816 174 1 1 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.624 -2.403 25816 175 1 1 . 1 1 41 41 LEU CB C 41 43.009 43.009 42.706 0.303 25816 176 1 1 . 1 1 41 41 LEU H H 41 8.663 8.663 8.004 0.659 25816 177 1 1 . 1 1 42 42 MET N N 42 119.684 119.684 117.056 2.628 25816 178 1 1 . 1 1 42 42 MET HA H 42 4.730 4.730 4.097 0.633 25816 179 1 1 . 1 1 42 42 MET CA C 42 54.695 54.695 56.185 -1.490 25816 180 1 1 . 1 1 42 42 MET CB C 42 32.194 32.194 31.101 1.093 25816 181 1 1 . 1 1 42 42 MET H H 42 8.553 8.553 7.648 0.905 25816 182 1 1 . 1 1 43 43 GLY N N 43 113.052 113.052 109.560 3.492 25816 183 1 1 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.508 -3.130 25816 184 1 1 . 1 1 43 43 GLY H H 43 8.618 8.618 8.359 0.259 25816 185 1 1 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.743 -0.023 25816 186 1 1 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.034 -2.803 25816 187 1 1 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.331 0.622 25816 188 1 1 . 1 1 45 45 ALA N N 45 120.693 120.693 123.312 -2.619 25816 189 1 1 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.088 -0.104 25816 190 1 1 . 1 1 45 45 ALA CA C 45 53.804 53.804 55.076 -1.272 25816 191 1 1 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.015 -0.048 25816 192 1 1 . 1 1 45 45 ALA H H 45 7.524 7.524 7.603 -0.079 25816 193 1 1 . 1 1 46 46 PHE N N 46 122.306 122.306 118.883 3.423 25816 194 1 1 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.118 -0.156 25816 195 1 1 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.774 -0.448 25816 196 1 1 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.121 -0.501 25816 197 1 1 . 1 1 46 46 PHE H H 46 8.603 8.603 8.126 0.477 25816 198 1 1 . 1 1 47 47 ALA N N 47 123.253 123.253 121.198 2.055 25816 199 1 1 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.098 -0.010 25816 200 1 1 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.638 -0.687 25816 201 1 1 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.212 -0.565 25816 202 1 1 . 1 1 47 47 ALA H H 47 9.199 9.199 7.972 1.227 25816 203 1 1 . 1 1 48 48 ALA N N 48 117.571 117.571 118.561 -0.990 25816 204 1 1 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.350 -0.047 25816 205 1 1 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.553 0.134 25816 206 1 1 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.872 -1.100 25816 207 1 1 . 1 1 48 48 ALA H H 48 7.262 7.262 7.548 -0.286 25816 208 1 1 . 1 1 49 49 GLY N N 49 103.229 103.229 107.542 -4.313 25816 209 1 1 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.915 -1.296 25816 210 1 1 . 1 1 49 49 GLY H H 49 7.461 7.461 7.500 -0.039 25816 211 1 1 . 1 1 50 50 LEU N N 50 120.470 120.470 121.231 -0.761 25816 212 1 1 . 1 1 50 50 LEU HA H 50 3.518 3.518 3.992 -0.474 25816 213 1 1 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.572 -1.160 25816 214 1 1 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.301 -0.346 25816 215 1 1 . 1 1 50 50 LEU H H 50 7.224 7.224 7.663 -0.439 25816 216 1 1 . 1 1 51 51 ARG N N 51 119.645 119.645 123.653 -4.008 25816 217 1 1 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.888 -1.397 25816 218 1 1 . 1 1 51 51 ARG CB C 51 33.816 33.816 35.427 -1.611 25816 219 1 1 . 1 1 51 51 ARG H H 51 8.678 8.678 8.593 0.085 25816 220 1 1 . 1 1 52 52 VAL N N 52 119.995 119.995 118.151 1.844 25816 221 1 1 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.895 -0.672 25816 222 1 1 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.631 0.587 25816 223 1 1 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.576 -1.427 25816 224 1 1 . 1 1 52 52 VAL H H 52 8.482 8.482 8.309 0.173 25816 225 1 1 . 1 1 53 53 GLY N N 53 117.052 117.052 113.964 3.088 25816 226 1 1 . 1 1 53 53 GLY CA C 53 43.425 43.425 45.117 -1.692 25816 227 1 1 . 1 1 53 53 GLY H H 53 9.122 9.122 8.899 0.223 25816 228 1 1 . 1 1 54 54 ASP N N 54 124.203 124.203 121.287 2.916 25816 229 1 1 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.036 -0.203 25816 230 1 1 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.329 1.405 25816 231 1 1 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.462 -2.183 25816 232 1 1 . 1 1 54 54 ASP H H 54 7.848 7.848 7.733 0.115 25816 233 1 1 . 1 1 55 55 GLN N N 55 121.703 121.703 120.699 1.004 25816 234 1 1 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.686 0.181 25816 235 1 1 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.614 -2.088 25816 236 1 1 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.564 -0.532 25816 237 1 1 . 1 1 55 55 GLN H H 55 9.158 9.158 8.312 0.846 25816 238 1 1 . 1 1 56 56 LEU N N 56 124.733 124.733 126.041 -1.308 25816 239 1 1 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.653 -0.466 25816 240 1 1 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.515 0.680 25816 241 1 1 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.065 -0.052 25816 242 1 1 . 1 1 56 56 LEU H H 56 8.770 8.770 8.075 0.695 25816 243 1 1 . 1 1 57 57 VAL N N 57 123.383 123.383 119.286 4.097 25816 244 1 1 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.515 -0.207 25816 245 1 1 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.866 1.277 25816 246 1 1 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.269 -0.634 25816 247 1 1 . 1 1 57 57 VAL H H 57 8.889 8.889 8.112 0.777 25816 248 1 1 . 1 1 58 58 ARG N N 58 118.094 118.094 117.963 0.131 25816 249 1 1 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.031 1.307 25816 250 1 1 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.695 -3.483 25816 251 1 1 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.616 4.997 25816 252 1 1 . 1 1 58 58 ARG H H 58 8.531 8.531 7.764 0.767 25816 253 1 1 . 1 1 59 59 PHE N N 59 123.332 123.332 118.290 5.042 25816 254 1 1 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.658 0.277 25816 255 1 1 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.377 1.479 25816 256 1 1 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.549 1.422 25816 257 1 1 . 1 1 59 59 PHE H H 59 9.295 9.295 7.784 1.511 25816 258 1 1 . 1 1 60 60 ALA N N 60 127.537 127.537 128.413 -0.876 25816 259 1 1 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.866 -0.279 25816 260 1 1 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.651 -0.277 25816 261 1 1 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.352 -2.879 25816 262 1 1 . 1 1 60 60 ALA H H 60 8.356 8.356 8.534 -0.178 25816 263 1 1 . 1 1 61 61 GLY N N 61 103.058 103.058 109.465 -6.407 25816 264 1 1 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.346 -0.560 25816 265 1 1 . 1 1 61 61 GLY H H 61 9.178 9.178 8.002 1.176 25816 266 1 1 . 1 1 62 62 TYR N N 62 120.218 120.218 118.252 1.966 25816 267 1 1 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.070 0.560 25816 268 1 1 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.823 -1.246 25816 269 1 1 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.017 3.875 25816 270 1 1 . 1 1 62 62 TYR H H 62 7.888 7.888 7.293 0.595 25816 271 1 1 . 1 1 63 63 THR N N 63 120.933 120.933 112.261 8.672 25816 272 1 1 . 1 1 63 63 THR HA H 63 4.479 4.479 4.770 -0.291 25816 273 1 1 . 1 1 63 63 THR CA C 63 62.851 62.851 61.330 1.522 25816 274 1 1 . 1 1 63 63 THR CB C 63 67.848 67.848 71.839 -3.991 25816 275 1 1 . 1 1 63 63 THR H H 63 9.108 9.108 7.587 1.521 25816 276 1 1 . 1 1 64 64 VAL N N 64 121.039 121.039 124.514 -3.475 25816 277 1 1 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.602 -0.003 25816 278 1 1 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.606 -1.739 25816 279 1 1 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.578 -2.574 25816 280 1 1 . 1 1 64 64 VAL H H 64 7.782 7.782 8.584 -0.802 25816 281 1 1 . 1 1 65 65 THR N N 65 114.373 114.373 118.423 -4.050 25816 282 1 1 . 1 1 65 65 THR HA H 65 4.452 4.452 4.254 0.198 25816 283 1 1 . 1 1 65 65 THR CA C 65 60.536 60.536 63.550 -3.014 25816 284 1 1 . 1 1 65 65 THR CB C 65 69.037 69.037 69.196 -0.159 25816 285 1 1 . 1 1 65 65 THR H H 65 9.053 9.053 8.356 0.697 25816 286 1 1 . 1 1 66 66 GLU N N 66 115.766 115.766 119.393 -3.627 25816 287 1 1 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.487 0.076 25816 288 1 1 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.591 -2.204 25816 289 1 1 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.866 0.699 25816 290 1 1 . 1 1 66 66 GLU H H 66 7.345 7.345 7.764 -0.419 25816 291 1 1 . 1 1 67 67 LEU N N 67 124.674 124.674 118.130 6.544 25816 292 1 1 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.547 -0.613 25816 293 1 1 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.976 -0.441 25816 294 1 1 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.888 0.165 25816 295 1 1 . 1 1 67 67 LEU H H 67 8.906 8.906 8.432 0.474 25816 296 1 1 . 1 1 68 68 ALA N N 68 120.493 120.493 122.054 -1.561 25816 297 1 1 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.945 0.191 25816 298 1 1 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.039 -0.365 25816 299 1 1 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.932 -1.411 25816 300 1 1 . 1 1 68 68 ALA H H 68 9.022 9.022 8.495 0.527 25816 301 1 1 . 1 1 69 69 ALA N N 69 119.695 119.695 121.137 -1.442 25816 302 1 1 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.131 0.031 25816 303 1 1 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.702 -0.682 25816 304 1 1 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.290 -0.627 25816 305 1 1 . 1 1 69 69 ALA H H 69 7.258 7.258 7.599 -0.341 25816 306 1 1 . 1 1 70 70 PHE N N 70 119.274 119.274 118.923 0.351 25816 307 1 1 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.157 -0.198 25816 308 1 1 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.563 -0.603 25816 309 1 1 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.527 -1.095 25816 310 1 1 . 1 1 70 70 PHE H H 70 7.769 7.769 7.747 0.022 25816 311 1 1 . 1 1 71 71 ASN N N 71 117.363 117.363 118.056 -0.693 25816 312 1 1 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.612 -0.510 25816 313 1 1 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.002 -1.304 25816 314 1 1 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.501 -2.428 25816 315 1 1 . 1 1 71 71 ASN H H 71 8.801 8.801 8.867 -0.066 25816 316 1 1 . 1 1 72 72 THR N N 72 119.746 119.746 117.308 2.438 25816 317 1 1 . 1 1 72 72 THR HA H 72 4.220 4.220 4.014 0.206 25816 318 1 1 . 1 1 72 72 THR CA C 72 65.927 65.927 67.124 -1.197 25816 319 1 1 . 1 1 72 72 THR CB C 72 67.600 67.600 68.996 -1.396 25816 320 1 1 . 1 1 72 72 THR H H 72 8.109 8.109 7.802 0.307 25816 321 1 1 . 1 1 73 73 VAL N N 73 123.156 123.156 120.187 2.969 25816 322 1 1 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.619 -0.164 25816 323 1 1 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.411 0.745 25816 324 1 1 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.642 -0.306 25816 325 1 1 . 1 1 73 73 VAL H H 73 7.744 7.744 7.893 -0.149 25816 326 1 1 . 1 1 74 74 VAL N N 74 120.420 120.420 117.940 2.480 25816 327 1 1 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.607 -0.241 25816 328 1 1 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.864 0.734 25816 329 1 1 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.843 -1.358 25816 330 1 1 . 1 1 74 74 VAL H H 74 8.154 8.154 7.534 0.620 25816 331 1 1 . 1 1 75 75 ALA N N 75 120.206 120.206 120.233 -0.027 25816 332 1 1 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.057 -0.062 25816 333 1 1 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.242 -0.243 25816 334 1 1 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.782 -1.817 25816 335 1 1 . 1 1 75 75 ALA H H 75 7.788 7.788 7.503 0.285 25816 336 1 1 . 1 1 76 76 ARG N N 76 114.701 114.701 115.254 -0.553 25816 337 1 1 . 1 1 76 76 ARG HA H 76 4.085 4.085 3.931 0.154 25816 338 1 1 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.661 -0.679 25816 339 1 1 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.147 0.537 25816 340 1 1 . 1 1 76 76 ARG H H 76 7.705 7.705 7.694 0.011 25816 341 1 1 . 1 1 77 77 HIS N N 77 112.695 112.695 117.371 -4.676 25816 342 1 1 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.672 0.138 25816 343 1 1 . 1 1 77 77 HIS CA C 77 56.161 56.161 55.111 1.050 25816 344 1 1 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.047 0.986 25816 345 1 1 . 1 1 77 77 HIS H H 77 8.123 8.123 7.319 0.804 25816 346 1 1 . 1 1 78 78 VAL N N 78 119.219 119.219 117.410 1.809 25816 347 1 1 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.348 -0.455 25816 348 1 1 . 1 1 78 78 VAL CA C 78 63.565 63.565 60.561 3.004 25816 349 1 1 . 1 1 78 78 VAL CB C 78 29.128 29.128 32.381 -3.253 25816 350 1 1 . 1 1 78 78 VAL H H 78 8.034 8.034 8.123 -0.089 25816 351 1 1 . 1 1 79 79 ARG N N 79 126.908 126.908 121.537 5.371 25816 352 1 1 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.636 -3.275 25816 353 1 1 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.705 -0.514 25816 354 1 1 . 1 1 79 79 ARG H H 79 7.023 7.023 7.858 -0.835 25816 355 1 1 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.487 -0.462 25816 356 1 1 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.152 -0.582 25816 357 1 1 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.092 -0.880 25816 358 1 1 . 1 1 81 81 SER N N 81 115.039 115.039 112.125 2.914 25816 359 1 1 . 1 1 81 81 SER HA H 81 4.047 4.047 4.411 -0.364 25816 360 1 1 . 1 1 81 81 SER CA C 81 60.713 60.713 58.302 2.411 25816 361 1 1 . 1 1 81 81 SER H H 81 8.210 8.210 7.642 0.568 25816 362 1 1 . 1 1 82 82 ALA N N 82 123.546 123.546 124.640 -1.094 25816 363 1 1 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.494 -0.148 25816 364 1 1 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.839 -0.333 25816 365 1 1 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.846 -0.751 25816 366 1 1 . 1 1 82 82 ALA H H 82 7.770 7.770 7.440 0.330 25816 367 1 1 . 1 1 83 83 SER N N 83 116.753 116.753 118.154 -1.401 25816 368 1 1 . 1 1 83 83 SER HA H 83 5.129 5.129 5.077 0.052 25816 369 1 1 . 1 1 83 83 SER CA C 83 56.582 56.582 57.011 -0.429 25816 370 1 1 . 1 1 83 83 SER CB C 83 62.554 62.554 63.782 -1.228 25816 371 1 1 . 1 1 83 83 SER H H 83 8.524 8.524 8.465 0.059 25816 372 1 1 . 1 1 84 84 ILE N N 84 126.985 126.985 125.947 1.038 25816 373 1 1 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.167 -2.381 25816 374 1 1 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.963 -2.539 25816 375 1 1 . 1 1 84 84 ILE H H 84 9.599 9.599 8.092 1.507 25816 376 1 1 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.509 0.436 25816 377 1 1 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.753 -1.199 25816 378 1 1 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.309 0.118 25816 379 1 1 . 1 1 86 86 VAL N N 86 123.811 123.811 126.073 -2.262 25816 380 1 1 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.382 0.467 25816 381 1 1 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.515 -1.742 25816 382 1 1 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.656 -1.012 25816 383 1 1 . 1 1 86 86 VAL H H 86 9.033 9.033 7.766 1.267 25816 384 1 1 . 1 1 87 87 VAL N N 87 127.839 127.839 125.642 2.197 25816 385 1 1 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.214 0.758 25816 386 1 1 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.487 -1.794 25816 387 1 1 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.997 0.421 25816 388 1 1 . 1 1 87 87 VAL H H 87 9.132 9.132 8.653 0.479 25816 389 1 1 . 1 1 88 88 PHE N N 88 127.301 127.301 128.201 -0.900 25816 390 1 1 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.667 -0.049 25816 391 1 1 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.168 -0.957 25816 392 1 1 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.405 -2.403 25816 393 1 1 . 1 1 88 88 PHE H H 88 9.248 9.248 8.152 1.096 25816 394 1 1 . 1 1 89 89 SER N N 89 113.734 113.734 116.698 -2.964 25816 395 1 1 . 1 1 89 89 SER HA H 89 5.336 5.336 4.307 1.029 25816 396 1 1 . 1 1 89 89 SER CA C 89 54.452 54.452 56.237 -1.785 25816 397 1 1 . 1 1 89 89 SER CB C 89 64.474 64.474 65.857 -1.383 25816 398 1 1 . 1 1 89 89 SER H H 89 9.689 9.689 7.931 1.758 25816 399 1 1 . 1 1 90 90 ARG N N 90 128.114 128.114 124.031 4.083 25816 400 1 1 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.507 0.240 25816 401 1 1 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.985 -0.863 25816 402 1 1 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.876 1.460 25816 403 1 1 . 1 1 90 90 ARG H H 90 8.561 8.561 7.682 0.879 25816 404 1 1 . 1 1 91 91 ASP N N 91 129.790 129.790 124.024 5.766 25816 405 1 1 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.262 0.007 25816 406 1 1 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.800 -0.299 25816 407 1 1 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.017 0.064 25816 408 1 1 . 1 1 91 91 ASP H H 91 9.461 9.461 8.737 0.724 25816 409 1 1 . 1 1 92 92 GLY N N 92 102.404 102.404 102.259 0.145 25816 410 1 1 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.891 -0.585 25816 411 1 1 . 1 1 92 92 GLY H H 92 8.391 8.391 8.298 0.093 25816 412 1 1 . 1 1 93 93 VAL N N 93 123.090 123.090 121.595 1.495 25816 413 1 1 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.818 0.184 25816 414 1 1 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.887 -1.621 25816 415 1 1 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.638 -0.820 25816 416 1 1 . 1 1 93 93 VAL H H 93 7.682 7.682 7.087 0.595 25816 417 1 1 . 1 1 94 94 VAL N N 94 128.414 128.414 125.577 2.837 25816 418 1 1 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.818 0.316 25816 419 1 1 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.197 1.143 25816 420 1 1 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.283 -2.167 25816 421 1 1 . 1 1 94 94 VAL H H 94 8.400 8.400 8.185 0.215 25816 422 1 1 . 1 1 95 95 MET N N 95 129.196 129.196 128.616 0.580 25816 423 1 1 . 1 1 95 95 MET HA H 95 4.352 4.352 4.938 -0.586 25816 424 1 1 . 1 1 95 95 MET CA C 95 53.674 53.674 54.047 -0.373 25816 425 1 1 . 1 1 95 95 MET CB C 95 36.104 36.104 37.370 -1.266 25816 426 1 1 . 1 1 95 95 MET H H 95 9.100 9.100 8.299 0.801 25816 427 1 1 . 1 1 96 96 SER N N 96 111.540 111.540 117.299 -5.759 25816 428 1 1 . 1 1 96 96 SER HA H 96 5.469 5.469 4.974 0.495 25816 429 1 1 . 1 1 96 96 SER CA C 96 55.830 55.830 57.296 -1.466 25816 430 1 1 . 1 1 96 96 SER CB C 96 65.471 65.471 64.766 0.705 25816 431 1 1 . 1 1 96 96 SER H H 96 8.004 8.004 8.385 -0.381 25816 432 1 1 . 1 1 97 97 ALA N N 97 124.079 124.079 127.255 -3.176 25816 433 1 1 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.726 0.062 25816 434 1 1 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.896 -1.497 25816 435 1 1 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.956 0.588 25816 436 1 1 . 1 1 97 97 ALA H H 97 9.145 9.145 8.205 0.940 25816 437 1 1 . 1 1 98 98 THR N N 98 117.342 117.342 119.146 -1.804 25816 438 1 1 . 1 1 98 98 THR HA H 98 4.823 4.823 4.547 0.276 25816 439 1 1 . 1 1 98 98 THR CA C 98 61.053 61.053 62.365 -1.312 25816 440 1 1 . 1 1 98 98 THR CB C 98 69.913 69.913 69.495 0.418 25816 441 1 1 . 1 1 98 98 THR H H 98 8.754 8.754 8.430 0.324 25816 442 1 1 . 1 1 99 99 ILE N N 99 125.689 125.689 128.128 -2.439 25816 443 1 1 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.234 -0.123 25816 444 1 1 . 1 1 99 99 ILE CA C 99 59.369 59.369 61.155 -1.786 25816 445 1 1 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.355 1.336 25816 446 1 1 . 1 1 99 99 ILE H H 99 8.868 8.868 8.054 0.814 25816 447 1 1 . 1 1 100 100 VAL N N 100 129.871 129.871 124.401 5.470 25816 448 1 1 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.894 -0.228 25816 449 1 1 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.361 0.506 25816 450 1 1 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.775 -2.165 25816 451 1 1 . 1 1 100 100 VAL H H 100 8.818 8.818 8.491 0.327 25816 452 1 1 . 1 1 101 101 VAL N N 101 128.299 128.299 127.787 0.512 25816 453 1 1 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.252 -0.883 25816 454 1 1 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.852 2.475 25816 455 1 1 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.542 -0.568 25816 456 1 1 . 1 1 101 101 VAL H H 101 8.795 8.795 7.746 1.049 25816 457 1 1 . 1 1 102 102 GLY N N 102 115.466 115.466 115.943 -0.477 25816 458 1 1 . 1 1 102 102 GLY CA C 102 43.680 43.680 43.778 -0.098 25816 459 1 1 . 1 1 102 102 GLY H H 102 8.393 8.393 8.479 -0.086 25816 460 1 1 . 1 1 103 103 GLU N N 103 119.459 119.459 126.083 -6.624 25816 461 1 1 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.527 0.428 25816 462 1 1 . 1 1 103 103 GLU CA C 103 54.746 54.746 55.062 -0.316 25816 463 1 1 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.457 1.744 25816 464 1 1 . 1 1 103 103 GLU H H 103 8.386 8.386 7.953 0.433 25816 465 1 1 . 1 1 104 104 LEU N N 104 123.881 123.881 116.804 7.077 25816 466 1 1 . 1 1 104 104 LEU HA H 104 4.700 4.700 3.976 0.724 25816 467 1 1 . 1 1 104 104 LEU CA C 104 52.567 52.567 56.190 -3.623 25816 468 1 1 . 1 1 104 104 LEU CB C 104 44.058 44.058 41.688 2.369 25816 469 1 1 . 1 1 104 104 LEU H H 104 8.735 8.735 8.514 0.221 25816 470 1 2 . 1 1 2 2 LEU N N 2 122.611 122.611 125.757 -3.146 25816 471 1 2 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.666 -0.274 25816 472 1 2 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.078 0.254 25816 473 1 2 . 1 1 2 2 LEU CB C 2 41.317 41.317 39.743 1.574 25816 474 1 2 . 1 1 2 2 LEU H H 2 8.535 8.535 8.602 -0.067 25816 475 1 2 . 1 1 3 3 THR N N 3 112.475 112.475 116.854 -4.379 25816 476 1 2 . 1 1 3 3 THR HA H 3 4.777 4.777 4.453 0.324 25816 477 1 2 . 1 1 3 3 THR CA C 3 59.259 59.259 61.720 -2.461 25816 478 1 2 . 1 1 3 3 THR CB C 3 70.185 70.185 69.672 0.512 25816 479 1 2 . 1 1 3 3 THR H H 3 7.903 7.903 7.871 0.032 25816 480 1 2 . 1 1 4 4 ARG N N 4 120.183 120.183 121.638 -1.455 25816 481 1 2 . 1 1 4 4 ARG H H 4 8.809 8.809 8.452 0.357 25816 482 1 2 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.547 -0.175 25816 483 1 2 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.219 1.798 25816 484 1 2 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.521 1.067 25816 485 1 2 . 1 1 6 6 TYR N N 6 120.727 120.727 121.493 -0.766 25816 486 1 2 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.641 -0.007 25816 487 1 2 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.486 -1.409 25816 488 1 2 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.574 -0.520 25816 489 1 2 . 1 1 6 6 TYR H H 6 7.530 7.530 8.188 -0.658 25816 490 1 2 . 1 1 7 7 LEU N N 7 126.575 126.575 125.638 0.937 25816 491 1 2 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.574 -0.167 25816 492 1 2 . 1 1 7 7 LEU H H 7 8.500 8.500 8.335 0.165 25816 493 1 2 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.256 0.451 25816 494 1 2 . 1 1 9 9 PHE N N 9 114.612 114.612 115.032 -0.420 25816 495 1 2 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.853 0.505 25816 496 1 2 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.205 -0.943 25816 497 1 2 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.277 -0.823 25816 498 1 2 . 1 1 9 9 PHE H H 9 7.102 7.102 7.329 -0.227 25816 499 1 2 . 1 1 10 10 ARG N N 10 117.800 117.800 120.390 -2.590 25816 500 1 2 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.767 -0.096 25816 501 1 2 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.827 -1.427 25816 502 1 2 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.715 1.100 25816 503 1 2 . 1 1 10 10 ARG H H 10 8.206 8.206 8.555 -0.349 25816 504 1 2 . 1 1 11 11 VAL N N 11 117.216 117.216 116.127 1.089 25816 505 1 2 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.039 0.128 25816 506 1 2 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.994 -1.804 25816 507 1 2 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.587 -0.712 25816 508 1 2 . 1 1 11 11 VAL H H 11 8.601 8.601 8.287 0.314 25816 509 1 2 . 1 1 12 12 ALA N N 12 123.025 123.025 130.325 -7.300 25816 510 1 2 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.760 -0.180 25816 511 1 2 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.958 -1.415 25816 512 1 2 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.343 1.439 25816 513 1 2 . 1 1 12 12 ALA H H 12 8.861 8.861 8.080 0.781 25816 514 1 2 . 1 1 13 13 VAL N N 13 121.395 121.395 124.509 -3.114 25816 515 1 2 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.134 0.417 25816 516 1 2 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.321 -0.038 25816 517 1 2 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.020 -0.326 25816 518 1 2 . 1 1 13 13 VAL H H 13 8.585 8.585 8.616 -0.031 25816 519 1 2 . 1 1 14 14 GLY N N 14 117.546 117.546 117.497 0.049 25816 520 1 2 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.557 -2.173 25816 521 1 2 . 1 1 14 14 GLY H H 14 8.789 8.789 7.896 0.893 25816 522 1 2 . 1 1 15 15 ARG N N 15 120.075 120.075 120.691 -0.616 25816 523 1 2 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.730 0.380 25816 524 1 2 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.597 -1.704 25816 525 1 2 . 1 1 15 15 ARG CB C 15 32.756 32.756 33.033 -0.277 25816 526 1 2 . 1 1 15 15 ARG H H 15 8.299 8.299 8.333 -0.034 25816 527 1 2 . 1 1 16 16 ASP N N 16 123.872 123.872 122.464 1.408 25816 528 1 2 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.763 -0.018 25816 529 1 2 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.017 -1.647 25816 530 1 2 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.649 -0.897 25816 531 1 2 . 1 1 16 16 ASP H H 16 8.619 8.619 8.279 0.340 25816 532 1 2 . 1 1 17 17 SER N N 17 114.309 114.309 112.580 1.729 25816 533 1 2 . 1 1 17 17 SER HA H 17 4.196 4.196 4.204 -0.008 25816 534 1 2 . 1 1 17 17 SER CA C 17 59.950 59.950 60.429 -0.479 25816 535 1 2 . 1 1 17 17 SER CB C 17 61.825 61.825 63.191 -1.367 25816 536 1 2 . 1 1 17 17 SER H H 17 8.624 8.624 8.216 0.408 25816 537 1 2 . 1 1 18 18 SER N N 18 117.903 117.903 116.579 1.324 25816 538 1 2 . 1 1 18 18 SER HA H 18 4.597 4.597 4.444 0.153 25816 539 1 2 . 1 1 18 18 SER CA C 18 57.732 57.732 58.971 -1.240 25816 540 1 2 . 1 1 18 18 SER CB C 18 63.470 63.470 64.374 -0.904 25816 541 1 2 . 1 1 18 18 SER H H 18 8.385 8.385 7.905 0.480 25816 542 1 2 . 1 1 19 19 GLY N N 19 109.883 109.883 109.690 0.193 25816 543 1 2 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.692 -0.521 25816 544 1 2 . 1 1 19 19 GLY H H 19 8.214 8.214 8.553 -0.339 25816 545 1 2 . 1 1 20 20 CYS N N 20 122.167 122.167 120.027 2.140 25816 546 1 2 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.702 -0.214 25816 547 1 2 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.165 0.872 25816 548 1 2 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.891 -2.206 25816 549 1 2 . 1 1 20 20 CYS H H 20 8.286 8.286 8.052 0.234 25816 550 1 2 . 1 1 21 21 THR N N 21 119.387 119.387 113.249 6.138 25816 551 1 2 . 1 1 21 21 THR HA H 21 4.764 4.764 4.111 0.653 25816 552 1 2 . 1 1 21 21 THR CA C 21 61.953 61.953 63.138 -1.185 25816 553 1 2 . 1 1 21 21 THR CB C 21 68.795 68.795 67.951 0.843 25816 554 1 2 . 1 1 21 21 THR H H 21 8.626 8.626 7.844 0.782 25816 555 1 2 . 1 1 22 22 THR N N 22 116.611 116.611 116.522 0.089 25816 556 1 2 . 1 1 22 22 THR HA H 22 4.513 4.513 4.716 -0.203 25816 557 1 2 . 1 1 22 22 THR CA C 22 58.918 58.918 60.191 -1.273 25816 558 1 2 . 1 1 22 22 THR CB C 22 71.128 71.128 71.442 -0.314 25816 559 1 2 . 1 1 22 22 THR H H 22 8.343 8.343 7.738 0.605 25816 560 1 2 . 1 1 23 23 LEU N N 23 122.893 122.893 125.897 -3.004 25816 561 1 2 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.015 -0.083 25816 562 1 2 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.334 -1.847 25816 563 1 2 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.223 -1.958 25816 564 1 2 . 1 1 23 23 LEU H H 23 9.157 9.157 8.636 0.521 25816 565 1 2 . 1 1 24 24 SER N N 24 116.771 116.771 115.338 1.433 25816 566 1 2 . 1 1 24 24 SER HA H 24 5.173 5.173 4.926 0.247 25816 567 1 2 . 1 1 24 24 SER CA C 24 55.247 55.247 56.984 -1.737 25816 568 1 2 . 1 1 24 24 SER CB C 24 64.841 64.841 65.036 -0.195 25816 569 1 2 . 1 1 24 24 SER H H 24 8.656 8.656 7.981 0.675 25816 570 1 2 . 1 1 25 25 ILE N N 25 122.747 122.747 128.483 -5.736 25816 571 1 2 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.441 -0.410 25816 572 1 2 . 1 1 25 25 ILE CA C 25 61.270 61.270 61.657 -0.387 25816 573 1 2 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.433 -2.784 25816 574 1 2 . 1 1 25 25 ILE H H 25 9.023 9.023 8.943 0.080 25816 575 1 2 . 1 1 26 26 GLN N N 26 129.779 129.779 127.627 2.152 25816 576 1 2 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.344 0.085 25816 577 1 2 . 1 1 26 26 GLN CA C 26 54.587 54.587 58.482 -3.895 25816 578 1 2 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.375 0.900 25816 579 1 2 . 1 1 26 26 GLN H H 26 9.093 9.093 8.633 0.460 25816 580 1 2 . 1 1 27 27 GLU N N 27 118.722 118.722 118.003 0.719 25816 581 1 2 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.705 0.259 25816 582 1 2 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.950 0.072 25816 583 1 2 . 1 1 27 27 GLU H H 27 7.479 7.479 7.849 -0.370 25816 584 1 2 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.485 -0.042 25816 585 1 2 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.240 -0.085 25816 586 1 2 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.379 2.301 25816 587 1 2 . 1 1 29 29 THR N N 29 124.459 124.459 120.440 4.019 25816 588 1 2 . 1 1 29 29 THR HA H 29 4.183 4.183 4.365 -0.182 25816 589 1 2 . 1 1 29 29 THR CA C 29 62.474 62.474 62.111 0.363 25816 590 1 2 . 1 1 29 29 THR CB C 29 68.811 68.811 68.793 0.018 25816 591 1 2 . 1 1 29 29 THR H H 29 8.009 8.009 8.533 -0.524 25816 592 1 2 . 1 1 30 30 GLN N N 30 130.053 130.053 119.580 10.473 25816 593 1 2 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.249 -0.727 25816 594 1 2 . 1 1 30 30 GLN CA C 30 58.886 58.886 58.003 0.883 25816 595 1 2 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.231 -0.926 25816 596 1 2 . 1 1 30 30 GLN H H 30 9.321 9.321 8.395 0.926 25816 597 1 2 . 1 1 31 31 THR N N 31 111.234 111.234 110.673 0.561 25816 598 1 2 . 1 1 31 31 THR HA H 31 5.509 5.509 4.386 1.123 25816 599 1 2 . 1 1 31 31 THR CA C 31 58.798 58.798 62.448 -3.650 25816 600 1 2 . 1 1 31 31 THR CB C 31 71.374 71.374 67.839 3.535 25816 601 1 2 . 1 1 31 31 THR H H 31 7.630 7.630 7.842 -0.212 25816 602 1 2 . 1 1 32 32 TYR N N 32 121.998 121.998 126.939 -4.941 25816 603 1 2 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.676 0.127 25816 604 1 2 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.346 -3.547 25816 605 1 2 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.249 -2.531 25816 606 1 2 . 1 1 32 32 TYR H H 32 9.359 9.359 8.183 1.176 25816 607 1 2 . 1 1 33 33 THR N N 33 114.039 114.039 120.481 -6.442 25816 608 1 2 . 1 1 33 33 THR HA H 33 4.390 4.390 4.603 -0.213 25816 609 1 2 . 1 1 33 33 THR CA C 33 59.896 59.896 62.613 -2.717 25816 610 1 2 . 1 1 33 33 THR CB C 33 69.135 69.135 70.936 -1.801 25816 611 1 2 . 1 1 33 33 THR H H 33 7.985 7.985 8.753 -0.768 25816 612 1 2 . 1 1 34 34 GLY N N 34 113.445 113.445 112.668 0.777 25816 613 1 2 . 1 1 34 34 GLY CA C 34 44.072 44.072 44.518 -0.446 25816 614 1 2 . 1 1 34 34 GLY H H 34 8.698 8.698 8.189 0.509 25816 615 1 2 . 1 1 35 35 SER N N 35 113.837 113.837 117.166 -3.329 25816 616 1 2 . 1 1 35 35 SER HA H 35 4.264 4.264 4.456 -0.192 25816 617 1 2 . 1 1 35 35 SER CA C 35 57.651 57.651 58.342 -0.691 25816 618 1 2 . 1 1 35 35 SER CB C 35 63.056 63.056 63.891 -0.835 25816 619 1 2 . 1 1 35 35 SER H H 35 8.039 8.039 7.846 0.193 25816 620 1 2 . 1 1 36 36 ASN N N 36 119.749 119.749 117.863 1.886 25816 621 1 2 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.460 0.124 25816 622 1 2 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.556 -1.775 25816 623 1 2 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.776 -0.590 25816 624 1 2 . 1 1 36 36 ASN H H 36 8.767 8.767 8.564 0.203 25816 625 1 2 . 1 1 37 37 GLY N N 37 110.628 110.628 104.623 6.005 25816 626 1 2 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.947 -0.362 25816 627 1 2 . 1 1 37 37 GLY H H 37 8.496 8.496 8.496 -0.000 25816 628 1 2 . 1 1 38 38 GLY N N 38 108.654 108.654 108.037 0.617 25816 629 1 2 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.479 -1.379 25816 630 1 2 . 1 1 38 38 GLY H H 38 7.955 7.955 7.425 0.530 25816 631 1 2 . 1 1 39 39 ALA N N 39 123.326 123.326 120.801 2.525 25816 632 1 2 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.702 -0.491 25816 633 1 2 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.773 -1.935 25816 634 1 2 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.169 -2.439 25816 635 1 2 . 1 1 39 39 ALA H H 39 8.028 8.028 8.207 -0.179 25816 636 1 2 . 1 1 40 40 ASP N N 40 119.573 119.573 114.845 4.728 25816 637 1 2 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.563 -0.176 25816 638 1 2 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.353 -0.359 25816 639 1 2 . 1 1 40 40 ASP CB C 40 39.627 39.627 41.259 -1.632 25816 640 1 2 . 1 1 40 40 ASP H H 40 8.261 8.261 7.892 0.369 25816 641 1 2 . 1 1 41 41 LEU N N 41 123.899 123.899 121.345 2.554 25816 642 1 2 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.483 -0.041 25816 643 1 2 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.562 -2.341 25816 644 1 2 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.298 -2.289 25816 645 1 2 . 1 1 41 41 LEU H H 41 8.663 8.663 8.345 0.318 25816 646 1 2 . 1 1 42 42 MET N N 42 119.684 119.684 122.111 -2.427 25816 647 1 2 . 1 1 42 42 MET HA H 42 4.730 4.730 4.381 0.349 25816 648 1 2 . 1 1 42 42 MET CA C 42 54.695 54.695 57.700 -3.006 25816 649 1 2 . 1 1 42 42 MET CB C 42 32.194 32.194 32.882 -0.688 25816 650 1 2 . 1 1 42 42 MET H H 42 8.553 8.553 8.554 -0.001 25816 651 1 2 . 1 1 43 43 GLY N N 43 113.052 113.052 110.866 2.186 25816 652 1 2 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.133 -2.755 25816 653 1 2 . 1 1 43 43 GLY H H 43 8.618 8.618 8.423 0.195 25816 654 1 2 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.428 0.292 25816 655 1 2 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.546 -3.315 25816 656 1 2 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.522 0.431 25816 657 1 2 . 1 1 45 45 ALA N N 45 120.693 120.693 120.418 0.275 25816 658 1 2 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.338 -0.354 25816 659 1 2 . 1 1 45 45 ALA CA C 45 53.804 53.804 53.393 0.411 25816 660 1 2 . 1 1 45 45 ALA CB C 45 17.967 17.967 19.252 -1.285 25816 661 1 2 . 1 1 45 45 ALA H H 45 7.524 7.524 7.907 -0.383 25816 662 1 2 . 1 1 46 46 PHE N N 46 122.306 122.306 120.238 2.068 25816 663 1 2 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.288 -0.326 25816 664 1 2 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.030 0.296 25816 665 1 2 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.504 -0.884 25816 666 1 2 . 1 1 46 46 PHE H H 46 8.603 8.603 8.138 0.465 25816 667 1 2 . 1 1 47 47 ALA N N 47 123.253 123.253 121.779 1.474 25816 668 1 2 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.294 -0.206 25816 669 1 2 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.265 -0.314 25816 670 1 2 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.621 -0.974 25816 671 1 2 . 1 1 47 47 ALA H H 47 9.199 9.199 8.266 0.933 25816 672 1 2 . 1 1 48 48 ALA N N 48 117.571 117.571 118.110 -0.539 25816 673 1 2 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.283 0.020 25816 674 1 2 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.907 -0.220 25816 675 1 2 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.808 -1.036 25816 676 1 2 . 1 1 48 48 ALA H H 48 7.262 7.262 8.037 -0.775 25816 677 1 2 . 1 1 49 49 GLY N N 49 103.229 103.229 107.405 -4.176 25816 678 1 2 . 1 1 49 49 GLY CA C 49 43.619 43.619 45.044 -1.425 25816 679 1 2 . 1 1 49 49 GLY H H 49 7.461 7.461 7.581 -0.120 25816 680 1 2 . 1 1 50 50 LEU N N 50 120.470 120.470 119.918 0.552 25816 681 1 2 . 1 1 50 50 LEU HA H 50 3.518 3.518 3.996 -0.478 25816 682 1 2 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.631 -1.219 25816 683 1 2 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.440 -0.485 25816 684 1 2 . 1 1 50 50 LEU H H 50 7.224 7.224 7.246 -0.022 25816 685 1 2 . 1 1 51 51 ARG N N 51 119.645 119.645 122.713 -3.068 25816 686 1 2 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.953 -1.462 25816 687 1 2 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.966 -1.150 25816 688 1 2 . 1 1 51 51 ARG H H 51 8.678 8.678 8.319 0.359 25816 689 1 2 . 1 1 52 52 VAL N N 52 119.995 119.995 118.241 1.754 25816 690 1 2 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.916 -0.693 25816 691 1 2 . 1 1 52 52 VAL CA C 52 64.218 64.218 64.095 0.123 25816 692 1 2 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.256 -1.107 25816 693 1 2 . 1 1 52 52 VAL H H 52 8.482 8.482 8.257 0.225 25816 694 1 2 . 1 1 53 53 GLY N N 53 117.052 117.052 114.773 2.279 25816 695 1 2 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.994 -1.569 25816 696 1 2 . 1 1 53 53 GLY H H 53 9.122 9.122 9.017 0.105 25816 697 1 2 . 1 1 54 54 ASP N N 54 124.203 124.203 120.785 3.418 25816 698 1 2 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.914 -0.081 25816 699 1 2 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.765 0.969 25816 700 1 2 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.590 -2.311 25816 701 1 2 . 1 1 54 54 ASP H H 54 7.848 7.848 7.769 0.079 25816 702 1 2 . 1 1 55 55 GLN N N 55 121.703 121.703 120.774 0.929 25816 703 1 2 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.655 0.212 25816 704 1 2 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.269 -1.742 25816 705 1 2 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.528 -0.496 25816 706 1 2 . 1 1 55 55 GLN H H 55 9.158 9.158 8.296 0.862 25816 707 1 2 . 1 1 56 56 LEU N N 56 124.733 124.733 126.473 -1.740 25816 708 1 2 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.597 -0.410 25816 709 1 2 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.472 0.723 25816 710 1 2 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.233 -0.220 25816 711 1 2 . 1 1 56 56 LEU H H 56 8.770 8.770 8.412 0.358 25816 712 1 2 . 1 1 57 57 VAL N N 57 123.383 123.383 123.872 -0.489 25816 713 1 2 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.477 -0.169 25816 714 1 2 . 1 1 57 57 VAL CA C 57 63.143 63.143 60.812 2.331 25816 715 1 2 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.457 -0.822 25816 716 1 2 . 1 1 57 57 VAL H H 57 8.889 8.889 7.886 1.003 25816 717 1 2 . 1 1 58 58 ARG N N 58 118.094 118.094 119.676 -1.582 25816 718 1 2 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.517 0.821 25816 719 1 2 . 1 1 58 58 ARG CA C 58 54.212 54.212 56.068 -1.856 25816 720 1 2 . 1 1 58 58 ARG CB C 58 34.613 34.613 33.187 1.426 25816 721 1 2 . 1 1 58 58 ARG H H 58 8.531 8.531 8.526 0.005 25816 722 1 2 . 1 1 59 59 PHE N N 59 123.332 123.332 117.834 5.498 25816 723 1 2 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.766 0.170 25816 724 1 2 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.821 1.035 25816 725 1 2 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.104 2.867 25816 726 1 2 . 1 1 59 59 PHE H H 59 9.295 9.295 7.474 1.821 25816 727 1 2 . 1 1 60 60 ALA N N 60 127.537 127.537 125.201 2.336 25816 728 1 2 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.103 -0.516 25816 729 1 2 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.542 -1.168 25816 730 1 2 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.691 -3.218 25816 731 1 2 . 1 1 60 60 ALA H H 60 8.356 8.356 8.766 -0.410 25816 732 1 2 . 1 1 61 61 GLY N N 61 103.058 103.058 106.112 -3.054 25816 733 1 2 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.317 -0.530 25816 734 1 2 . 1 1 61 61 GLY H H 61 9.178 9.178 8.072 1.106 25816 735 1 2 . 1 1 62 62 TYR N N 62 120.218 120.218 116.878 3.340 25816 736 1 2 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.205 0.425 25816 737 1 2 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.978 -1.401 25816 738 1 2 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.636 3.256 25816 739 1 2 . 1 1 62 62 TYR H H 62 7.888 7.888 7.404 0.484 25816 740 1 2 . 1 1 63 63 THR N N 63 120.933 120.933 113.697 7.236 25816 741 1 2 . 1 1 63 63 THR HA H 63 4.479 4.479 4.765 -0.286 25816 742 1 2 . 1 1 63 63 THR CA C 63 62.851 62.851 62.020 0.831 25816 743 1 2 . 1 1 63 63 THR CB C 63 67.848 67.848 70.695 -2.848 25816 744 1 2 . 1 1 63 63 THR H H 63 9.108 9.108 8.180 0.928 25816 745 1 2 . 1 1 64 64 VAL N N 64 121.039 121.039 123.765 -2.726 25816 746 1 2 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.704 -0.105 25816 747 1 2 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.014 -1.147 25816 748 1 2 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.002 -1.998 25816 749 1 2 . 1 1 64 64 VAL H H 64 7.782 7.782 8.687 -0.905 25816 750 1 2 . 1 1 65 65 THR N N 65 114.373 114.373 117.819 -3.446 25816 751 1 2 . 1 1 65 65 THR HA H 65 4.452 4.452 4.474 -0.022 25816 752 1 2 . 1 1 65 65 THR CA C 65 60.536 60.536 62.552 -2.016 25816 753 1 2 . 1 1 65 65 THR CB C 65 69.037 69.037 69.331 -0.294 25816 754 1 2 . 1 1 65 65 THR H H 65 9.053 9.053 8.278 0.775 25816 755 1 2 . 1 1 66 66 GLU N N 66 115.766 115.766 119.556 -3.790 25816 756 1 2 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.538 0.025 25816 757 1 2 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.555 -2.168 25816 758 1 2 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.196 0.369 25816 759 1 2 . 1 1 66 66 GLU H H 66 7.345 7.345 7.731 -0.386 25816 760 1 2 . 1 1 67 67 LEU N N 67 124.674 124.674 118.747 5.927 25816 761 1 2 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.547 -0.613 25816 762 1 2 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.908 -0.373 25816 763 1 2 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.111 -0.058 25816 764 1 2 . 1 1 67 67 LEU H H 67 8.906 8.906 8.404 0.502 25816 765 1 2 . 1 1 68 68 ALA N N 68 120.493 120.493 122.132 -1.639 25816 766 1 2 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.983 0.153 25816 767 1 2 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.015 -0.341 25816 768 1 2 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.883 -1.362 25816 769 1 2 . 1 1 68 68 ALA H H 68 9.022 9.022 8.498 0.524 25816 770 1 2 . 1 1 69 69 ALA N N 69 119.695 119.695 121.119 -1.424 25816 771 1 2 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.073 0.089 25816 772 1 2 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.798 -0.778 25816 773 1 2 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.373 -0.710 25816 774 1 2 . 1 1 69 69 ALA H H 69 7.258 7.258 7.409 -0.151 25816 775 1 2 . 1 1 70 70 PHE N N 70 119.274 119.274 119.370 -0.096 25816 776 1 2 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.189 -0.230 25816 777 1 2 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.536 0.424 25816 778 1 2 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.414 -0.982 25816 779 1 2 . 1 1 70 70 PHE H H 70 7.769 7.769 7.818 -0.049 25816 780 1 2 . 1 1 71 71 ASN N N 71 117.363 117.363 117.558 -0.195 25816 781 1 2 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.315 -0.213 25816 782 1 2 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.104 -1.407 25816 783 1 2 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.298 -2.225 25816 784 1 2 . 1 1 71 71 ASN H H 71 8.801 8.801 8.797 0.004 25816 785 1 2 . 1 1 72 72 THR N N 72 119.746 119.746 117.644 2.102 25816 786 1 2 . 1 1 72 72 THR HA H 72 4.220 4.220 4.059 0.161 25816 787 1 2 . 1 1 72 72 THR CA C 72 65.927 65.927 66.690 -0.763 25816 788 1 2 . 1 1 72 72 THR CB C 72 67.600 67.600 68.645 -1.045 25816 789 1 2 . 1 1 72 72 THR H H 72 8.109 8.109 7.814 0.295 25816 790 1 2 . 1 1 73 73 VAL N N 73 123.156 123.156 119.706 3.450 25816 791 1 2 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.589 -0.134 25816 792 1 2 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.188 -0.032 25816 793 1 2 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.301 -0.965 25816 794 1 2 . 1 1 73 73 VAL H H 73 7.744 7.744 7.754 -0.010 25816 795 1 2 . 1 1 74 74 VAL N N 74 120.420 120.420 119.815 0.605 25816 796 1 2 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.628 -0.262 25816 797 1 2 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.901 0.697 25816 798 1 2 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.529 -0.044 25816 799 1 2 . 1 1 74 74 VAL H H 74 8.154 8.154 7.602 0.552 25816 800 1 2 . 1 1 75 75 ALA N N 75 120.206 120.206 122.122 -1.916 25816 801 1 2 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.189 -0.194 25816 802 1 2 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.425 -0.426 25816 803 1 2 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.515 -1.551 25816 804 1 2 . 1 1 75 75 ALA H H 75 7.788 7.788 7.641 0.147 25816 805 1 2 . 1 1 76 76 ARG N N 76 114.701 114.701 114.647 0.054 25816 806 1 2 . 1 1 76 76 ARG HA H 76 4.085 4.085 3.960 0.125 25816 807 1 2 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.271 -0.289 25816 808 1 2 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.075 0.609 25816 809 1 2 . 1 1 76 76 ARG H H 76 7.705 7.705 7.685 0.020 25816 810 1 2 . 1 1 77 77 HIS N N 77 112.695 112.695 118.726 -6.031 25816 811 1 2 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.630 0.180 25816 812 1 2 . 1 1 77 77 HIS CA C 77 56.161 56.161 55.332 0.829 25816 813 1 2 . 1 1 77 77 HIS CB C 77 31.033 31.033 29.227 1.806 25816 814 1 2 . 1 1 77 77 HIS H H 77 8.123 8.123 7.200 0.923 25816 815 1 2 . 1 1 78 78 VAL N N 78 119.219 119.219 117.196 2.023 25816 816 1 2 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.482 -0.589 25816 817 1 2 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.354 2.211 25816 818 1 2 . 1 1 78 78 VAL CB C 78 29.128 29.128 32.424 -3.296 25816 819 1 2 . 1 1 78 78 VAL H H 78 8.034 8.034 7.835 0.199 25816 820 1 2 . 1 1 79 79 ARG N N 79 126.908 126.908 121.773 5.135 25816 821 1 2 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.575 -3.214 25816 822 1 2 . 1 1 79 79 ARG CB C 79 30.191 30.191 31.127 -0.936 25816 823 1 2 . 1 1 79 79 ARG H H 79 7.023 7.023 7.830 -0.807 25816 824 1 2 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.478 -0.453 25816 825 1 2 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.422 -0.852 25816 826 1 2 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.938 -0.726 25816 827 1 2 . 1 1 81 81 SER N N 81 115.039 115.039 111.792 3.247 25816 828 1 2 . 1 1 81 81 SER HA H 81 4.047 4.047 4.462 -0.415 25816 829 1 2 . 1 1 81 81 SER CA C 81 60.713 60.713 58.040 2.673 25816 830 1 2 . 1 1 81 81 SER H H 81 8.210 8.210 7.524 0.686 25816 831 1 2 . 1 1 82 82 ALA N N 82 123.546 123.546 124.257 -0.711 25816 832 1 2 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.319 0.027 25816 833 1 2 . 1 1 82 82 ALA CA C 82 51.506 51.506 52.630 -1.124 25816 834 1 2 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.588 -0.493 25816 835 1 2 . 1 1 82 82 ALA H H 82 7.770 7.770 7.435 0.335 25816 836 1 2 . 1 1 83 83 SER N N 83 116.753 116.753 118.913 -2.160 25816 837 1 2 . 1 1 83 83 SER HA H 83 5.129 5.129 4.753 0.376 25816 838 1 2 . 1 1 83 83 SER CA C 83 56.582 56.582 57.432 -0.850 25816 839 1 2 . 1 1 83 83 SER CB C 83 62.554 62.554 63.139 -0.585 25816 840 1 2 . 1 1 83 83 SER H H 83 8.524 8.524 8.448 0.076 25816 841 1 2 . 1 1 84 84 ILE N N 84 126.985 126.985 126.427 0.558 25816 842 1 2 . 1 1 84 84 ILE CA C 84 54.786 54.786 56.993 -2.207 25816 843 1 2 . 1 1 84 84 ILE CB C 84 38.424 38.424 38.191 0.233 25816 844 1 2 . 1 1 84 84 ILE H H 84 9.599 9.599 7.781 1.818 25816 845 1 2 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.456 0.489 25816 846 1 2 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.500 -0.946 25816 847 1 2 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.063 0.364 25816 848 1 2 . 1 1 86 86 VAL N N 86 123.811 123.811 127.698 -3.887 25816 849 1 2 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.355 0.494 25816 850 1 2 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.391 -0.618 25816 851 1 2 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.135 0.509 25816 852 1 2 . 1 1 86 86 VAL H H 86 9.033 9.033 7.988 1.045 25816 853 1 2 . 1 1 87 87 VAL N N 87 127.839 127.839 128.846 -1.007 25816 854 1 2 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.347 0.625 25816 855 1 2 . 1 1 87 87 VAL CA C 87 60.693 60.693 60.823 -0.130 25816 856 1 2 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.546 -0.128 25816 857 1 2 . 1 1 87 87 VAL H H 87 9.132 9.132 8.604 0.528 25816 858 1 2 . 1 1 88 88 PHE N N 88 127.301 127.301 127.433 -0.132 25816 859 1 2 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.527 0.091 25816 860 1 2 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.763 -0.552 25816 861 1 2 . 1 1 88 88 PHE CB C 88 41.002 41.002 41.885 -0.883 25816 862 1 2 . 1 1 88 88 PHE H H 88 9.248 9.248 7.870 1.378 25816 863 1 2 . 1 1 89 89 SER N N 89 113.734 113.734 114.882 -1.148 25816 864 1 2 . 1 1 89 89 SER HA H 89 5.336 5.336 4.960 0.376 25816 865 1 2 . 1 1 89 89 SER CA C 89 54.452 54.452 56.784 -2.332 25816 866 1 2 . 1 1 89 89 SER CB C 89 64.474 64.474 66.115 -1.641 25816 867 1 2 . 1 1 89 89 SER H H 89 9.689 9.689 8.170 1.519 25816 868 1 2 . 1 1 90 90 ARG N N 90 128.114 128.114 124.365 3.749 25816 869 1 2 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.606 0.141 25816 870 1 2 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.387 -1.265 25816 871 1 2 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.471 0.865 25816 872 1 2 . 1 1 90 90 ARG H H 90 8.561 8.561 8.026 0.535 25816 873 1 2 . 1 1 91 91 ASP N N 91 129.790 129.790 124.428 5.362 25816 874 1 2 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.353 -0.084 25816 875 1 2 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.697 -0.196 25816 876 1 2 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.900 0.181 25816 877 1 2 . 1 1 91 91 ASP H H 91 9.461 9.461 8.887 0.574 25816 878 1 2 . 1 1 92 92 GLY N N 92 102.404 102.404 102.757 -0.353 25816 879 1 2 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.021 -0.716 25816 880 1 2 . 1 1 92 92 GLY H H 92 8.391 8.391 8.426 -0.035 25816 881 1 2 . 1 1 93 93 VAL N N 93 123.090 123.090 122.388 0.702 25816 882 1 2 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.906 0.096 25816 883 1 2 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.276 -2.010 25816 884 1 2 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.733 -0.915 25816 885 1 2 . 1 1 93 93 VAL H H 93 7.682 7.682 7.277 0.405 25816 886 1 2 . 1 1 94 94 VAL N N 94 128.414 128.414 126.382 2.032 25816 887 1 2 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.100 0.034 25816 888 1 2 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.187 2.154 25816 889 1 2 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.844 -2.728 25816 890 1 2 . 1 1 94 94 VAL H H 94 8.400 8.400 8.155 0.245 25816 891 1 2 . 1 1 95 95 MET N N 95 129.196 129.196 128.779 0.417 25816 892 1 2 . 1 1 95 95 MET HA H 95 4.352 4.352 4.721 -0.369 25816 893 1 2 . 1 1 95 95 MET CA C 95 53.674 53.674 53.979 -0.305 25816 894 1 2 . 1 1 95 95 MET CB C 95 36.104 36.104 36.886 -0.782 25816 895 1 2 . 1 1 95 95 MET H H 95 9.100 9.100 8.031 1.069 25816 896 1 2 . 1 1 96 96 SER N N 96 111.540 111.540 115.755 -4.215 25816 897 1 2 . 1 1 96 96 SER HA H 96 5.469 5.469 4.793 0.676 25816 898 1 2 . 1 1 96 96 SER CA C 96 55.830 55.830 57.291 -1.461 25816 899 1 2 . 1 1 96 96 SER CB C 96 65.471 65.471 64.758 0.713 25816 900 1 2 . 1 1 96 96 SER H H 96 8.004 8.004 8.305 -0.301 25816 901 1 2 . 1 1 97 97 ALA N N 97 124.079 124.079 128.332 -4.253 25816 902 1 2 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.794 -0.006 25816 903 1 2 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.024 -1.625 25816 904 1 2 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.250 0.294 25816 905 1 2 . 1 1 97 97 ALA H H 97 9.145 9.145 8.256 0.889 25816 906 1 2 . 1 1 98 98 THR N N 98 117.342 117.342 118.574 -1.232 25816 907 1 2 . 1 1 98 98 THR HA H 98 4.823 4.823 4.644 0.179 25816 908 1 2 . 1 1 98 98 THR CA C 98 61.053 61.053 62.049 -0.996 25816 909 1 2 . 1 1 98 98 THR CB C 98 69.913 69.913 69.272 0.641 25816 910 1 2 . 1 1 98 98 THR H H 98 8.754 8.754 8.423 0.331 25816 911 1 2 . 1 1 99 99 ILE N N 99 125.689 125.689 124.116 1.573 25816 912 1 2 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.549 -0.438 25816 913 1 2 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.264 -0.895 25816 914 1 2 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.968 0.723 25816 915 1 2 . 1 1 99 99 ILE H H 99 8.868 8.868 8.020 0.848 25816 916 1 2 . 1 1 100 100 VAL N N 100 129.871 129.871 124.062 5.809 25816 917 1 2 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.707 -0.041 25816 918 1 2 . 1 1 100 100 VAL CA C 100 60.867 60.867 59.978 0.889 25816 919 1 2 . 1 1 100 100 VAL CB C 100 29.610 29.610 30.932 -1.322 25816 920 1 2 . 1 1 100 100 VAL H H 100 8.818 8.818 8.438 0.380 25816 921 1 2 . 1 1 101 101 VAL N N 101 128.299 128.299 127.122 1.177 25816 922 1 2 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.088 -0.719 25816 923 1 2 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.312 2.015 25816 924 1 2 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.383 -1.409 25816 925 1 2 . 1 1 101 101 VAL H H 101 8.795 8.795 7.651 1.144 25816 926 1 2 . 1 1 102 102 GLY N N 102 115.466 115.466 115.820 -0.354 25816 927 1 2 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.383 -0.703 25816 928 1 2 . 1 1 102 102 GLY H H 102 8.393 8.393 8.683 -0.290 25816 929 1 2 . 1 1 103 103 GLU N N 103 119.459 119.459 123.508 -4.049 25816 930 1 2 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.377 0.578 25816 931 1 2 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.347 -1.601 25816 932 1 2 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.234 1.967 25816 933 1 2 . 1 1 103 103 GLU H H 103 8.386 8.386 8.801 -0.415 25816 934 1 2 . 1 1 104 104 LEU N N 104 123.881 123.881 116.622 7.259 25816 935 1 2 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.480 0.220 25816 936 1 2 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.080 -1.513 25816 937 1 2 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.514 1.544 25816 938 1 2 . 1 1 104 104 LEU H H 104 8.735 8.735 7.694 1.041 25816 939 1 3 . 1 1 2 2 LEU N N 2 122.611 122.611 120.743 1.868 25816 940 1 3 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.584 -0.192 25816 941 1 3 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.924 -1.592 25816 942 1 3 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.937 -1.620 25816 943 1 3 . 1 1 2 2 LEU H H 2 8.535 8.535 8.308 0.227 25816 944 1 3 . 1 1 3 3 THR N N 3 112.475 112.475 117.061 -4.586 25816 945 1 3 . 1 1 3 3 THR HA H 3 4.777 4.777 4.596 0.181 25816 946 1 3 . 1 1 3 3 THR CA C 3 59.259 59.259 61.776 -2.518 25816 947 1 3 . 1 1 3 3 THR CB C 3 70.185 70.185 70.146 0.039 25816 948 1 3 . 1 1 3 3 THR H H 3 7.903 7.903 8.155 -0.252 25816 949 1 3 . 1 1 4 4 ARG N N 4 120.183 120.183 123.086 -2.903 25816 950 1 3 . 1 1 4 4 ARG H H 4 8.809 8.809 8.764 0.045 25816 951 1 3 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.454 -0.082 25816 952 1 3 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.492 1.525 25816 953 1 3 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.359 1.229 25816 954 1 3 . 1 1 6 6 TYR N N 6 120.727 120.727 122.853 -2.126 25816 955 1 3 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.594 0.040 25816 956 1 3 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.390 -1.314 25816 957 1 3 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.480 -0.426 25816 958 1 3 . 1 1 6 6 TYR H H 6 7.530 7.530 8.123 -0.593 25816 959 1 3 . 1 1 7 7 LEU N N 7 126.575 126.575 121.979 4.596 25816 960 1 3 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.124 0.283 25816 961 1 3 . 1 1 7 7 LEU H H 7 8.500 8.500 8.279 0.221 25816 962 1 3 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.788 0.918 25816 963 1 3 . 1 1 9 9 PHE N N 9 114.612 114.612 115.153 -0.541 25816 964 1 3 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.031 0.327 25816 965 1 3 . 1 1 9 9 PHE CA C 9 55.262 55.262 56.337 -1.075 25816 966 1 3 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.821 -1.367 25816 967 1 3 . 1 1 9 9 PHE H H 9 7.102 7.102 7.328 -0.226 25816 968 1 3 . 1 1 10 10 ARG N N 10 117.800 117.800 120.980 -3.180 25816 969 1 3 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.661 0.010 25816 970 1 3 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.187 -1.788 25816 971 1 3 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.368 1.447 25816 972 1 3 . 1 1 10 10 ARG H H 10 8.206 8.206 8.583 -0.377 25816 973 1 3 . 1 1 11 11 VAL N N 11 117.216 117.216 118.973 -1.757 25816 974 1 3 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.112 0.055 25816 975 1 3 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.206 -2.016 25816 976 1 3 . 1 1 11 11 VAL CB C 11 33.875 33.875 33.623 0.252 25816 977 1 3 . 1 1 11 11 VAL H H 11 8.601 8.601 8.522 0.079 25816 978 1 3 . 1 1 12 12 ALA N N 12 123.025 123.025 131.258 -8.233 25816 979 1 3 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.769 -0.189 25816 980 1 3 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.858 -1.315 25816 981 1 3 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.427 1.355 25816 982 1 3 . 1 1 12 12 ALA H H 12 8.861 8.861 8.099 0.762 25816 983 1 3 . 1 1 13 13 VAL N N 13 121.395 121.395 123.099 -1.704 25816 984 1 3 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.390 0.161 25816 985 1 3 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.324 -0.041 25816 986 1 3 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.064 -0.370 25816 987 1 3 . 1 1 13 13 VAL H H 13 8.585 8.585 8.548 0.037 25816 988 1 3 . 1 1 14 14 GLY N N 14 117.546 117.546 116.666 0.880 25816 989 1 3 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.328 -1.944 25816 990 1 3 . 1 1 14 14 GLY H H 14 8.789 8.789 7.808 0.981 25816 991 1 3 . 1 1 15 15 ARG N N 15 120.075 120.075 120.298 -0.223 25816 992 1 3 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.711 0.399 25816 993 1 3 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.293 -1.400 25816 994 1 3 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.148 0.608 25816 995 1 3 . 1 1 15 15 ARG H H 15 8.299 8.299 8.387 -0.088 25816 996 1 3 . 1 1 16 16 ASP N N 16 123.872 123.872 122.934 0.938 25816 997 1 3 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.602 0.143 25816 998 1 3 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.942 -1.571 25816 999 1 3 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.154 -0.402 25816 1000 1 3 . 1 1 16 16 ASP H H 16 8.619 8.619 8.382 0.237 25816 1001 1 3 . 1 1 17 17 SER N N 17 114.309 114.309 113.117 1.192 25816 1002 1 3 . 1 1 17 17 SER HA H 17 4.196 4.196 4.205 -0.009 25816 1003 1 3 . 1 1 17 17 SER CA C 17 59.950 59.950 60.728 -0.778 25816 1004 1 3 . 1 1 17 17 SER CB C 17 61.825 61.825 63.114 -1.290 25816 1005 1 3 . 1 1 17 17 SER H H 17 8.624 8.624 8.482 0.142 25816 1006 1 3 . 1 1 18 18 SER N N 18 117.903 117.903 115.081 2.822 25816 1007 1 3 . 1 1 18 18 SER HA H 18 4.597 4.597 4.443 0.154 25816 1008 1 3 . 1 1 18 18 SER CA C 18 57.732 57.732 58.981 -1.249 25816 1009 1 3 . 1 1 18 18 SER CB C 18 63.470 63.470 64.352 -0.882 25816 1010 1 3 . 1 1 18 18 SER H H 18 8.385 8.385 7.704 0.681 25816 1011 1 3 . 1 1 19 19 GLY N N 19 109.883 109.883 109.721 0.162 25816 1012 1 3 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.674 -0.503 25816 1013 1 3 . 1 1 19 19 GLY H H 19 8.214 8.214 8.757 -0.543 25816 1014 1 3 . 1 1 20 20 CYS N N 20 122.167 122.167 119.484 2.683 25816 1015 1 3 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.637 -0.149 25816 1016 1 3 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.499 0.538 25816 1017 1 3 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.110 -2.425 25816 1018 1 3 . 1 1 20 20 CYS H H 20 8.286 8.286 8.090 0.196 25816 1019 1 3 . 1 1 21 21 THR N N 21 119.387 119.387 115.052 4.335 25816 1020 1 3 . 1 1 21 21 THR HA H 21 4.764 4.764 4.082 0.682 25816 1021 1 3 . 1 1 21 21 THR CA C 21 61.953 61.953 63.042 -1.089 25816 1022 1 3 . 1 1 21 21 THR CB C 21 68.795 68.795 67.580 1.215 25816 1023 1 3 . 1 1 21 21 THR H H 21 8.626 8.626 7.984 0.642 25816 1024 1 3 . 1 1 22 22 THR N N 22 116.611 116.611 117.252 -0.641 25816 1025 1 3 . 1 1 22 22 THR HA H 22 4.513 4.513 4.737 -0.224 25816 1026 1 3 . 1 1 22 22 THR CA C 22 58.918 58.918 60.339 -1.421 25816 1027 1 3 . 1 1 22 22 THR CB C 22 71.128 71.128 71.354 -0.226 25816 1028 1 3 . 1 1 22 22 THR H H 22 8.343 8.343 7.905 0.438 25816 1029 1 3 . 1 1 23 23 LEU N N 23 122.893 122.893 126.715 -3.822 25816 1030 1 3 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.062 -0.130 25816 1031 1 3 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.227 -1.740 25816 1032 1 3 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.610 -1.345 25816 1033 1 3 . 1 1 23 23 LEU H H 23 9.157 9.157 8.637 0.520 25816 1034 1 3 . 1 1 24 24 SER N N 24 116.771 116.771 118.203 -1.432 25816 1035 1 3 . 1 1 24 24 SER HA H 24 5.173 5.173 4.754 0.419 25816 1036 1 3 . 1 1 24 24 SER CA C 24 55.247 55.247 58.134 -2.887 25816 1037 1 3 . 1 1 24 24 SER CB C 24 64.841 64.841 64.475 0.366 25816 1038 1 3 . 1 1 24 24 SER H H 24 8.656 8.656 8.064 0.592 25816 1039 1 3 . 1 1 25 25 ILE N N 25 122.747 122.747 125.398 -2.651 25816 1040 1 3 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.802 -0.771 25816 1041 1 3 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.554 0.716 25816 1042 1 3 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.880 -3.231 25816 1043 1 3 . 1 1 25 25 ILE H H 25 9.023 9.023 8.961 0.062 25816 1044 1 3 . 1 1 26 26 GLN N N 26 129.779 129.779 126.844 2.935 25816 1045 1 3 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.435 -0.006 25816 1046 1 3 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.635 -2.047 25816 1047 1 3 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.049 1.227 25816 1048 1 3 . 1 1 26 26 GLN H H 26 9.093 9.093 8.555 0.538 25816 1049 1 3 . 1 1 27 27 GLU N N 27 118.722 118.722 117.762 0.960 25816 1050 1 3 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.825 0.139 25816 1051 1 3 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.844 -0.822 25816 1052 1 3 . 1 1 27 27 GLU H H 27 7.479 7.479 7.814 -0.335 25816 1053 1 3 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.355 0.088 25816 1054 1 3 . 1 1 28 28 VAL CA C 28 61.155 61.155 62.030 -0.875 25816 1055 1 3 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.129 2.551 25816 1056 1 3 . 1 1 29 29 THR N N 29 124.459 124.459 118.743 5.716 25816 1057 1 3 . 1 1 29 29 THR HA H 29 4.183 4.183 4.448 -0.265 25816 1058 1 3 . 1 1 29 29 THR CA C 29 62.474 62.474 63.138 -0.664 25816 1059 1 3 . 1 1 29 29 THR CB C 29 68.811 68.811 68.700 0.111 25816 1060 1 3 . 1 1 29 29 THR H H 29 8.009 8.009 8.255 -0.246 25816 1061 1 3 . 1 1 30 30 GLN N N 30 130.053 130.053 119.696 10.357 25816 1062 1 3 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.421 -0.899 25816 1063 1 3 . 1 1 30 30 GLN CA C 30 58.886 58.886 55.911 2.975 25816 1064 1 3 . 1 1 30 30 GLN CB C 30 27.305 27.305 26.997 0.308 25816 1065 1 3 . 1 1 30 30 GLN H H 30 9.321 9.321 8.410 0.911 25816 1066 1 3 . 1 1 31 31 THR N N 31 111.234 111.234 108.545 2.689 25816 1067 1 3 . 1 1 31 31 THR HA H 31 5.509 5.509 4.808 0.701 25816 1068 1 3 . 1 1 31 31 THR CA C 31 58.798 58.798 60.933 -2.135 25816 1069 1 3 . 1 1 31 31 THR CB C 31 71.374 71.374 70.022 1.352 25816 1070 1 3 . 1 1 31 31 THR H H 31 7.630 7.630 7.505 0.125 25816 1071 1 3 . 1 1 32 32 TYR N N 32 121.998 121.998 119.910 2.088 25816 1072 1 3 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.900 -0.097 25816 1073 1 3 . 1 1 32 32 TYR CA C 32 54.799 54.799 56.182 -1.383 25816 1074 1 3 . 1 1 32 32 TYR CB C 32 39.718 39.718 40.713 -0.995 25816 1075 1 3 . 1 1 32 32 TYR H H 32 9.359 9.359 7.369 1.990 25816 1076 1 3 . 1 1 33 33 THR N N 33 114.039 114.039 116.253 -2.214 25816 1077 1 3 . 1 1 33 33 THR HA H 33 4.390 4.390 4.263 0.127 25816 1078 1 3 . 1 1 33 33 THR CA C 33 59.896 59.896 62.026 -2.130 25816 1079 1 3 . 1 1 33 33 THR CB C 33 69.135 69.135 72.435 -3.300 25816 1080 1 3 . 1 1 33 33 THR H H 33 7.985 7.985 8.368 -0.383 25816 1081 1 3 . 1 1 34 34 GLY N N 34 113.445 113.445 109.324 4.121 25816 1082 1 3 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.529 -1.457 25816 1083 1 3 . 1 1 34 34 GLY H H 34 8.698 8.698 8.177 0.521 25816 1084 1 3 . 1 1 35 35 SER N N 35 113.837 113.837 116.201 -2.364 25816 1085 1 3 . 1 1 35 35 SER HA H 35 4.264 4.264 4.492 -0.228 25816 1086 1 3 . 1 1 35 35 SER CA C 35 57.651 57.651 59.505 -1.854 25816 1087 1 3 . 1 1 35 35 SER CB C 35 63.056 63.056 63.662 -0.606 25816 1088 1 3 . 1 1 35 35 SER H H 35 8.039 8.039 8.315 -0.276 25816 1089 1 3 . 1 1 36 36 ASN N N 36 119.749 119.749 119.120 0.629 25816 1090 1 3 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.900 -0.316 25816 1091 1 3 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.659 -0.878 25816 1092 1 3 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.092 -1.906 25816 1093 1 3 . 1 1 36 36 ASN H H 36 8.767 8.767 8.272 0.495 25816 1094 1 3 . 1 1 37 37 GLY N N 37 110.628 110.628 106.733 3.895 25816 1095 1 3 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.914 -0.329 25816 1096 1 3 . 1 1 37 37 GLY H H 37 8.496 8.496 8.016 0.480 25816 1097 1 3 . 1 1 38 38 GLY N N 38 108.654 108.654 107.657 0.997 25816 1098 1 3 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.747 -0.647 25816 1099 1 3 . 1 1 38 38 GLY H H 38 7.955 7.955 7.844 0.111 25816 1100 1 3 . 1 1 39 39 ALA N N 39 123.326 123.326 125.191 -1.865 25816 1101 1 3 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.332 -0.121 25816 1102 1 3 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.036 -1.198 25816 1103 1 3 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.193 -1.464 25816 1104 1 3 . 1 1 39 39 ALA H H 39 8.028 8.028 7.680 0.348 25816 1105 1 3 . 1 1 40 40 ASP N N 40 119.573 119.573 119.613 -0.040 25816 1106 1 3 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.583 -0.196 25816 1107 1 3 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.124 -0.130 25816 1108 1 3 . 1 1 40 40 ASP CB C 40 39.627 39.627 39.200 0.427 25816 1109 1 3 . 1 1 40 40 ASP H H 40 8.261 8.261 8.381 -0.120 25816 1110 1 3 . 1 1 41 41 LEU N N 41 123.899 123.899 118.081 5.818 25816 1111 1 3 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.637 -0.195 25816 1112 1 3 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.000 -1.779 25816 1113 1 3 . 1 1 41 41 LEU CB C 41 43.009 43.009 44.586 -1.577 25816 1114 1 3 . 1 1 41 41 LEU H H 41 8.663 8.663 7.919 0.744 25816 1115 1 3 . 1 1 42 42 MET N N 42 119.684 119.684 120.686 -1.002 25816 1116 1 3 . 1 1 42 42 MET HA H 42 4.730 4.730 4.362 0.368 25816 1117 1 3 . 1 1 42 42 MET CA C 42 54.695 54.695 57.157 -2.462 25816 1118 1 3 . 1 1 42 42 MET CB C 42 32.194 32.194 31.369 0.825 25816 1119 1 3 . 1 1 42 42 MET H H 42 8.553 8.553 8.605 -0.052 25816 1120 1 3 . 1 1 43 43 GLY N N 43 113.052 113.052 111.323 1.729 25816 1121 1 3 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.059 -2.681 25816 1122 1 3 . 1 1 43 43 GLY H H 43 8.618 8.618 8.379 0.239 25816 1123 1 3 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.632 0.088 25816 1124 1 3 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.072 -2.841 25816 1125 1 3 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.431 0.522 25816 1126 1 3 . 1 1 45 45 ALA N N 45 120.693 120.693 123.564 -2.871 25816 1127 1 3 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.185 -0.201 25816 1128 1 3 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.811 -1.007 25816 1129 1 3 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.056 -0.089 25816 1130 1 3 . 1 1 45 45 ALA H H 45 7.524 7.524 7.540 -0.016 25816 1131 1 3 . 1 1 46 46 PHE N N 46 122.306 122.306 119.197 3.109 25816 1132 1 3 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.220 -0.258 25816 1133 1 3 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.436 -0.110 25816 1134 1 3 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.819 -0.199 25816 1135 1 3 . 1 1 46 46 PHE H H 46 8.603 8.603 8.446 0.157 25816 1136 1 3 . 1 1 47 47 ALA N N 47 123.253 123.253 120.700 2.553 25816 1137 1 3 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.173 -0.085 25816 1138 1 3 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.100 -0.149 25816 1139 1 3 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.403 -0.756 25816 1140 1 3 . 1 1 47 47 ALA H H 47 9.199 9.199 7.742 1.457 25816 1141 1 3 . 1 1 48 48 ALA N N 48 117.571 117.571 119.762 -2.191 25816 1142 1 3 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.302 0.001 25816 1143 1 3 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.757 -0.070 25816 1144 1 3 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.904 -1.132 25816 1145 1 3 . 1 1 48 48 ALA H H 48 7.262 7.262 7.513 -0.251 25816 1146 1 3 . 1 1 49 49 GLY N N 49 103.229 103.229 106.356 -3.127 25816 1147 1 3 . 1 1 49 49 GLY CA C 49 43.619 43.619 45.009 -1.390 25816 1148 1 3 . 1 1 49 49 GLY H H 49 7.461 7.461 7.977 -0.516 25816 1149 1 3 . 1 1 50 50 LEU N N 50 120.470 120.470 121.374 -0.904 25816 1150 1 3 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.109 -0.591 25816 1151 1 3 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.525 -1.113 25816 1152 1 3 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.858 -0.903 25816 1153 1 3 . 1 1 50 50 LEU H H 50 7.224 7.224 7.434 -0.210 25816 1154 1 3 . 1 1 51 51 ARG N N 51 119.645 119.645 121.881 -2.236 25816 1155 1 3 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.772 -1.281 25816 1156 1 3 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.560 -0.744 25816 1157 1 3 . 1 1 51 51 ARG H H 51 8.678 8.678 8.314 0.364 25816 1158 1 3 . 1 1 52 52 VAL N N 52 119.995 119.995 117.672 2.323 25816 1159 1 3 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.960 -0.737 25816 1160 1 3 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.714 0.504 25816 1161 1 3 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.511 -1.362 25816 1162 1 3 . 1 1 52 52 VAL H H 52 8.482 8.482 8.241 0.241 25816 1163 1 3 . 1 1 53 53 GLY N N 53 117.052 117.052 114.266 2.786 25816 1164 1 3 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.885 -1.460 25816 1165 1 3 . 1 1 53 53 GLY H H 53 9.122 9.122 8.966 0.156 25816 1166 1 3 . 1 1 54 54 ASP N N 54 124.203 124.203 120.985 3.218 25816 1167 1 3 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.985 -0.152 25816 1168 1 3 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.552 1.182 25816 1169 1 3 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.977 -2.698 25816 1170 1 3 . 1 1 54 54 ASP H H 54 7.848 7.848 7.731 0.117 25816 1171 1 3 . 1 1 55 55 GLN N N 55 121.703 121.703 122.725 -1.022 25816 1172 1 3 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.562 0.305 25816 1173 1 3 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.653 -2.127 25816 1174 1 3 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.090 -1.058 25816 1175 1 3 . 1 1 55 55 GLN H H 55 9.158 9.158 8.446 0.712 25816 1176 1 3 . 1 1 56 56 LEU N N 56 124.733 124.733 126.376 -1.643 25816 1177 1 3 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.684 -0.497 25816 1178 1 3 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.115 1.080 25816 1179 1 3 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.093 -1.080 25816 1180 1 3 . 1 1 56 56 LEU H H 56 8.770 8.770 7.988 0.782 25816 1181 1 3 . 1 1 57 57 VAL N N 57 123.383 123.383 119.906 3.477 25816 1182 1 3 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.329 -0.021 25816 1183 1 3 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.133 1.010 25816 1184 1 3 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.994 -0.359 25816 1185 1 3 . 1 1 57 57 VAL H H 57 8.889 8.889 8.272 0.617 25816 1186 1 3 . 1 1 58 58 ARG N N 58 118.094 118.094 117.546 0.548 25816 1187 1 3 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.877 1.461 25816 1188 1 3 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.518 -3.306 25816 1189 1 3 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.422 5.191 25816 1190 1 3 . 1 1 58 58 ARG H H 58 8.531 8.531 7.744 0.787 25816 1191 1 3 . 1 1 59 59 PHE N N 59 123.332 123.332 115.951 7.381 25816 1192 1 3 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.665 0.270 25816 1193 1 3 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.595 0.261 25816 1194 1 3 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.974 0.997 25816 1195 1 3 . 1 1 59 59 PHE H H 59 9.295 9.295 7.676 1.619 25816 1196 1 3 . 1 1 60 60 ALA N N 60 127.537 127.537 126.296 1.241 25816 1197 1 3 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.092 -0.505 25816 1198 1 3 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.625 -1.251 25816 1199 1 3 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.491 -3.018 25816 1200 1 3 . 1 1 60 60 ALA H H 60 8.356 8.356 8.694 -0.338 25816 1201 1 3 . 1 1 61 61 GLY N N 61 103.058 103.058 105.186 -2.128 25816 1202 1 3 . 1 1 61 61 GLY CA C 61 43.787 43.787 43.985 -0.198 25816 1203 1 3 . 1 1 61 61 GLY H H 61 9.178 9.178 7.890 1.288 25816 1204 1 3 . 1 1 62 62 TYR N N 62 120.218 120.218 118.312 1.906 25816 1205 1 3 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.183 0.447 25816 1206 1 3 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.446 -1.869 25816 1207 1 3 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.520 3.372 25816 1208 1 3 . 1 1 62 62 TYR H H 62 7.888 7.888 7.176 0.712 25816 1209 1 3 . 1 1 63 63 THR N N 63 120.933 120.933 113.254 7.679 25816 1210 1 3 . 1 1 63 63 THR HA H 63 4.479 4.479 4.694 -0.215 25816 1211 1 3 . 1 1 63 63 THR CA C 63 62.851 62.851 61.159 1.692 25816 1212 1 3 . 1 1 63 63 THR CB C 63 67.848 67.848 70.575 -2.727 25816 1213 1 3 . 1 1 63 63 THR H H 63 9.108 9.108 7.914 1.194 25816 1214 1 3 . 1 1 64 64 VAL N N 64 121.039 121.039 123.114 -2.075 25816 1215 1 3 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.669 -0.070 25816 1216 1 3 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.773 -0.906 25816 1217 1 3 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.358 -2.354 25816 1218 1 3 . 1 1 64 64 VAL H H 64 7.782 7.782 8.562 -0.780 25816 1219 1 3 . 1 1 65 65 THR N N 65 114.373 114.373 117.766 -3.393 25816 1220 1 3 . 1 1 65 65 THR HA H 65 4.452 4.452 4.290 0.162 25816 1221 1 3 . 1 1 65 65 THR CA C 65 60.536 60.536 63.288 -2.752 25816 1222 1 3 . 1 1 65 65 THR CB C 65 69.037 69.037 69.359 -0.322 25816 1223 1 3 . 1 1 65 65 THR H H 65 9.053 9.053 8.363 0.690 25816 1224 1 3 . 1 1 66 66 GLU N N 66 115.766 115.766 119.314 -3.548 25816 1225 1 3 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.528 0.035 25816 1226 1 3 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.649 -2.262 25816 1227 1 3 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.877 0.688 25816 1228 1 3 . 1 1 66 66 GLU H H 66 7.345 7.345 7.795 -0.450 25816 1229 1 3 . 1 1 67 67 LEU N N 67 124.674 124.674 118.114 6.560 25816 1230 1 3 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.633 -0.699 25816 1231 1 3 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.994 -0.459 25816 1232 1 3 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.881 0.172 25816 1233 1 3 . 1 1 67 67 LEU H H 67 8.906 8.906 8.467 0.439 25816 1234 1 3 . 1 1 68 68 ALA N N 68 120.493 120.493 122.047 -1.554 25816 1235 1 3 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.072 0.064 25816 1236 1 3 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.108 -0.435 25816 1237 1 3 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.857 -1.336 25816 1238 1 3 . 1 1 68 68 ALA H H 68 9.022 9.022 8.590 0.432 25816 1239 1 3 . 1 1 69 69 ALA N N 69 119.695 119.695 121.419 -1.724 25816 1240 1 3 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.177 -0.015 25816 1241 1 3 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.852 -0.832 25816 1242 1 3 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.397 -0.734 25816 1243 1 3 . 1 1 69 69 ALA H H 69 7.258 7.258 7.667 -0.409 25816 1244 1 3 . 1 1 70 70 PHE N N 70 119.274 119.274 118.993 0.281 25816 1245 1 3 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.127 -0.168 25816 1246 1 3 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.354 -0.394 25816 1247 1 3 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.504 -1.072 25816 1248 1 3 . 1 1 70 70 PHE H H 70 7.769 7.769 7.917 -0.148 25816 1249 1 3 . 1 1 71 71 ASN N N 71 117.363 117.363 118.337 -0.974 25816 1250 1 3 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.692 -0.590 25816 1251 1 3 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.100 -1.403 25816 1252 1 3 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.884 -2.811 25816 1253 1 3 . 1 1 71 71 ASN H H 71 8.801 8.801 8.883 -0.082 25816 1254 1 3 . 1 1 72 72 THR N N 72 119.746 119.746 117.563 2.183 25816 1255 1 3 . 1 1 72 72 THR HA H 72 4.220 4.220 4.060 0.160 25816 1256 1 3 . 1 1 72 72 THR CA C 72 65.927 65.927 66.731 -0.804 25816 1257 1 3 . 1 1 72 72 THR CB C 72 67.600 67.600 68.481 -0.881 25816 1258 1 3 . 1 1 72 72 THR H H 72 8.109 8.109 8.136 -0.027 25816 1259 1 3 . 1 1 73 73 VAL N N 73 123.156 123.156 121.026 2.130 25816 1260 1 3 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.494 -0.039 25816 1261 1 3 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.579 -0.423 25816 1262 1 3 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.766 -0.430 25816 1263 1 3 . 1 1 73 73 VAL H H 73 7.744 7.744 7.901 -0.157 25816 1264 1 3 . 1 1 74 74 VAL N N 74 120.420 120.420 118.819 1.601 25816 1265 1 3 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.408 -0.042 25816 1266 1 3 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.706 -0.108 25816 1267 1 3 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.434 0.051 25816 1268 1 3 . 1 1 74 74 VAL H H 74 8.154 8.154 7.513 0.641 25816 1269 1 3 . 1 1 75 75 ALA N N 75 120.206 120.206 122.133 -1.927 25816 1270 1 3 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.100 -0.105 25816 1271 1 3 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.280 -1.281 25816 1272 1 3 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.609 -1.645 25816 1273 1 3 . 1 1 75 75 ALA H H 75 7.788 7.788 8.401 -0.613 25816 1274 1 3 . 1 1 76 76 ARG N N 76 114.701 114.701 116.088 -1.387 25816 1275 1 3 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.341 -0.256 25816 1276 1 3 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.434 -0.452 25816 1277 1 3 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.770 0.914 25816 1278 1 3 . 1 1 76 76 ARG H H 76 7.705 7.705 8.257 -0.552 25816 1279 1 3 . 1 1 77 77 HIS N N 77 112.695 112.695 117.501 -4.806 25816 1280 1 3 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.501 0.309 25816 1281 1 3 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.785 -0.624 25816 1282 1 3 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.657 0.376 25816 1283 1 3 . 1 1 77 77 HIS H H 77 8.123 8.123 7.953 0.170 25816 1284 1 3 . 1 1 78 78 VAL N N 78 119.219 119.219 118.435 0.784 25816 1285 1 3 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.649 0.244 25816 1286 1 3 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.053 0.512 25816 1287 1 3 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.819 -1.691 25816 1288 1 3 . 1 1 78 78 VAL H H 78 8.034 8.034 7.754 0.280 25816 1289 1 3 . 1 1 79 79 ARG N N 79 126.908 126.908 121.430 5.478 25816 1290 1 3 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.862 -3.501 25816 1291 1 3 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.593 -0.402 25816 1292 1 3 . 1 1 79 79 ARG H H 79 7.023 7.023 7.907 -0.884 25816 1293 1 3 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.343 -0.318 25816 1294 1 3 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.252 0.318 25816 1295 1 3 . 1 1 80 80 PRO CB C 80 31.212 31.212 30.885 0.327 25816 1296 1 3 . 1 1 81 81 SER N N 81 115.039 115.039 116.505 -1.466 25816 1297 1 3 . 1 1 81 81 SER HA H 81 4.047 4.047 4.077 -0.030 25816 1298 1 3 . 1 1 81 81 SER CA C 81 60.713 60.713 59.387 1.326 25816 1299 1 3 . 1 1 81 81 SER H H 81 8.210 8.210 8.302 -0.092 25816 1300 1 3 . 1 1 82 82 ALA N N 82 123.546 123.546 124.133 -0.587 25816 1301 1 3 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.629 -0.283 25816 1302 1 3 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.093 0.413 25816 1303 1 3 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.469 -2.374 25816 1304 1 3 . 1 1 82 82 ALA H H 82 7.770 7.770 7.485 0.285 25816 1305 1 3 . 1 1 83 83 SER N N 83 116.753 116.753 118.703 -1.950 25816 1306 1 3 . 1 1 83 83 SER HA H 83 5.129 5.129 5.427 -0.298 25816 1307 1 3 . 1 1 83 83 SER CA C 83 56.582 56.582 56.332 0.250 25816 1308 1 3 . 1 1 83 83 SER CB C 83 62.554 62.554 63.256 -0.702 25816 1309 1 3 . 1 1 83 83 SER H H 83 8.524 8.524 8.486 0.038 25816 1310 1 3 . 1 1 84 84 ILE N N 84 126.985 126.985 120.330 6.655 25816 1311 1 3 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.487 -2.701 25816 1312 1 3 . 1 1 84 84 ILE CB C 84 38.424 38.424 38.634 -0.210 25816 1313 1 3 . 1 1 84 84 ILE H H 84 9.599 9.599 8.064 1.535 25816 1314 1 3 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.470 0.475 25816 1315 1 3 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.811 -1.257 25816 1316 1 3 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.189 0.237 25816 1317 1 3 . 1 1 86 86 VAL N N 86 123.811 123.811 126.840 -3.029 25816 1318 1 3 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.350 0.499 25816 1319 1 3 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.913 -1.139 25816 1320 1 3 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.752 -0.108 25816 1321 1 3 . 1 1 86 86 VAL H H 86 9.033 9.033 7.936 1.097 25816 1322 1 3 . 1 1 87 87 VAL N N 87 127.839 127.839 127.128 0.711 25816 1323 1 3 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.193 0.779 25816 1324 1 3 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.430 -1.737 25816 1325 1 3 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.349 0.069 25816 1326 1 3 . 1 1 87 87 VAL H H 87 9.132 9.132 8.674 0.458 25816 1327 1 3 . 1 1 88 88 PHE N N 88 127.301 127.301 128.531 -1.230 25816 1328 1 3 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.631 -0.013 25816 1329 1 3 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.114 -0.903 25816 1330 1 3 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.190 -2.188 25816 1331 1 3 . 1 1 88 88 PHE H H 88 9.248 9.248 8.247 1.001 25816 1332 1 3 . 1 1 89 89 SER N N 89 113.734 113.734 116.491 -2.757 25816 1333 1 3 . 1 1 89 89 SER HA H 89 5.336 5.336 4.547 0.789 25816 1334 1 3 . 1 1 89 89 SER CA C 89 54.452 54.452 56.645 -2.193 25816 1335 1 3 . 1 1 89 89 SER CB C 89 64.474 64.474 66.317 -1.843 25816 1336 1 3 . 1 1 89 89 SER H H 89 9.689 9.689 7.998 1.691 25816 1337 1 3 . 1 1 90 90 ARG N N 90 128.114 128.114 124.215 3.899 25816 1338 1 3 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.512 0.235 25816 1339 1 3 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.104 -0.982 25816 1340 1 3 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.005 1.331 25816 1341 1 3 . 1 1 90 90 ARG H H 90 8.561 8.561 7.766 0.795 25816 1342 1 3 . 1 1 91 91 ASP N N 91 129.790 129.790 122.949 6.841 25816 1343 1 3 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.354 -0.085 25816 1344 1 3 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.127 -0.626 25816 1345 1 3 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.023 0.059 25816 1346 1 3 . 1 1 91 91 ASP H H 91 9.461 9.461 8.508 0.953 25816 1347 1 3 . 1 1 92 92 GLY N N 92 102.404 102.404 102.727 -0.323 25816 1348 1 3 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.084 -0.779 25816 1349 1 3 . 1 1 92 92 GLY H H 92 8.391 8.391 8.130 0.261 25816 1350 1 3 . 1 1 93 93 VAL N N 93 123.090 123.090 121.531 1.559 25816 1351 1 3 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.868 0.134 25816 1352 1 3 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.860 -1.594 25816 1353 1 3 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.586 -0.768 25816 1354 1 3 . 1 1 93 93 VAL H H 93 7.682 7.682 6.837 0.845 25816 1355 1 3 . 1 1 94 94 VAL N N 94 128.414 128.414 126.804 1.610 25816 1356 1 3 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.014 0.120 25816 1357 1 3 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.317 1.023 25816 1358 1 3 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.093 -1.977 25816 1359 1 3 . 1 1 94 94 VAL H H 94 8.400 8.400 8.094 0.306 25816 1360 1 3 . 1 1 95 95 MET N N 95 129.196 129.196 128.816 0.380 25816 1361 1 3 . 1 1 95 95 MET HA H 95 4.352 4.352 4.976 -0.624 25816 1362 1 3 . 1 1 95 95 MET CA C 95 53.674 53.674 54.266 -0.592 25816 1363 1 3 . 1 1 95 95 MET CB C 95 36.104 36.104 37.410 -1.306 25816 1364 1 3 . 1 1 95 95 MET H H 95 9.100 9.100 8.480 0.620 25816 1365 1 3 . 1 1 96 96 SER N N 96 111.540 111.540 116.757 -5.217 25816 1366 1 3 . 1 1 96 96 SER HA H 96 5.469 5.469 4.932 0.537 25816 1367 1 3 . 1 1 96 96 SER CA C 96 55.830 55.830 57.570 -1.740 25816 1368 1 3 . 1 1 96 96 SER CB C 96 65.471 65.471 64.747 0.724 25816 1369 1 3 . 1 1 96 96 SER H H 96 8.004 8.004 8.423 -0.419 25816 1370 1 3 . 1 1 97 97 ALA N N 97 124.079 124.079 128.222 -4.143 25816 1371 1 3 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.779 0.009 25816 1372 1 3 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.989 -1.590 25816 1373 1 3 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.061 0.483 25816 1374 1 3 . 1 1 97 97 ALA H H 97 9.145 9.145 8.214 0.931 25816 1375 1 3 . 1 1 98 98 THR N N 98 117.342 117.342 117.764 -0.422 25816 1376 1 3 . 1 1 98 98 THR HA H 98 4.823 4.823 4.739 0.084 25816 1377 1 3 . 1 1 98 98 THR CA C 98 61.053 61.053 61.550 -0.497 25816 1378 1 3 . 1 1 98 98 THR CB C 98 69.913 69.913 69.691 0.222 25816 1379 1 3 . 1 1 98 98 THR H H 98 8.754 8.754 8.316 0.438 25816 1380 1 3 . 1 1 99 99 ILE N N 99 125.689 125.689 128.368 -2.679 25816 1381 1 3 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.251 -0.140 25816 1382 1 3 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.846 -1.477 25816 1383 1 3 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.369 1.322 25816 1384 1 3 . 1 1 99 99 ILE H H 99 8.868 8.868 8.174 0.694 25816 1385 1 3 . 1 1 100 100 VAL N N 100 129.871 129.871 126.890 2.981 25816 1386 1 3 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.546 0.120 25816 1387 1 3 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.227 0.640 25816 1388 1 3 . 1 1 100 100 VAL CB C 100 29.610 29.610 30.283 -0.673 25816 1389 1 3 . 1 1 100 100 VAL H H 100 8.818 8.818 8.611 0.207 25816 1390 1 3 . 1 1 101 101 VAL N N 101 128.299 128.299 127.786 0.513 25816 1391 1 3 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.203 -0.834 25816 1392 1 3 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.420 1.907 25816 1393 1 3 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.764 -0.790 25816 1394 1 3 . 1 1 101 101 VAL H H 101 8.795 8.795 7.658 1.137 25816 1395 1 3 . 1 1 102 102 GLY N N 102 115.466 115.466 115.131 0.335 25816 1396 1 3 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.433 -0.753 25816 1397 1 3 . 1 1 102 102 GLY H H 102 8.393 8.393 8.434 -0.041 25816 1398 1 3 . 1 1 103 103 GLU N N 103 119.459 119.459 123.796 -4.337 25816 1399 1 3 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.512 0.443 25816 1400 1 3 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.188 -1.442 25816 1401 1 3 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.404 1.797 25816 1402 1 3 . 1 1 103 103 GLU H H 103 8.386 8.386 7.992 0.394 25816 1403 1 3 . 1 1 104 104 LEU N N 104 123.881 123.881 123.302 0.579 25816 1404 1 3 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.162 0.538 25816 1405 1 3 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.308 -2.741 25816 1406 1 3 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.933 3.125 25816 1407 1 3 . 1 1 104 104 LEU H H 104 8.735 8.735 8.126 0.609 25816 1408 1 4 . 1 1 2 2 LEU N N 2 122.611 122.611 119.402 3.209 25816 1409 1 4 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.576 -0.184 25816 1410 1 4 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.036 -0.704 25816 1411 1 4 . 1 1 2 2 LEU CB C 2 41.317 41.317 45.989 -4.672 25816 1412 1 4 . 1 1 2 2 LEU H H 2 8.535 8.535 8.382 0.153 25816 1413 1 4 . 1 1 3 3 THR N N 3 112.475 112.475 113.274 -0.799 25816 1414 1 4 . 1 1 3 3 THR HA H 3 4.777 4.777 4.531 0.246 25816 1415 1 4 . 1 1 3 3 THR CA C 3 59.259 59.259 60.140 -0.881 25816 1416 1 4 . 1 1 3 3 THR CB C 3 70.185 70.185 70.058 0.126 25816 1417 1 4 . 1 1 3 3 THR H H 3 7.903 7.903 8.081 -0.178 25816 1418 1 4 . 1 1 4 4 ARG N N 4 120.183 120.183 123.671 -3.488 25816 1419 1 4 . 1 1 4 4 ARG H H 4 8.809 8.809 8.511 0.298 25816 1420 1 4 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.354 0.018 25816 1421 1 4 . 1 1 5 5 PRO CA C 5 65.017 65.017 64.706 0.312 25816 1422 1 4 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.243 -0.655 25816 1423 1 4 . 1 1 6 6 TYR N N 6 120.727 120.727 118.592 2.135 25816 1424 1 4 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.623 0.011 25816 1425 1 4 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.079 -1.003 25816 1426 1 4 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.159 -0.105 25816 1427 1 4 . 1 1 6 6 TYR H H 6 7.530 7.530 7.602 -0.072 25816 1428 1 4 . 1 1 7 7 LEU N N 7 126.575 126.575 121.476 5.099 25816 1429 1 4 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.267 0.140 25816 1430 1 4 . 1 1 7 7 LEU H H 7 8.500 8.500 7.896 0.604 25816 1431 1 4 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.870 0.837 25816 1432 1 4 . 1 1 9 9 PHE N N 9 114.612 114.612 115.390 -0.778 25816 1433 1 4 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.076 0.282 25816 1434 1 4 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.877 -0.615 25816 1435 1 4 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.894 -1.440 25816 1436 1 4 . 1 1 9 9 PHE H H 9 7.102 7.102 7.571 -0.469 25816 1437 1 4 . 1 1 10 10 ARG N N 10 117.800 117.800 119.912 -2.112 25816 1438 1 4 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.570 0.101 25816 1439 1 4 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.596 -1.196 25816 1440 1 4 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.363 0.452 25816 1441 1 4 . 1 1 10 10 ARG H H 10 8.206 8.206 8.526 -0.320 25816 1442 1 4 . 1 1 11 11 VAL N N 11 117.216 117.216 115.564 1.652 25816 1443 1 4 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.988 0.179 25816 1444 1 4 . 1 1 11 11 VAL CA C 11 58.190 58.190 61.053 -2.863 25816 1445 1 4 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.923 -1.048 25816 1446 1 4 . 1 1 11 11 VAL H H 11 8.601 8.601 8.207 0.394 25816 1447 1 4 . 1 1 12 12 ALA N N 12 123.025 123.025 130.549 -7.524 25816 1448 1 4 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.772 -0.192 25816 1449 1 4 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.894 -1.351 25816 1450 1 4 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.323 1.459 25816 1451 1 4 . 1 1 12 12 ALA H H 12 8.861 8.861 8.057 0.804 25816 1452 1 4 . 1 1 13 13 VAL N N 13 121.395 121.395 124.177 -2.782 25816 1453 1 4 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.107 0.444 25816 1454 1 4 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.505 -0.222 25816 1455 1 4 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.152 -0.458 25816 1456 1 4 . 1 1 13 13 VAL H H 13 8.585 8.585 8.617 -0.032 25816 1457 1 4 . 1 1 14 14 GLY N N 14 117.546 117.546 117.215 0.331 25816 1458 1 4 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.291 -1.907 25816 1459 1 4 . 1 1 14 14 GLY H H 14 8.789 8.789 8.078 0.711 25816 1460 1 4 . 1 1 15 15 ARG N N 15 120.075 120.075 120.456 -0.381 25816 1461 1 4 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.718 0.392 25816 1462 1 4 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.878 -0.985 25816 1463 1 4 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.654 0.102 25816 1464 1 4 . 1 1 15 15 ARG H H 15 8.299 8.299 8.391 -0.092 25816 1465 1 4 . 1 1 16 16 ASP N N 16 123.872 123.872 121.191 2.681 25816 1466 1 4 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.718 0.027 25816 1467 1 4 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.131 -1.760 25816 1468 1 4 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.526 -0.774 25816 1469 1 4 . 1 1 16 16 ASP H H 16 8.619 8.619 8.397 0.222 25816 1470 1 4 . 1 1 17 17 SER N N 17 114.309 114.309 114.234 0.075 25816 1471 1 4 . 1 1 17 17 SER HA H 17 4.196 4.196 4.299 -0.103 25816 1472 1 4 . 1 1 17 17 SER CA C 17 59.950 59.950 60.259 -0.309 25816 1473 1 4 . 1 1 17 17 SER CB C 17 61.825 61.825 63.379 -1.554 25816 1474 1 4 . 1 1 17 17 SER H H 17 8.624 8.624 8.419 0.205 25816 1475 1 4 . 1 1 18 18 SER N N 18 117.903 117.903 116.454 1.449 25816 1476 1 4 . 1 1 18 18 SER HA H 18 4.597 4.597 4.425 0.172 25816 1477 1 4 . 1 1 18 18 SER CA C 18 57.732 57.732 59.147 -1.415 25816 1478 1 4 . 1 1 18 18 SER CB C 18 63.470 63.470 64.633 -1.163 25816 1479 1 4 . 1 1 18 18 SER H H 18 8.385 8.385 7.839 0.546 25816 1480 1 4 . 1 1 19 19 GLY N N 19 109.883 109.883 111.607 -1.724 25816 1481 1 4 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.682 -0.511 25816 1482 1 4 . 1 1 19 19 GLY H H 19 8.214 8.214 8.835 -0.621 25816 1483 1 4 . 1 1 20 20 CYS N N 20 122.167 122.167 118.655 3.512 25816 1484 1 4 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.686 -0.198 25816 1485 1 4 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.556 0.481 25816 1486 1 4 . 1 1 20 20 CYS CB C 20 26.685 26.685 30.623 -3.938 25816 1487 1 4 . 1 1 20 20 CYS H H 20 8.286 8.286 8.280 0.006 25816 1488 1 4 . 1 1 21 21 THR N N 21 119.387 119.387 116.683 2.704 25816 1489 1 4 . 1 1 21 21 THR HA H 21 4.764 4.764 4.068 0.696 25816 1490 1 4 . 1 1 21 21 THR CA C 21 61.953 61.953 63.863 -1.910 25816 1491 1 4 . 1 1 21 21 THR CB C 21 68.795 68.795 66.914 1.881 25816 1492 1 4 . 1 1 21 21 THR H H 21 8.626 8.626 7.865 0.761 25816 1493 1 4 . 1 1 22 22 THR N N 22 116.611 116.611 115.954 0.657 25816 1494 1 4 . 1 1 22 22 THR HA H 22 4.513 4.513 4.736 -0.223 25816 1495 1 4 . 1 1 22 22 THR CA C 22 58.918 58.918 59.742 -0.824 25816 1496 1 4 . 1 1 22 22 THR CB C 22 71.128 71.128 70.722 0.407 25816 1497 1 4 . 1 1 22 22 THR H H 22 8.343 8.343 7.779 0.564 25816 1498 1 4 . 1 1 23 23 LEU N N 23 122.893 122.893 123.909 -1.016 25816 1499 1 4 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.039 -0.107 25816 1500 1 4 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.794 -1.307 25816 1501 1 4 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.773 -2.508 25816 1502 1 4 . 1 1 23 23 LEU H H 23 9.157 9.157 8.617 0.540 25816 1503 1 4 . 1 1 24 24 SER N N 24 116.771 116.771 116.505 0.266 25816 1504 1 4 . 1 1 24 24 SER HA H 24 5.173 5.173 4.895 0.278 25816 1505 1 4 . 1 1 24 24 SER CA C 24 55.247 55.247 57.103 -1.857 25816 1506 1 4 . 1 1 24 24 SER CB C 24 64.841 64.841 64.634 0.207 25816 1507 1 4 . 1 1 24 24 SER H H 24 8.656 8.656 8.126 0.530 25816 1508 1 4 . 1 1 25 25 ILE N N 25 122.747 122.747 125.310 -2.563 25816 1509 1 4 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.516 -0.485 25816 1510 1 4 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.267 2.003 25816 1511 1 4 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.161 -1.512 25816 1512 1 4 . 1 1 25 25 ILE H H 25 9.023 9.023 8.940 0.083 25816 1513 1 4 . 1 1 26 26 GLN N N 26 129.779 129.779 126.889 2.890 25816 1514 1 4 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.485 -0.056 25816 1515 1 4 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.851 -2.264 25816 1516 1 4 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.334 0.942 25816 1517 1 4 . 1 1 26 26 GLN H H 26 9.093 9.093 8.567 0.526 25816 1518 1 4 . 1 1 27 27 GLU N N 27 118.722 118.722 117.808 0.914 25816 1519 1 4 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.770 0.194 25816 1520 1 4 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.810 -0.788 25816 1521 1 4 . 1 1 27 27 GLU H H 27 7.479 7.479 7.838 -0.359 25816 1522 1 4 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.367 0.076 25816 1523 1 4 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.600 -0.445 25816 1524 1 4 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.425 2.255 25816 1525 1 4 . 1 1 29 29 THR N N 29 124.459 124.459 117.221 7.238 25816 1526 1 4 . 1 1 29 29 THR HA H 29 4.183 4.183 4.187 -0.004 25816 1527 1 4 . 1 1 29 29 THR CA C 29 62.474 62.474 64.548 -2.074 25816 1528 1 4 . 1 1 29 29 THR CB C 29 68.811 68.811 68.639 0.172 25816 1529 1 4 . 1 1 29 29 THR H H 29 8.009 8.009 8.199 -0.190 25816 1530 1 4 . 1 1 30 30 GLN N N 30 130.053 130.053 118.158 11.895 25816 1531 1 4 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.286 -0.764 25816 1532 1 4 . 1 1 30 30 GLN CA C 30 58.886 58.886 58.195 0.691 25816 1533 1 4 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.655 -1.350 25816 1534 1 4 . 1 1 30 30 GLN H H 30 9.321 9.321 8.531 0.790 25816 1535 1 4 . 1 1 31 31 THR N N 31 111.234 111.234 111.810 -0.576 25816 1536 1 4 . 1 1 31 31 THR HA H 31 5.509 5.509 4.136 1.373 25816 1537 1 4 . 1 1 31 31 THR CA C 31 58.798 58.798 62.360 -3.562 25816 1538 1 4 . 1 1 31 31 THR CB C 31 71.374 71.374 67.462 3.912 25816 1539 1 4 . 1 1 31 31 THR H H 31 7.630 7.630 7.565 0.065 25816 1540 1 4 . 1 1 32 32 TYR N N 32 121.998 121.998 126.395 -4.397 25816 1541 1 4 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.695 0.108 25816 1542 1 4 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.816 -3.017 25816 1543 1 4 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.191 -2.473 25816 1544 1 4 . 1 1 32 32 TYR H H 32 9.359 9.359 8.453 0.906 25816 1545 1 4 . 1 1 33 33 THR N N 33 114.039 114.039 113.548 0.491 25816 1546 1 4 . 1 1 33 33 THR HA H 33 4.390 4.390 4.662 -0.273 25816 1547 1 4 . 1 1 33 33 THR CA C 33 59.896 59.896 60.842 -0.946 25816 1548 1 4 . 1 1 33 33 THR CB C 33 69.135 69.135 71.495 -2.360 25816 1549 1 4 . 1 1 33 33 THR H H 33 7.985 7.985 9.194 -1.209 25816 1550 1 4 . 1 1 34 34 GLY N N 34 113.445 113.445 106.939 6.506 25816 1551 1 4 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.693 -1.621 25816 1552 1 4 . 1 1 34 34 GLY H H 34 8.698 8.698 7.950 0.748 25816 1553 1 4 . 1 1 35 35 SER N N 35 113.837 113.837 114.185 -0.348 25816 1554 1 4 . 1 1 35 35 SER HA H 35 4.264 4.264 4.128 0.136 25816 1555 1 4 . 1 1 35 35 SER CA C 35 57.651 57.651 60.821 -3.170 25816 1556 1 4 . 1 1 35 35 SER CB C 35 63.056 63.056 63.218 -0.162 25816 1557 1 4 . 1 1 35 35 SER H H 35 8.039 8.039 8.533 -0.494 25816 1558 1 4 . 1 1 36 36 ASN N N 36 119.749 119.749 119.993 -0.244 25816 1559 1 4 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.865 -0.281 25816 1560 1 4 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.003 -1.222 25816 1561 1 4 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.066 -1.880 25816 1562 1 4 . 1 1 36 36 ASN H H 36 8.767 8.767 8.309 0.458 25816 1563 1 4 . 1 1 37 37 GLY N N 37 110.628 110.628 106.411 4.217 25816 1564 1 4 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.207 -0.622 25816 1565 1 4 . 1 1 37 37 GLY H H 37 8.496 8.496 7.765 0.731 25816 1566 1 4 . 1 1 38 38 GLY N N 38 108.654 108.654 106.029 2.625 25816 1567 1 4 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.434 -1.334 25816 1568 1 4 . 1 1 38 38 GLY H H 38 7.955 7.955 7.911 0.044 25816 1569 1 4 . 1 1 39 39 ALA N N 39 123.326 123.326 122.852 0.474 25816 1570 1 4 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.011 0.200 25816 1571 1 4 . 1 1 39 39 ALA CA C 39 50.838 50.838 53.039 -2.201 25816 1572 1 4 . 1 1 39 39 ALA CB C 39 18.729 18.729 17.245 1.484 25816 1573 1 4 . 1 1 39 39 ALA H H 39 8.028 8.028 7.894 0.134 25816 1574 1 4 . 1 1 40 40 ASP N N 40 119.573 119.573 115.429 4.144 25816 1575 1 4 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.209 0.178 25816 1576 1 4 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.076 -1.082 25816 1577 1 4 . 1 1 40 40 ASP CB C 40 39.627 39.627 39.622 0.005 25816 1578 1 4 . 1 1 40 40 ASP H H 40 8.261 8.261 8.242 0.019 25816 1579 1 4 . 1 1 41 41 LEU N N 41 123.899 123.899 122.409 1.490 25816 1580 1 4 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.440 0.002 25816 1581 1 4 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.248 -2.027 25816 1582 1 4 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.319 -2.310 25816 1583 1 4 . 1 1 41 41 LEU H H 41 8.663 8.663 8.235 0.428 25816 1584 1 4 . 1 1 42 42 MET N N 42 119.684 119.684 123.952 -4.268 25816 1585 1 4 . 1 1 42 42 MET HA H 42 4.730 4.730 4.382 0.348 25816 1586 1 4 . 1 1 42 42 MET CA C 42 54.695 54.695 57.222 -2.527 25816 1587 1 4 . 1 1 42 42 MET CB C 42 32.194 32.194 32.546 -0.352 25816 1588 1 4 . 1 1 42 42 MET H H 42 8.553 8.553 8.501 0.052 25816 1589 1 4 . 1 1 43 43 GLY N N 43 113.052 113.052 111.011 2.041 25816 1590 1 4 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.110 -2.732 25816 1591 1 4 . 1 1 43 43 GLY H H 43 8.618 8.618 8.403 0.215 25816 1592 1 4 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.563 0.157 25816 1593 1 4 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.046 -2.815 25816 1594 1 4 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.609 0.344 25816 1595 1 4 . 1 1 45 45 ALA N N 45 120.693 120.693 122.997 -2.304 25816 1596 1 4 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.184 -0.200 25816 1597 1 4 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.378 -0.574 25816 1598 1 4 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.617 -0.650 25816 1599 1 4 . 1 1 45 45 ALA H H 45 7.524 7.524 7.848 -0.324 25816 1600 1 4 . 1 1 46 46 PHE N N 46 122.306 122.306 120.206 2.100 25816 1601 1 4 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.122 -0.160 25816 1602 1 4 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.538 -0.212 25816 1603 1 4 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.161 -0.541 25816 1604 1 4 . 1 1 46 46 PHE H H 46 8.603 8.603 8.317 0.286 25816 1605 1 4 . 1 1 47 47 ALA N N 47 123.253 123.253 121.168 2.085 25816 1606 1 4 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.254 -0.166 25816 1607 1 4 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.010 -0.059 25816 1608 1 4 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.487 -0.840 25816 1609 1 4 . 1 1 47 47 ALA H H 47 9.199 9.199 7.686 1.513 25816 1610 1 4 . 1 1 48 48 ALA N N 48 117.571 117.571 119.049 -1.478 25816 1611 1 4 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.401 -0.098 25816 1612 1 4 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.826 -0.139 25816 1613 1 4 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.253 -1.481 25816 1614 1 4 . 1 1 48 48 ALA H H 48 7.262 7.262 7.497 -0.235 25816 1615 1 4 . 1 1 49 49 GLY N N 49 103.229 103.229 107.697 -4.468 25816 1616 1 4 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.831 -1.212 25816 1617 1 4 . 1 1 49 49 GLY H H 49 7.461 7.461 7.911 -0.450 25816 1618 1 4 . 1 1 50 50 LEU N N 50 120.470 120.470 122.083 -1.613 25816 1619 1 4 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.155 -0.637 25816 1620 1 4 . 1 1 50 50 LEU CA C 50 54.412 54.412 56.073 -1.661 25816 1621 1 4 . 1 1 50 50 LEU CB C 50 40.955 40.955 42.122 -1.167 25816 1622 1 4 . 1 1 50 50 LEU H H 50 7.224 7.224 7.647 -0.423 25816 1623 1 4 . 1 1 51 51 ARG N N 51 119.645 119.645 123.575 -3.930 25816 1624 1 4 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.855 -1.364 25816 1625 1 4 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.763 -0.947 25816 1626 1 4 . 1 1 51 51 ARG H H 51 8.678 8.678 8.100 0.578 25816 1627 1 4 . 1 1 52 52 VAL N N 52 119.995 119.995 118.004 1.991 25816 1628 1 4 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.908 -0.685 25816 1629 1 4 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.927 0.291 25816 1630 1 4 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.410 -1.261 25816 1631 1 4 . 1 1 52 52 VAL H H 52 8.482 8.482 8.263 0.219 25816 1632 1 4 . 1 1 53 53 GLY N N 53 117.052 117.052 114.208 2.844 25816 1633 1 4 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.921 -1.496 25816 1634 1 4 . 1 1 53 53 GLY H H 53 9.122 9.122 8.941 0.181 25816 1635 1 4 . 1 1 54 54 ASP N N 54 124.203 124.203 121.161 3.042 25816 1636 1 4 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.981 -0.148 25816 1637 1 4 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.808 0.926 25816 1638 1 4 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.224 -1.945 25816 1639 1 4 . 1 1 54 54 ASP H H 54 7.848 7.848 7.819 0.029 25816 1640 1 4 . 1 1 55 55 GLN N N 55 121.703 121.703 122.195 -0.492 25816 1641 1 4 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.770 0.097 25816 1642 1 4 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.788 -2.261 25816 1643 1 4 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.675 -0.643 25816 1644 1 4 . 1 1 55 55 GLN H H 55 9.158 9.158 8.311 0.847 25816 1645 1 4 . 1 1 56 56 LEU N N 56 124.733 124.733 126.471 -1.738 25816 1646 1 4 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.717 -0.530 25816 1647 1 4 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.568 1.627 25816 1648 1 4 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.177 0.836 25816 1649 1 4 . 1 1 56 56 LEU H H 56 8.770 8.770 8.352 0.418 25816 1650 1 4 . 1 1 57 57 VAL N N 57 123.383 123.383 120.575 2.808 25816 1651 1 4 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.796 -0.488 25816 1652 1 4 . 1 1 57 57 VAL CA C 57 63.143 63.143 59.589 3.554 25816 1653 1 4 . 1 1 57 57 VAL CB C 57 32.635 32.635 34.484 -1.849 25816 1654 1 4 . 1 1 57 57 VAL H H 57 8.889 8.889 8.021 0.868 25816 1655 1 4 . 1 1 58 58 ARG N N 58 118.094 118.094 119.321 -1.227 25816 1656 1 4 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.475 0.863 25816 1657 1 4 . 1 1 58 58 ARG CA C 58 54.212 54.212 56.217 -2.005 25816 1658 1 4 . 1 1 58 58 ARG CB C 58 34.613 34.613 33.050 1.563 25816 1659 1 4 . 1 1 58 58 ARG H H 58 8.531 8.531 8.236 0.295 25816 1660 1 4 . 1 1 59 59 PHE N N 59 123.332 123.332 118.690 4.642 25816 1661 1 4 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.757 0.178 25816 1662 1 4 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.820 1.036 25816 1663 1 4 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.101 2.870 25816 1664 1 4 . 1 1 59 59 PHE H H 59 9.295 9.295 7.533 1.762 25816 1665 1 4 . 1 1 60 60 ALA N N 60 127.537 127.537 125.348 2.189 25816 1666 1 4 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.136 -0.549 25816 1667 1 4 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.608 -1.234 25816 1668 1 4 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.715 -3.242 25816 1669 1 4 . 1 1 60 60 ALA H H 60 8.356 8.356 8.765 -0.409 25816 1670 1 4 . 1 1 61 61 GLY N N 61 103.058 103.058 105.891 -2.833 25816 1671 1 4 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.192 -0.405 25816 1672 1 4 . 1 1 61 61 GLY H H 61 9.178 9.178 8.058 1.120 25816 1673 1 4 . 1 1 62 62 TYR N N 62 120.218 120.218 116.560 3.658 25816 1674 1 4 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.209 0.421 25816 1675 1 4 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.808 -1.231 25816 1676 1 4 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.435 3.457 25816 1677 1 4 . 1 1 62 62 TYR H H 62 7.888 7.888 7.425 0.463 25816 1678 1 4 . 1 1 63 63 THR N N 63 120.933 120.933 113.099 7.834 25816 1679 1 4 . 1 1 63 63 THR HA H 63 4.479 4.479 4.767 -0.288 25816 1680 1 4 . 1 1 63 63 THR CA C 63 62.851 62.851 61.664 1.187 25816 1681 1 4 . 1 1 63 63 THR CB C 63 67.848 67.848 70.636 -2.788 25816 1682 1 4 . 1 1 63 63 THR H H 63 9.108 9.108 8.267 0.841 25816 1683 1 4 . 1 1 64 64 VAL N N 64 121.039 121.039 122.790 -1.751 25816 1684 1 4 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.590 0.009 25816 1685 1 4 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.848 -0.981 25816 1686 1 4 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.925 -2.921 25816 1687 1 4 . 1 1 64 64 VAL H H 64 7.782 7.782 8.594 -0.812 25816 1688 1 4 . 1 1 65 65 THR N N 65 114.373 114.373 117.247 -2.874 25816 1689 1 4 . 1 1 65 65 THR HA H 65 4.452 4.452 4.415 0.037 25816 1690 1 4 . 1 1 65 65 THR CA C 65 60.536 60.536 63.054 -2.518 25816 1691 1 4 . 1 1 65 65 THR CB C 65 69.037 69.037 69.245 -0.208 25816 1692 1 4 . 1 1 65 65 THR H H 65 9.053 9.053 8.432 0.621 25816 1693 1 4 . 1 1 66 66 GLU N N 66 115.766 115.766 118.896 -3.130 25816 1694 1 4 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.475 0.088 25816 1695 1 4 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.574 -2.187 25816 1696 1 4 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.360 0.205 25816 1697 1 4 . 1 1 66 66 GLU H H 66 7.345 7.345 7.825 -0.480 25816 1698 1 4 . 1 1 67 67 LEU N N 67 124.674 124.674 117.939 6.735 25816 1699 1 4 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.497 -0.563 25816 1700 1 4 . 1 1 67 67 LEU CA C 67 57.535 57.535 58.058 -0.523 25816 1701 1 4 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.739 0.314 25816 1702 1 4 . 1 1 67 67 LEU H H 67 8.906 8.906 8.373 0.533 25816 1703 1 4 . 1 1 68 68 ALA N N 68 120.493 120.493 121.663 -1.170 25816 1704 1 4 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.048 0.088 25816 1705 1 4 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.054 -0.380 25816 1706 1 4 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.580 -1.059 25816 1707 1 4 . 1 1 68 68 ALA H H 68 9.022 9.022 8.584 0.438 25816 1708 1 4 . 1 1 69 69 ALA N N 69 119.695 119.695 121.750 -2.055 25816 1709 1 4 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.193 -0.031 25816 1710 1 4 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.590 -0.570 25816 1711 1 4 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.557 -0.894 25816 1712 1 4 . 1 1 69 69 ALA H H 69 7.258 7.258 7.530 -0.272 25816 1713 1 4 . 1 1 70 70 PHE N N 70 119.274 119.274 119.720 -0.446 25816 1714 1 4 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.108 -0.149 25816 1715 1 4 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.551 -0.591 25816 1716 1 4 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.411 -0.979 25816 1717 1 4 . 1 1 70 70 PHE H H 70 7.769 7.769 7.682 0.087 25816 1718 1 4 . 1 1 71 71 ASN N N 71 117.363 117.363 117.786 -0.423 25816 1719 1 4 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.523 -0.421 25816 1720 1 4 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.211 -1.514 25816 1721 1 4 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.554 -2.482 25816 1722 1 4 . 1 1 71 71 ASN H H 71 8.801 8.801 8.903 -0.102 25816 1723 1 4 . 1 1 72 72 THR N N 72 119.746 119.746 114.280 5.466 25816 1724 1 4 . 1 1 72 72 THR HA H 72 4.220 4.220 3.995 0.225 25816 1725 1 4 . 1 1 72 72 THR CA C 72 65.927 65.927 66.477 -0.550 25816 1726 1 4 . 1 1 72 72 THR CB C 72 67.600 67.600 68.792 -1.192 25816 1727 1 4 . 1 1 72 72 THR H H 72 8.109 8.109 7.944 0.165 25816 1728 1 4 . 1 1 73 73 VAL N N 73 123.156 123.156 122.726 0.430 25816 1729 1 4 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.211 0.244 25816 1730 1 4 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.431 -0.275 25816 1731 1 4 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.389 -1.053 25816 1732 1 4 . 1 1 73 73 VAL H H 73 7.744 7.744 7.955 -0.211 25816 1733 1 4 . 1 1 74 74 VAL N N 74 120.420 120.420 118.938 1.482 25816 1734 1 4 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.534 -0.168 25816 1735 1 4 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.780 0.818 25816 1736 1 4 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.046 -0.561 25816 1737 1 4 . 1 1 74 74 VAL H H 74 8.154 8.154 7.715 0.439 25816 1738 1 4 . 1 1 75 75 ALA N N 75 120.206 120.206 120.225 -0.019 25816 1739 1 4 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.969 0.026 25816 1740 1 4 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.480 -0.481 25816 1741 1 4 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.802 -1.838 25816 1742 1 4 . 1 1 75 75 ALA H H 75 7.788 7.788 7.704 0.084 25816 1743 1 4 . 1 1 76 76 ARG N N 76 114.701 114.701 116.719 -2.018 25816 1744 1 4 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.002 0.083 25816 1745 1 4 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.455 -0.472 25816 1746 1 4 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.026 0.658 25816 1747 1 4 . 1 1 76 76 ARG H H 76 7.705 7.705 8.096 -0.391 25816 1748 1 4 . 1 1 77 77 HIS N N 77 112.695 112.695 119.175 -6.480 25816 1749 1 4 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.713 0.097 25816 1750 1 4 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.427 1.734 25816 1751 1 4 . 1 1 77 77 HIS CB C 77 31.033 31.033 28.943 2.090 25816 1752 1 4 . 1 1 77 77 HIS H H 77 8.123 8.123 7.637 0.486 25816 1753 1 4 . 1 1 78 78 VAL N N 78 119.219 119.219 117.104 2.115 25816 1754 1 4 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.254 -0.361 25816 1755 1 4 . 1 1 78 78 VAL CA C 78 63.565 63.565 60.351 3.214 25816 1756 1 4 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.286 -2.158 25816 1757 1 4 . 1 1 78 78 VAL H H 78 8.034 8.034 7.526 0.508 25816 1758 1 4 . 1 1 79 79 ARG N N 79 126.908 126.908 122.327 4.581 25816 1759 1 4 . 1 1 79 79 ARG CA C 79 51.361 51.361 55.096 -3.735 25816 1760 1 4 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.444 -0.253 25816 1761 1 4 . 1 1 79 79 ARG H H 79 7.023 7.023 7.772 -0.749 25816 1762 1 4 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.469 -0.444 25816 1763 1 4 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.243 -0.673 25816 1764 1 4 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.017 -0.805 25816 1765 1 4 . 1 1 81 81 SER N N 81 115.039 115.039 111.995 3.044 25816 1766 1 4 . 1 1 81 81 SER HA H 81 4.047 4.047 4.405 -0.358 25816 1767 1 4 . 1 1 81 81 SER CA C 81 60.713 60.713 57.978 2.735 25816 1768 1 4 . 1 1 81 81 SER H H 81 8.210 8.210 7.674 0.536 25816 1769 1 4 . 1 1 82 82 ALA N N 82 123.546 123.546 124.044 -0.498 25816 1770 1 4 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.560 -0.214 25816 1771 1 4 . 1 1 82 82 ALA CA C 82 51.506 51.506 52.017 -0.511 25816 1772 1 4 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.844 -0.749 25816 1773 1 4 . 1 1 82 82 ALA H H 82 7.770 7.770 7.440 0.330 25816 1774 1 4 . 1 1 83 83 SER N N 83 116.753 116.753 117.466 -0.713 25816 1775 1 4 . 1 1 83 83 SER HA H 83 5.129 5.129 5.114 0.015 25816 1776 1 4 . 1 1 83 83 SER CA C 83 56.582 56.582 57.673 -1.091 25816 1777 1 4 . 1 1 83 83 SER CB C 83 62.554 62.554 63.764 -1.210 25816 1778 1 4 . 1 1 83 83 SER H H 83 8.524 8.524 8.450 0.074 25816 1779 1 4 . 1 1 84 84 ILE N N 84 126.985 126.985 126.759 0.226 25816 1780 1 4 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.231 -2.445 25816 1781 1 4 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.863 -2.439 25816 1782 1 4 . 1 1 84 84 ILE H H 84 9.599 9.599 8.021 1.578 25816 1783 1 4 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.527 0.418 25816 1784 1 4 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.567 -1.013 25816 1785 1 4 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.239 0.188 25816 1786 1 4 . 1 1 86 86 VAL N N 86 123.811 123.811 125.634 -1.823 25816 1787 1 4 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.377 0.472 25816 1788 1 4 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.316 -1.542 25816 1789 1 4 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.982 -0.338 25816 1790 1 4 . 1 1 86 86 VAL H H 86 9.033 9.033 7.899 1.134 25816 1791 1 4 . 1 1 87 87 VAL N N 87 127.839 127.839 126.986 0.853 25816 1792 1 4 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.229 0.743 25816 1793 1 4 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.406 -1.713 25816 1794 1 4 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.772 -0.354 25816 1795 1 4 . 1 1 87 87 VAL H H 87 9.132 9.132 8.675 0.457 25816 1796 1 4 . 1 1 88 88 PHE N N 88 127.301 127.301 128.323 -1.022 25816 1797 1 4 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.580 0.038 25816 1798 1 4 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.066 -0.855 25816 1799 1 4 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.402 -1.400 25816 1800 1 4 . 1 1 88 88 PHE H H 88 9.248 9.248 8.122 1.126 25816 1801 1 4 . 1 1 89 89 SER N N 89 113.734 113.734 117.957 -4.223 25816 1802 1 4 . 1 1 89 89 SER HA H 89 5.336 5.336 4.695 0.641 25816 1803 1 4 . 1 1 89 89 SER CA C 89 54.452 54.452 56.345 -1.893 25816 1804 1 4 . 1 1 89 89 SER CB C 89 64.474 64.474 65.867 -1.393 25816 1805 1 4 . 1 1 89 89 SER H H 89 9.689 9.689 8.097 1.592 25816 1806 1 4 . 1 1 90 90 ARG N N 90 128.114 128.114 124.024 4.090 25816 1807 1 4 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.626 0.121 25816 1808 1 4 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.506 -1.384 25816 1809 1 4 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.537 0.799 25816 1810 1 4 . 1 1 90 90 ARG H H 90 8.561 8.561 7.731 0.830 25816 1811 1 4 . 1 1 91 91 ASP N N 91 129.790 129.790 124.061 5.729 25816 1812 1 4 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.384 -0.115 25816 1813 1 4 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.801 -0.300 25816 1814 1 4 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.357 -0.276 25816 1815 1 4 . 1 1 91 91 ASP H H 91 9.461 9.461 8.737 0.724 25816 1816 1 4 . 1 1 92 92 GLY N N 92 102.404 102.404 102.211 0.193 25816 1817 1 4 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.753 -0.448 25816 1818 1 4 . 1 1 92 92 GLY H H 92 8.391 8.391 8.447 -0.056 25816 1819 1 4 . 1 1 93 93 VAL N N 93 123.090 123.090 121.927 1.163 25816 1820 1 4 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.756 0.246 25816 1821 1 4 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.052 -1.786 25816 1822 1 4 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.328 -0.509 25816 1823 1 4 . 1 1 93 93 VAL H H 93 7.682 7.682 6.913 0.769 25816 1824 1 4 . 1 1 94 94 VAL N N 94 128.414 128.414 126.690 1.724 25816 1825 1 4 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.843 0.291 25816 1826 1 4 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.220 1.120 25816 1827 1 4 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.303 -2.187 25816 1828 1 4 . 1 1 94 94 VAL H H 94 8.400 8.400 8.075 0.325 25816 1829 1 4 . 1 1 95 95 MET N N 95 129.196 129.196 128.412 0.784 25816 1830 1 4 . 1 1 95 95 MET HA H 95 4.352 4.352 4.932 -0.580 25816 1831 1 4 . 1 1 95 95 MET CA C 95 53.674 53.674 53.932 -0.258 25816 1832 1 4 . 1 1 95 95 MET CB C 95 36.104 36.104 37.664 -1.560 25816 1833 1 4 . 1 1 95 95 MET H H 95 9.100 9.100 8.195 0.905 25816 1834 1 4 . 1 1 96 96 SER N N 96 111.540 111.540 115.586 -4.046 25816 1835 1 4 . 1 1 96 96 SER HA H 96 5.469 5.469 4.857 0.612 25816 1836 1 4 . 1 1 96 96 SER CA C 96 55.830 55.830 57.350 -1.520 25816 1837 1 4 . 1 1 96 96 SER CB C 96 65.471 65.471 64.740 0.731 25816 1838 1 4 . 1 1 96 96 SER H H 96 8.004 8.004 8.421 -0.417 25816 1839 1 4 . 1 1 97 97 ALA N N 97 124.079 124.079 128.177 -4.098 25816 1840 1 4 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.724 0.064 25816 1841 1 4 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.840 -1.441 25816 1842 1 4 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.880 0.664 25816 1843 1 4 . 1 1 97 97 ALA H H 97 9.145 9.145 8.195 0.950 25816 1844 1 4 . 1 1 98 98 THR N N 98 117.342 117.342 118.350 -1.008 25816 1845 1 4 . 1 1 98 98 THR HA H 98 4.823 4.823 4.480 0.343 25816 1846 1 4 . 1 1 98 98 THR CA C 98 61.053 61.053 62.198 -1.145 25816 1847 1 4 . 1 1 98 98 THR CB C 98 69.913 69.913 69.579 0.334 25816 1848 1 4 . 1 1 98 98 THR H H 98 8.754 8.754 8.438 0.316 25816 1849 1 4 . 1 1 99 99 ILE N N 99 125.689 125.689 128.119 -2.430 25816 1850 1 4 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.303 -0.192 25816 1851 1 4 . 1 1 99 99 ILE CA C 99 59.369 59.369 58.967 0.402 25816 1852 1 4 . 1 1 99 99 ILE CB C 99 39.691 39.691 36.909 2.782 25816 1853 1 4 . 1 1 99 99 ILE H H 99 8.868 8.868 8.137 0.731 25816 1854 1 4 . 1 1 100 100 VAL N N 100 129.871 129.871 125.426 4.445 25816 1855 1 4 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.834 -0.168 25816 1856 1 4 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.027 0.840 25816 1857 1 4 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.074 -1.464 25816 1858 1 4 . 1 1 100 100 VAL H H 100 8.818 8.818 8.421 0.397 25816 1859 1 4 . 1 1 101 101 VAL N N 101 128.299 128.299 127.865 0.434 25816 1860 1 4 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.221 -0.852 25816 1861 1 4 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.803 2.523 25816 1862 1 4 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.540 -0.566 25816 1863 1 4 . 1 1 101 101 VAL H H 101 8.795 8.795 7.757 1.038 25816 1864 1 4 . 1 1 102 102 GLY N N 102 115.466 115.466 114.665 0.801 25816 1865 1 4 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.186 -0.506 25816 1866 1 4 . 1 1 102 102 GLY H H 102 8.393 8.393 8.531 -0.138 25816 1867 1 4 . 1 1 103 103 GLU N N 103 119.459 119.459 125.374 -5.915 25816 1868 1 4 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.419 0.536 25816 1869 1 4 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.544 -2.798 25816 1870 1 4 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.387 1.814 25816 1871 1 4 . 1 1 103 103 GLU H H 103 8.386 8.386 7.867 0.519 25816 1872 1 4 . 1 1 104 104 LEU N N 104 123.881 123.881 119.723 4.158 25816 1873 1 4 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.383 0.317 25816 1874 1 4 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.272 -2.705 25816 1875 1 4 . 1 1 104 104 LEU CB C 104 44.058 44.058 41.912 2.146 25816 1876 1 4 . 1 1 104 104 LEU H H 104 8.735 8.735 8.129 0.606 25816 1877 1 5 . 1 1 2 2 LEU N N 2 122.611 122.611 120.123 2.488 25816 1878 1 5 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.582 -0.190 25816 1879 1 5 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.868 -1.536 25816 1880 1 5 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.504 -2.187 25816 1881 1 5 . 1 1 2 2 LEU H H 2 8.535 8.535 8.582 -0.047 25816 1882 1 5 . 1 1 3 3 THR N N 3 112.475 112.475 115.799 -3.324 25816 1883 1 5 . 1 1 3 3 THR HA H 3 4.777 4.777 4.465 0.312 25816 1884 1 5 . 1 1 3 3 THR CA C 3 59.259 59.259 61.659 -2.400 25816 1885 1 5 . 1 1 3 3 THR CB C 3 70.185 70.185 69.920 0.265 25816 1886 1 5 . 1 1 3 3 THR H H 3 7.903 7.903 8.298 -0.395 25816 1887 1 5 . 1 1 4 4 ARG N N 4 120.183 120.183 121.548 -1.365 25816 1888 1 5 . 1 1 4 4 ARG H H 4 8.809 8.809 8.413 0.396 25816 1889 1 5 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.478 -0.106 25816 1890 1 5 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.271 1.746 25816 1891 1 5 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.457 1.131 25816 1892 1 5 . 1 1 6 6 TYR N N 6 120.727 120.727 122.702 -1.975 25816 1893 1 5 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.550 0.084 25816 1894 1 5 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.208 -1.132 25816 1895 1 5 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.229 -0.175 25816 1896 1 5 . 1 1 6 6 TYR H H 6 7.530 7.530 8.138 -0.608 25816 1897 1 5 . 1 1 7 7 LEU N N 7 126.575 126.575 121.483 5.092 25816 1898 1 5 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.434 -0.026 25816 1899 1 5 . 1 1 7 7 LEU H H 7 8.500 8.500 8.293 0.207 25816 1900 1 5 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.972 0.735 25816 1901 1 5 . 1 1 9 9 PHE N N 9 114.612 114.612 116.369 -1.757 25816 1902 1 5 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.932 0.426 25816 1903 1 5 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.768 -0.506 25816 1904 1 5 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.619 -1.165 25816 1905 1 5 . 1 1 9 9 PHE H H 9 7.102 7.102 7.414 -0.312 25816 1906 1 5 . 1 1 10 10 ARG N N 10 117.800 117.800 120.714 -2.914 25816 1907 1 5 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.591 0.080 25816 1908 1 5 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.968 -1.569 25816 1909 1 5 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.826 0.989 25816 1910 1 5 . 1 1 10 10 ARG H H 10 8.206 8.206 8.586 -0.380 25816 1911 1 5 . 1 1 11 11 VAL N N 11 117.216 117.216 122.189 -4.973 25816 1912 1 5 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.903 0.264 25816 1913 1 5 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.122 -1.932 25816 1914 1 5 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.299 -1.424 25816 1915 1 5 . 1 1 11 11 VAL H H 11 8.601 8.601 8.388 0.213 25816 1916 1 5 . 1 1 12 12 ALA N N 12 123.025 123.025 131.912 -8.887 25816 1917 1 5 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.832 -0.252 25816 1918 1 5 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.734 -1.191 25816 1919 1 5 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.960 0.822 25816 1920 1 5 . 1 1 12 12 ALA H H 12 8.861 8.861 8.159 0.702 25816 1921 1 5 . 1 1 13 13 VAL N N 13 121.395 121.395 123.579 -2.184 25816 1922 1 5 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.078 0.473 25816 1923 1 5 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.502 -1.219 25816 1924 1 5 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.666 -0.972 25816 1925 1 5 . 1 1 13 13 VAL H H 13 8.585 8.585 8.637 -0.052 25816 1926 1 5 . 1 1 14 14 GLY N N 14 117.546 117.546 116.300 1.246 25816 1927 1 5 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.651 -2.267 25816 1928 1 5 . 1 1 14 14 GLY H H 14 8.789 8.789 8.028 0.761 25816 1929 1 5 . 1 1 15 15 ARG N N 15 120.075 120.075 121.173 -1.098 25816 1930 1 5 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.647 0.463 25816 1931 1 5 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.418 -1.525 25816 1932 1 5 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.408 0.348 25816 1933 1 5 . 1 1 15 15 ARG H H 15 8.299 8.299 8.388 -0.089 25816 1934 1 5 . 1 1 16 16 ASP N N 16 123.872 123.872 123.148 0.724 25816 1935 1 5 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.765 -0.020 25816 1936 1 5 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.318 -1.947 25816 1937 1 5 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.460 -1.708 25816 1938 1 5 . 1 1 16 16 ASP H H 16 8.619 8.619 8.451 0.168 25816 1939 1 5 . 1 1 17 17 SER N N 17 114.309 114.309 114.193 0.116 25816 1940 1 5 . 1 1 17 17 SER HA H 17 4.196 4.196 4.190 0.006 25816 1941 1 5 . 1 1 17 17 SER CA C 17 59.950 59.950 60.711 -0.761 25816 1942 1 5 . 1 1 17 17 SER CB C 17 61.825 61.825 63.340 -1.515 25816 1943 1 5 . 1 1 17 17 SER H H 17 8.624 8.624 8.677 -0.053 25816 1944 1 5 . 1 1 18 18 SER N N 18 117.903 117.903 114.595 3.308 25816 1945 1 5 . 1 1 18 18 SER HA H 18 4.597 4.597 4.247 0.350 25816 1946 1 5 . 1 1 18 18 SER CA C 18 57.732 57.732 59.174 -1.442 25816 1947 1 5 . 1 1 18 18 SER CB C 18 63.470 63.470 63.470 -0.000 25816 1948 1 5 . 1 1 18 18 SER H H 18 8.385 8.385 8.020 0.365 25816 1949 1 5 . 1 1 19 19 GLY N N 19 109.883 109.883 110.445 -0.562 25816 1950 1 5 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.362 -1.191 25816 1951 1 5 . 1 1 19 19 GLY H H 19 8.214 8.214 7.595 0.619 25816 1952 1 5 . 1 1 20 20 CYS N N 20 122.167 122.167 118.827 3.340 25816 1953 1 5 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.629 -0.141 25816 1954 1 5 . 1 1 20 20 CYS CA C 20 58.037 58.037 56.977 1.060 25816 1955 1 5 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.820 -2.135 25816 1956 1 5 . 1 1 20 20 CYS H H 20 8.286 8.286 8.105 0.181 25816 1957 1 5 . 1 1 21 21 THR N N 21 119.387 119.387 113.072 6.315 25816 1958 1 5 . 1 1 21 21 THR HA H 21 4.764 4.764 4.093 0.671 25816 1959 1 5 . 1 1 21 21 THR CA C 21 61.953 61.953 63.198 -1.245 25816 1960 1 5 . 1 1 21 21 THR CB C 21 68.795 68.795 67.414 1.381 25816 1961 1 5 . 1 1 21 21 THR H H 21 8.626 8.626 7.792 0.834 25816 1962 1 5 . 1 1 22 22 THR N N 22 116.611 116.611 116.047 0.564 25816 1963 1 5 . 1 1 22 22 THR HA H 22 4.513 4.513 4.676 -0.163 25816 1964 1 5 . 1 1 22 22 THR CA C 22 58.918 58.918 59.729 -0.811 25816 1965 1 5 . 1 1 22 22 THR CB C 22 71.128 71.128 70.956 0.172 25816 1966 1 5 . 1 1 22 22 THR H H 22 8.343 8.343 7.679 0.664 25816 1967 1 5 . 1 1 23 23 LEU N N 23 122.893 122.893 125.766 -2.873 25816 1968 1 5 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.992 -0.060 25816 1969 1 5 . 1 1 23 23 LEU CA C 23 52.487 52.487 54.175 -1.688 25816 1970 1 5 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.838 -1.573 25816 1971 1 5 . 1 1 23 23 LEU H H 23 9.157 9.157 8.578 0.579 25816 1972 1 5 . 1 1 24 24 SER N N 24 116.771 116.771 118.215 -1.444 25816 1973 1 5 . 1 1 24 24 SER HA H 24 5.173 5.173 4.757 0.416 25816 1974 1 5 . 1 1 24 24 SER CA C 24 55.247 55.247 57.740 -2.493 25816 1975 1 5 . 1 1 24 24 SER CB C 24 64.841 64.841 64.256 0.585 25816 1976 1 5 . 1 1 24 24 SER H H 24 8.656 8.656 8.163 0.493 25816 1977 1 5 . 1 1 25 25 ILE N N 25 122.747 122.747 125.731 -2.984 25816 1978 1 5 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.729 -0.698 25816 1979 1 5 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.898 2.372 25816 1980 1 5 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.135 -1.486 25816 1981 1 5 . 1 1 25 25 ILE H H 25 9.023 9.023 8.948 0.075 25816 1982 1 5 . 1 1 26 26 GLN N N 26 129.779 129.779 126.997 2.782 25816 1983 1 5 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.237 0.192 25816 1984 1 5 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.895 -3.308 25816 1985 1 5 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.245 1.031 25816 1986 1 5 . 1 1 26 26 GLN H H 26 9.093 9.093 8.508 0.585 25816 1987 1 5 . 1 1 27 27 GLU N N 27 118.722 118.722 117.763 0.959 25816 1988 1 5 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.112 -0.148 25816 1989 1 5 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.318 -0.296 25816 1990 1 5 . 1 1 27 27 GLU H H 27 7.479 7.479 7.815 -0.336 25816 1991 1 5 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.582 -0.139 25816 1992 1 5 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.869 0.286 25816 1993 1 5 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.602 2.079 25816 1994 1 5 . 1 1 29 29 THR N N 29 124.459 124.459 119.552 4.907 25816 1995 1 5 . 1 1 29 29 THR HA H 29 4.183 4.183 4.429 -0.246 25816 1996 1 5 . 1 1 29 29 THR CA C 29 62.474 62.474 63.160 -0.686 25816 1997 1 5 . 1 1 29 29 THR CB C 29 68.811 68.811 68.415 0.397 25816 1998 1 5 . 1 1 29 29 THR H H 29 8.009 8.009 8.735 -0.726 25816 1999 1 5 . 1 1 30 30 GLN N N 30 130.053 130.053 118.327 11.726 25816 2000 1 5 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.197 -0.675 25816 2001 1 5 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.586 1.300 25816 2002 1 5 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.154 -0.849 25816 2003 1 5 . 1 1 30 30 GLN H H 30 9.321 9.321 8.433 0.888 25816 2004 1 5 . 1 1 31 31 THR N N 31 111.234 111.234 112.432 -1.198 25816 2005 1 5 . 1 1 31 31 THR HA H 31 5.509 5.509 4.295 1.214 25816 2006 1 5 . 1 1 31 31 THR CA C 31 58.798 58.798 62.479 -3.681 25816 2007 1 5 . 1 1 31 31 THR CB C 31 71.374 71.374 68.712 2.662 25816 2008 1 5 . 1 1 31 31 THR H H 31 7.630 7.630 7.435 0.195 25816 2009 1 5 . 1 1 32 32 TYR N N 32 121.998 121.998 120.492 1.506 25816 2010 1 5 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.634 0.169 25816 2011 1 5 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.025 -3.226 25816 2012 1 5 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.986 -2.268 25816 2013 1 5 . 1 1 32 32 TYR H H 32 9.359 9.359 7.468 1.891 25816 2014 1 5 . 1 1 33 33 THR N N 33 114.039 114.039 114.633 -0.594 25816 2015 1 5 . 1 1 33 33 THR HA H 33 4.390 4.390 4.424 -0.034 25816 2016 1 5 . 1 1 33 33 THR CA C 33 59.896 59.896 61.222 -1.326 25816 2017 1 5 . 1 1 33 33 THR CB C 33 69.135 69.135 71.011 -1.876 25816 2018 1 5 . 1 1 33 33 THR H H 33 7.985 7.985 8.065 -0.080 25816 2019 1 5 . 1 1 34 34 GLY N N 34 113.445 113.445 107.209 6.236 25816 2020 1 5 . 1 1 34 34 GLY CA C 34 44.072 44.072 44.968 -0.896 25816 2021 1 5 . 1 1 34 34 GLY H H 34 8.698 8.698 8.206 0.492 25816 2022 1 5 . 1 1 35 35 SER N N 35 113.837 113.837 114.057 -0.220 25816 2023 1 5 . 1 1 35 35 SER HA H 35 4.264 4.264 4.489 -0.225 25816 2024 1 5 . 1 1 35 35 SER CA C 35 57.651 57.651 59.373 -1.722 25816 2025 1 5 . 1 1 35 35 SER CB C 35 63.056 63.056 63.844 -0.788 25816 2026 1 5 . 1 1 35 35 SER H H 35 8.039 8.039 8.189 -0.150 25816 2027 1 5 . 1 1 36 36 ASN N N 36 119.749 119.749 114.457 5.292 25816 2028 1 5 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.784 -0.200 25816 2029 1 5 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.301 -0.520 25816 2030 1 5 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.327 -2.141 25816 2031 1 5 . 1 1 36 36 ASN H H 36 8.767 8.767 8.099 0.668 25816 2032 1 5 . 1 1 37 37 GLY N N 37 110.628 110.628 106.077 4.551 25816 2033 1 5 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.690 -1.105 25816 2034 1 5 . 1 1 37 37 GLY H H 37 8.496 8.496 7.841 0.655 25816 2035 1 5 . 1 1 38 38 GLY N N 38 108.654 108.654 107.736 0.918 25816 2036 1 5 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.377 -0.277 25816 2037 1 5 . 1 1 38 38 GLY H H 38 7.955 7.955 8.127 -0.172 25816 2038 1 5 . 1 1 39 39 ALA N N 39 123.326 123.326 120.536 2.790 25816 2039 1 5 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.424 -0.213 25816 2040 1 5 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.889 -1.051 25816 2041 1 5 . 1 1 39 39 ALA CB C 39 18.729 18.729 19.779 -1.050 25816 2042 1 5 . 1 1 39 39 ALA H H 39 8.028 8.028 8.082 -0.054 25816 2043 1 5 . 1 1 40 40 ASP N N 40 119.573 119.573 116.903 2.670 25816 2044 1 5 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.254 0.133 25816 2045 1 5 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.804 -0.810 25816 2046 1 5 . 1 1 40 40 ASP CB C 40 39.627 39.627 38.738 0.889 25816 2047 1 5 . 1 1 40 40 ASP H H 40 8.261 8.261 8.111 0.150 25816 2048 1 5 . 1 1 41 41 LEU N N 41 123.899 123.899 123.284 0.615 25816 2049 1 5 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.333 0.109 25816 2050 1 5 . 1 1 41 41 LEU CA C 41 52.221 52.221 55.913 -3.692 25816 2051 1 5 . 1 1 41 41 LEU CB C 41 43.009 43.009 44.434 -1.425 25816 2052 1 5 . 1 1 41 41 LEU H H 41 8.663 8.663 7.780 0.883 25816 2053 1 5 . 1 1 42 42 MET N N 42 119.684 119.684 116.814 2.870 25816 2054 1 5 . 1 1 42 42 MET HA H 42 4.730 4.730 4.512 0.218 25816 2055 1 5 . 1 1 42 42 MET CA C 42 54.695 54.695 55.502 -0.807 25816 2056 1 5 . 1 1 42 42 MET CB C 42 32.194 32.194 34.985 -2.791 25816 2057 1 5 . 1 1 42 42 MET H H 42 8.553 8.553 8.022 0.531 25816 2058 1 5 . 1 1 43 43 GLY N N 43 113.052 113.052 110.150 2.902 25816 2059 1 5 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.552 -3.174 25816 2060 1 5 . 1 1 43 43 GLY H H 43 8.618 8.618 8.493 0.125 25816 2061 1 5 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.624 0.096 25816 2062 1 5 . 1 1 44 44 PRO CA C 44 61.231 61.231 63.924 -2.693 25816 2063 1 5 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.468 0.485 25816 2064 1 5 . 1 1 45 45 ALA N N 45 120.693 120.693 123.356 -2.663 25816 2065 1 5 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.262 -0.278 25816 2066 1 5 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.908 -1.104 25816 2067 1 5 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.052 -0.085 25816 2068 1 5 . 1 1 45 45 ALA H H 45 7.524 7.524 7.938 -0.414 25816 2069 1 5 . 1 1 46 46 PHE N N 46 122.306 122.306 119.119 3.187 25816 2070 1 5 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.263 -0.301 25816 2071 1 5 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.647 0.679 25816 2072 1 5 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.031 -0.411 25816 2073 1 5 . 1 1 46 46 PHE H H 46 8.603 8.603 8.301 0.302 25816 2074 1 5 . 1 1 47 47 ALA N N 47 123.253 123.253 121.507 1.746 25816 2075 1 5 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.121 -0.033 25816 2076 1 5 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.032 -0.081 25816 2077 1 5 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.412 -0.765 25816 2078 1 5 . 1 1 47 47 ALA H H 47 9.199 9.199 7.707 1.492 25816 2079 1 5 . 1 1 48 48 ALA N N 48 117.571 117.571 119.172 -1.601 25816 2080 1 5 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.269 0.034 25816 2081 1 5 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.717 -0.030 25816 2082 1 5 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.891 -1.119 25816 2083 1 5 . 1 1 48 48 ALA H H 48 7.262 7.262 7.521 -0.259 25816 2084 1 5 . 1 1 49 49 GLY N N 49 103.229 103.229 106.657 -3.428 25816 2085 1 5 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.951 -1.332 25816 2086 1 5 . 1 1 49 49 GLY H H 49 7.461 7.461 7.524 -0.063 25816 2087 1 5 . 1 1 50 50 LEU N N 50 120.470 120.470 120.367 0.103 25816 2088 1 5 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.049 -0.531 25816 2089 1 5 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.479 -1.067 25816 2090 1 5 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.919 -0.964 25816 2091 1 5 . 1 1 50 50 LEU H H 50 7.224 7.224 7.393 -0.169 25816 2092 1 5 . 1 1 51 51 ARG N N 51 119.645 119.645 120.624 -0.979 25816 2093 1 5 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.865 -1.375 25816 2094 1 5 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.344 -0.528 25816 2095 1 5 . 1 1 51 51 ARG H H 51 8.678 8.678 8.063 0.615 25816 2096 1 5 . 1 1 52 52 VAL N N 52 119.995 119.995 117.941 2.054 25816 2097 1 5 . 1 1 52 52 VAL HA H 52 3.223 3.223 4.144 -0.921 25816 2098 1 5 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.916 1.302 25816 2099 1 5 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.603 -1.454 25816 2100 1 5 . 1 1 52 52 VAL H H 52 8.482 8.482 8.395 0.087 25816 2101 1 5 . 1 1 53 53 GLY N N 53 117.052 117.052 114.522 2.530 25816 2102 1 5 . 1 1 53 53 GLY CA C 53 43.425 43.425 45.139 -1.714 25816 2103 1 5 . 1 1 53 53 GLY H H 53 9.122 9.122 9.002 0.120 25816 2104 1 5 . 1 1 54 54 ASP N N 54 124.203 124.203 120.579 3.624 25816 2105 1 5 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.282 -0.449 25816 2106 1 5 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.882 0.852 25816 2107 1 5 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.376 -2.097 25816 2108 1 5 . 1 1 54 54 ASP H H 54 7.848 7.848 7.622 0.226 25816 2109 1 5 . 1 1 55 55 GLN N N 55 121.703 121.703 121.819 -0.116 25816 2110 1 5 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.748 0.119 25816 2111 1 5 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.436 -1.910 25816 2112 1 5 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.589 -0.557 25816 2113 1 5 . 1 1 55 55 GLN H H 55 9.158 9.158 8.681 0.477 25816 2114 1 5 . 1 1 56 56 LEU N N 56 124.733 124.733 127.405 -2.672 25816 2115 1 5 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.475 -0.288 25816 2116 1 5 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.135 1.060 25816 2117 1 5 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.480 -0.467 25816 2118 1 5 . 1 1 56 56 LEU H H 56 8.770 8.770 8.740 0.030 25816 2119 1 5 . 1 1 57 57 VAL N N 57 123.383 123.383 119.667 3.716 25816 2120 1 5 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.288 0.020 25816 2121 1 5 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.450 0.693 25816 2122 1 5 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.092 -0.457 25816 2123 1 5 . 1 1 57 57 VAL H H 57 8.889 8.889 8.049 0.840 25816 2124 1 5 . 1 1 58 58 ARG N N 58 118.094 118.094 118.712 -0.618 25816 2125 1 5 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.822 1.516 25816 2126 1 5 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.627 -3.415 25816 2127 1 5 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.273 5.340 25816 2128 1 5 . 1 1 58 58 ARG H H 58 8.531 8.531 7.609 0.922 25816 2129 1 5 . 1 1 59 59 PHE N N 59 123.332 123.332 116.730 6.602 25816 2130 1 5 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.589 0.346 25816 2131 1 5 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.537 0.319 25816 2132 1 5 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.595 0.376 25816 2133 1 5 . 1 1 59 59 PHE H H 59 9.295 9.295 7.670 1.625 25816 2134 1 5 . 1 1 60 60 ALA N N 60 127.537 127.537 125.201 2.336 25816 2135 1 5 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.988 -0.401 25816 2136 1 5 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.935 -0.561 25816 2137 1 5 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.662 -3.189 25816 2138 1 5 . 1 1 60 60 ALA H H 60 8.356 8.356 8.615 -0.259 25816 2139 1 5 . 1 1 61 61 GLY N N 61 103.058 103.058 108.983 -5.925 25816 2140 1 5 . 1 1 61 61 GLY CA C 61 43.787 43.787 45.009 -1.222 25816 2141 1 5 . 1 1 61 61 GLY H H 61 9.178 9.178 8.581 0.597 25816 2142 1 5 . 1 1 62 62 TYR N N 62 120.218 120.218 116.958 3.260 25816 2143 1 5 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.045 0.585 25816 2144 1 5 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.759 -2.182 25816 2145 1 5 . 1 1 62 62 TYR CB C 62 38.892 38.892 36.130 2.762 25816 2146 1 5 . 1 1 62 62 TYR H H 62 7.888 7.888 7.450 0.438 25816 2147 1 5 . 1 1 63 63 THR N N 63 120.933 120.933 113.660 7.273 25816 2148 1 5 . 1 1 63 63 THR HA H 63 4.479 4.479 4.696 -0.217 25816 2149 1 5 . 1 1 63 63 THR CA C 63 62.851 62.851 61.608 1.243 25816 2150 1 5 . 1 1 63 63 THR CB C 63 67.848 67.848 71.183 -3.336 25816 2151 1 5 . 1 1 63 63 THR H H 63 9.108 9.108 7.969 1.139 25816 2152 1 5 . 1 1 64 64 VAL N N 64 121.039 121.039 125.446 -4.407 25816 2153 1 5 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.433 0.166 25816 2154 1 5 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.139 -1.272 25816 2155 1 5 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.567 -1.563 25816 2156 1 5 . 1 1 64 64 VAL H H 64 7.782 7.782 8.461 -0.679 25816 2157 1 5 . 1 1 65 65 THR N N 65 114.373 114.373 117.119 -2.746 25816 2158 1 5 . 1 1 65 65 THR HA H 65 4.452 4.452 4.210 0.242 25816 2159 1 5 . 1 1 65 65 THR CA C 65 60.536 60.536 63.789 -3.253 25816 2160 1 5 . 1 1 65 65 THR CB C 65 69.037 69.037 69.368 -0.331 25816 2161 1 5 . 1 1 65 65 THR H H 65 9.053 9.053 8.519 0.534 25816 2162 1 5 . 1 1 66 66 GLU N N 66 115.766 115.766 118.718 -2.952 25816 2163 1 5 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.497 0.066 25816 2164 1 5 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.399 -2.012 25816 2165 1 5 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.508 0.057 25816 2166 1 5 . 1 1 66 66 GLU H H 66 7.345 7.345 7.816 -0.471 25816 2167 1 5 . 1 1 67 67 LEU N N 67 124.674 124.674 118.664 6.010 25816 2168 1 5 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.700 -0.766 25816 2169 1 5 . 1 1 67 67 LEU CA C 67 57.535 57.535 58.103 -0.568 25816 2170 1 5 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.820 0.233 25816 2171 1 5 . 1 1 67 67 LEU H H 67 8.906 8.906 8.493 0.413 25816 2172 1 5 . 1 1 68 68 ALA N N 68 120.493 120.493 122.403 -1.910 25816 2173 1 5 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.102 0.034 25816 2174 1 5 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.123 -0.449 25816 2175 1 5 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.619 -1.098 25816 2176 1 5 . 1 1 68 68 ALA H H 68 9.022 9.022 8.453 0.569 25816 2177 1 5 . 1 1 69 69 ALA N N 69 119.695 119.695 122.140 -2.445 25816 2178 1 5 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.311 -0.149 25816 2179 1 5 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.777 -0.757 25816 2180 1 5 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.580 -0.917 25816 2181 1 5 . 1 1 69 69 ALA H H 69 7.258 7.258 7.579 -0.321 25816 2182 1 5 . 1 1 70 70 PHE N N 70 119.274 119.274 118.894 0.380 25816 2183 1 5 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.273 -0.314 25816 2184 1 5 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.128 0.832 25816 2185 1 5 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.300 -0.868 25816 2186 1 5 . 1 1 70 70 PHE H H 70 7.769 7.769 8.086 -0.317 25816 2187 1 5 . 1 1 71 71 ASN N N 71 117.363 117.363 117.945 -0.582 25816 2188 1 5 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.229 -0.127 25816 2189 1 5 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.340 -1.643 25816 2190 1 5 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.917 -2.844 25816 2191 1 5 . 1 1 71 71 ASN H H 71 8.801 8.801 8.677 0.124 25816 2192 1 5 . 1 1 72 72 THR N N 72 119.746 119.746 114.330 5.416 25816 2193 1 5 . 1 1 72 72 THR HA H 72 4.220 4.220 3.965 0.255 25816 2194 1 5 . 1 1 72 72 THR CA C 72 65.927 65.927 66.385 -0.458 25816 2195 1 5 . 1 1 72 72 THR CB C 72 67.600 67.600 68.893 -1.293 25816 2196 1 5 . 1 1 72 72 THR H H 72 8.109 8.109 8.114 -0.005 25816 2197 1 5 . 1 1 73 73 VAL N N 73 123.156 123.156 119.956 3.200 25816 2198 1 5 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.821 -0.366 25816 2199 1 5 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.088 0.068 25816 2200 1 5 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.262 -0.926 25816 2201 1 5 . 1 1 73 73 VAL H H 73 7.744 7.744 7.876 -0.132 25816 2202 1 5 . 1 1 74 74 VAL N N 74 120.420 120.420 120.170 0.250 25816 2203 1 5 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.737 -0.371 25816 2204 1 5 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.288 -0.690 25816 2205 1 5 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.355 -0.870 25816 2206 1 5 . 1 1 74 74 VAL H H 74 8.154 8.154 7.643 0.511 25816 2207 1 5 . 1 1 75 75 ALA N N 75 120.206 120.206 119.586 0.620 25816 2208 1 5 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.906 0.089 25816 2209 1 5 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.510 -0.511 25816 2210 1 5 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.945 -1.981 25816 2211 1 5 . 1 1 75 75 ALA H H 75 7.788 7.788 7.970 -0.182 25816 2212 1 5 . 1 1 76 76 ARG N N 76 114.701 114.701 116.026 -1.325 25816 2213 1 5 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.040 0.045 25816 2214 1 5 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.991 -1.009 25816 2215 1 5 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.165 0.519 25816 2216 1 5 . 1 1 76 76 ARG H H 76 7.705 7.705 7.993 -0.288 25816 2217 1 5 . 1 1 77 77 HIS N N 77 112.695 112.695 117.792 -5.097 25816 2218 1 5 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.528 0.282 25816 2219 1 5 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.470 -0.309 25816 2220 1 5 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.362 0.671 25816 2221 1 5 . 1 1 77 77 HIS H H 77 8.123 8.123 7.841 0.282 25816 2222 1 5 . 1 1 78 78 VAL N N 78 119.219 119.219 115.407 3.812 25816 2223 1 5 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.442 -0.549 25816 2224 1 5 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.041 2.524 25816 2225 1 5 . 1 1 78 78 VAL CB C 78 29.128 29.128 32.707 -3.579 25816 2226 1 5 . 1 1 78 78 VAL H H 78 8.034 8.034 8.122 -0.088 25816 2227 1 5 . 1 1 79 79 ARG N N 79 126.908 126.908 122.172 4.736 25816 2228 1 5 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.379 -3.018 25816 2229 1 5 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.231 -0.040 25816 2230 1 5 . 1 1 79 79 ARG H H 79 7.023 7.023 8.320 -1.297 25816 2231 1 5 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.409 -0.384 25816 2232 1 5 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.778 -0.208 25816 2233 1 5 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.243 -1.031 25816 2234 1 5 . 1 1 81 81 SER N N 81 115.039 115.039 112.662 2.377 25816 2235 1 5 . 1 1 81 81 SER HA H 81 4.047 4.047 4.541 -0.494 25816 2236 1 5 . 1 1 81 81 SER CA C 81 60.713 60.713 58.326 2.387 25816 2237 1 5 . 1 1 81 81 SER H H 81 8.210 8.210 7.697 0.513 25816 2238 1 5 . 1 1 82 82 ALA N N 82 123.546 123.546 126.641 -3.095 25816 2239 1 5 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.748 -0.402 25816 2240 1 5 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.204 0.302 25816 2241 1 5 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.739 -2.644 25816 2242 1 5 . 1 1 82 82 ALA H H 82 7.770 7.770 7.888 -0.118 25816 2243 1 5 . 1 1 83 83 SER N N 83 116.753 116.753 119.355 -2.602 25816 2244 1 5 . 1 1 83 83 SER HA H 83 5.129 5.129 4.945 0.184 25816 2245 1 5 . 1 1 83 83 SER CA C 83 56.582 56.582 57.612 -1.030 25816 2246 1 5 . 1 1 83 83 SER CB C 83 62.554 62.554 63.441 -0.887 25816 2247 1 5 . 1 1 83 83 SER H H 83 8.524 8.524 8.607 -0.083 25816 2248 1 5 . 1 1 84 84 ILE N N 84 126.985 126.985 127.084 -0.099 25816 2249 1 5 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.701 -2.915 25816 2250 1 5 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.758 -1.334 25816 2251 1 5 . 1 1 84 84 ILE H H 84 9.599 9.599 7.865 1.734 25816 2252 1 5 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.388 0.557 25816 2253 1 5 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.503 -0.949 25816 2254 1 5 . 1 1 85 85 PRO CB C 85 31.427 31.427 30.964 0.463 25816 2255 1 5 . 1 1 86 86 VAL N N 86 123.811 123.811 126.500 -2.689 25816 2256 1 5 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.194 0.655 25816 2257 1 5 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.309 -1.536 25816 2258 1 5 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.672 -0.028 25816 2259 1 5 . 1 1 86 86 VAL H H 86 9.033 9.033 7.803 1.230 25816 2260 1 5 . 1 1 87 87 VAL N N 87 127.839 127.839 126.242 1.597 25816 2261 1 5 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.162 0.810 25816 2262 1 5 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.121 -0.428 25816 2263 1 5 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.282 1.136 25816 2264 1 5 . 1 1 87 87 VAL H H 87 9.132 9.132 8.621 0.511 25816 2265 1 5 . 1 1 88 88 PHE N N 88 127.301 127.301 128.596 -1.295 25816 2266 1 5 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.801 -0.183 25816 2267 1 5 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.465 -1.254 25816 2268 1 5 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.596 -2.594 25816 2269 1 5 . 1 1 88 88 PHE H H 88 9.248 9.248 8.197 1.051 25816 2270 1 5 . 1 1 89 89 SER N N 89 113.734 113.734 117.276 -3.542 25816 2271 1 5 . 1 1 89 89 SER HA H 89 5.336 5.336 4.528 0.808 25816 2272 1 5 . 1 1 89 89 SER CA C 89 54.452 54.452 56.120 -1.669 25816 2273 1 5 . 1 1 89 89 SER CB C 89 64.474 64.474 65.689 -1.215 25816 2274 1 5 . 1 1 89 89 SER H H 89 9.689 9.689 7.901 1.788 25816 2275 1 5 . 1 1 90 90 ARG N N 90 128.114 128.114 124.187 3.927 25816 2276 1 5 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.453 0.294 25816 2277 1 5 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.808 -0.686 25816 2278 1 5 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.958 1.378 25816 2279 1 5 . 1 1 90 90 ARG H H 90 8.561 8.561 7.600 0.961 25816 2280 1 5 . 1 1 91 91 ASP N N 91 129.790 129.790 122.424 7.366 25816 2281 1 5 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.451 -0.182 25816 2282 1 5 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.923 -0.422 25816 2283 1 5 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.913 0.168 25816 2284 1 5 . 1 1 91 91 ASP H H 91 9.461 9.461 8.417 1.044 25816 2285 1 5 . 1 1 92 92 GLY N N 92 102.404 102.404 104.173 -1.769 25816 2286 1 5 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.915 -0.610 25816 2287 1 5 . 1 1 92 92 GLY H H 92 8.391 8.391 8.504 -0.113 25816 2288 1 5 . 1 1 93 93 VAL N N 93 123.090 123.090 122.549 0.541 25816 2289 1 5 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.835 0.167 25816 2290 1 5 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.355 -2.089 25816 2291 1 5 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.447 -0.629 25816 2292 1 5 . 1 1 93 93 VAL H H 93 7.682 7.682 6.998 0.684 25816 2293 1 5 . 1 1 94 94 VAL N N 94 128.414 128.414 126.733 1.681 25816 2294 1 5 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.284 -0.150 25816 2295 1 5 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.509 0.831 25816 2296 1 5 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.920 -2.804 25816 2297 1 5 . 1 1 94 94 VAL H H 94 8.400 8.400 8.212 0.188 25816 2298 1 5 . 1 1 95 95 MET N N 95 129.196 129.196 129.099 0.097 25816 2299 1 5 . 1 1 95 95 MET HA H 95 4.352 4.352 4.974 -0.622 25816 2300 1 5 . 1 1 95 95 MET CA C 95 53.674 53.674 54.237 -0.563 25816 2301 1 5 . 1 1 95 95 MET CB C 95 36.104 36.104 37.361 -1.257 25816 2302 1 5 . 1 1 95 95 MET H H 95 9.100 9.100 8.470 0.630 25816 2303 1 5 . 1 1 96 96 SER N N 96 111.540 111.540 116.932 -5.392 25816 2304 1 5 . 1 1 96 96 SER HA H 96 5.469 5.469 4.985 0.484 25816 2305 1 5 . 1 1 96 96 SER CA C 96 55.830 55.830 57.190 -1.359 25816 2306 1 5 . 1 1 96 96 SER CB C 96 65.471 65.471 65.171 0.300 25816 2307 1 5 . 1 1 96 96 SER H H 96 8.004 8.004 8.402 -0.398 25816 2308 1 5 . 1 1 97 97 ALA N N 97 124.079 124.079 128.131 -4.052 25816 2309 1 5 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.768 0.020 25816 2310 1 5 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.955 -1.556 25816 2311 1 5 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.005 0.539 25816 2312 1 5 . 1 1 97 97 ALA H H 97 9.145 9.145 8.287 0.858 25816 2313 1 5 . 1 1 98 98 THR N N 98 117.342 117.342 119.061 -1.719 25816 2314 1 5 . 1 1 98 98 THR HA H 98 4.823 4.823 4.829 -0.006 25816 2315 1 5 . 1 1 98 98 THR CA C 98 61.053 61.053 61.568 -0.515 25816 2316 1 5 . 1 1 98 98 THR CB C 98 69.913 69.913 69.625 0.288 25816 2317 1 5 . 1 1 98 98 THR H H 98 8.754 8.754 8.387 0.367 25816 2318 1 5 . 1 1 99 99 ILE N N 99 125.689 125.689 125.010 0.679 25816 2319 1 5 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.416 -0.305 25816 2320 1 5 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.644 -1.275 25816 2321 1 5 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.482 1.209 25816 2322 1 5 . 1 1 99 99 ILE H H 99 8.868 8.868 8.018 0.850 25816 2323 1 5 . 1 1 100 100 VAL N N 100 129.871 129.871 124.095 5.776 25816 2324 1 5 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.942 -0.276 25816 2325 1 5 . 1 1 100 100 VAL CA C 100 60.867 60.867 59.627 1.240 25816 2326 1 5 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.153 -1.543 25816 2327 1 5 . 1 1 100 100 VAL H H 100 8.818 8.818 8.474 0.344 25816 2328 1 5 . 1 1 101 101 VAL N N 101 128.299 128.299 127.511 0.788 25816 2329 1 5 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.225 -0.856 25816 2330 1 5 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.831 1.496 25816 2331 1 5 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.946 -0.972 25816 2332 1 5 . 1 1 101 101 VAL H H 101 8.795 8.795 7.887 0.908 25816 2333 1 5 . 1 1 102 102 GLY N N 102 115.466 115.466 116.284 -0.818 25816 2334 1 5 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.017 -0.337 25816 2335 1 5 . 1 1 102 102 GLY H H 102 8.393 8.393 8.341 0.052 25816 2336 1 5 . 1 1 103 103 GLU N N 103 119.459 119.459 124.110 -4.651 25816 2337 1 5 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.095 0.860 25816 2338 1 5 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.732 -2.986 25816 2339 1 5 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.498 1.703 25816 2340 1 5 . 1 1 103 103 GLU H H 103 8.386 8.386 7.820 0.566 25816 2341 1 5 . 1 1 104 104 LEU N N 104 123.881 123.881 117.039 6.842 25816 2342 1 5 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.007 0.693 25816 2343 1 5 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.306 -2.739 25816 2344 1 5 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.379 3.679 25816 2345 1 5 . 1 1 104 104 LEU H H 104 8.735 8.735 8.664 0.071 25816 2346 1 6 . 1 1 2 2 LEU N N 2 122.611 122.611 123.182 -0.571 25816 2347 1 6 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.644 -0.252 25816 2348 1 6 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.950 -0.618 25816 2349 1 6 . 1 1 2 2 LEU CB C 2 41.317 41.317 41.925 -0.608 25816 2350 1 6 . 1 1 2 2 LEU H H 2 8.535 8.535 8.646 -0.111 25816 2351 1 6 . 1 1 3 3 THR N N 3 112.475 112.475 115.412 -2.937 25816 2352 1 6 . 1 1 3 3 THR HA H 3 4.777 4.777 4.509 0.268 25816 2353 1 6 . 1 1 3 3 THR CA C 3 59.259 59.259 61.883 -2.624 25816 2354 1 6 . 1 1 3 3 THR CB C 3 70.185 70.185 70.206 -0.021 25816 2355 1 6 . 1 1 3 3 THR H H 3 7.903 7.903 7.792 0.111 25816 2356 1 6 . 1 1 4 4 ARG N N 4 120.183 120.183 119.855 0.328 25816 2357 1 6 . 1 1 4 4 ARG H H 4 8.809 8.809 8.293 0.516 25816 2358 1 6 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.193 0.179 25816 2359 1 6 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.168 2.849 25816 2360 1 6 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.225 -0.637 25816 2361 1 6 . 1 1 6 6 TYR N N 6 120.727 120.727 117.162 3.565 25816 2362 1 6 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.536 0.098 25816 2363 1 6 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.829 -1.753 25816 2364 1 6 . 1 1 6 6 TYR CB C 6 41.054 41.054 38.923 2.131 25816 2365 1 6 . 1 1 6 6 TYR H H 6 7.530 7.530 8.003 -0.473 25816 2366 1 6 . 1 1 7 7 LEU N N 7 126.575 126.575 120.680 5.895 25816 2367 1 6 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.780 0.627 25816 2368 1 6 . 1 1 7 7 LEU H H 7 8.500 8.500 8.354 0.146 25816 2369 1 6 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.999 0.708 25816 2370 1 6 . 1 1 9 9 PHE N N 9 114.612 114.612 116.823 -2.211 25816 2371 1 6 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.967 0.391 25816 2372 1 6 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.606 -0.344 25816 2373 1 6 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.403 -0.949 25816 2374 1 6 . 1 1 9 9 PHE H H 9 7.102 7.102 7.156 -0.054 25816 2375 1 6 . 1 1 10 10 ARG N N 10 117.800 117.800 120.599 -2.799 25816 2376 1 6 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.627 0.044 25816 2377 1 6 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.220 -1.821 25816 2378 1 6 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.328 1.487 25816 2379 1 6 . 1 1 10 10 ARG H H 10 8.206 8.206 8.642 -0.436 25816 2380 1 6 . 1 1 11 11 VAL N N 11 117.216 117.216 118.149 -0.933 25816 2381 1 6 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.206 -0.039 25816 2382 1 6 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.681 -2.491 25816 2383 1 6 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.275 -0.400 25816 2384 1 6 . 1 1 11 11 VAL H H 11 8.601 8.601 8.423 0.178 25816 2385 1 6 . 1 1 12 12 ALA N N 12 123.025 123.025 130.409 -7.384 25816 2386 1 6 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.813 -0.233 25816 2387 1 6 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.704 -1.161 25816 2388 1 6 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.299 1.483 25816 2389 1 6 . 1 1 12 12 ALA H H 12 8.861 8.861 8.133 0.728 25816 2390 1 6 . 1 1 13 13 VAL N N 13 121.395 121.395 124.048 -2.653 25816 2391 1 6 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.082 0.469 25816 2392 1 6 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.190 -0.907 25816 2393 1 6 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.066 -0.372 25816 2394 1 6 . 1 1 13 13 VAL H H 13 8.585 8.585 8.759 -0.174 25816 2395 1 6 . 1 1 14 14 GLY N N 14 117.546 117.546 116.829 0.717 25816 2396 1 6 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.613 -2.229 25816 2397 1 6 . 1 1 14 14 GLY H H 14 8.789 8.789 8.050 0.739 25816 2398 1 6 . 1 1 15 15 ARG N N 15 120.075 120.075 121.165 -1.090 25816 2399 1 6 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.721 0.389 25816 2400 1 6 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.262 -1.369 25816 2401 1 6 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.747 0.009 25816 2402 1 6 . 1 1 15 15 ARG H H 15 8.299 8.299 8.332 -0.033 25816 2403 1 6 . 1 1 16 16 ASP N N 16 123.872 123.872 122.494 1.378 25816 2404 1 6 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.631 0.114 25816 2405 1 6 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.929 -1.558 25816 2406 1 6 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.425 -0.673 25816 2407 1 6 . 1 1 16 16 ASP H H 16 8.619 8.619 8.412 0.207 25816 2408 1 6 . 1 1 17 17 SER N N 17 114.309 114.309 113.567 0.742 25816 2409 1 6 . 1 1 17 17 SER HA H 17 4.196 4.196 4.298 -0.102 25816 2410 1 6 . 1 1 17 17 SER CA C 17 59.950 59.950 60.157 -0.207 25816 2411 1 6 . 1 1 17 17 SER CB C 17 61.825 61.825 63.355 -1.530 25816 2412 1 6 . 1 1 17 17 SER H H 17 8.624 8.624 8.255 0.369 25816 2413 1 6 . 1 1 18 18 SER N N 18 117.903 117.903 115.942 1.961 25816 2414 1 6 . 1 1 18 18 SER HA H 18 4.597 4.597 4.397 0.200 25816 2415 1 6 . 1 1 18 18 SER CA C 18 57.732 57.732 58.908 -1.176 25816 2416 1 6 . 1 1 18 18 SER CB C 18 63.470 63.470 64.874 -1.404 25816 2417 1 6 . 1 1 18 18 SER H H 18 8.385 8.385 7.765 0.620 25816 2418 1 6 . 1 1 19 19 GLY N N 19 109.883 109.883 110.509 -0.626 25816 2419 1 6 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.640 -0.469 25816 2420 1 6 . 1 1 19 19 GLY H H 19 8.214 8.214 8.619 -0.405 25816 2421 1 6 . 1 1 20 20 CYS N N 20 122.167 122.167 120.010 2.157 25816 2422 1 6 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.702 -0.214 25816 2423 1 6 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.324 0.713 25816 2424 1 6 . 1 1 20 20 CYS CB C 20 26.685 26.685 30.588 -3.903 25816 2425 1 6 . 1 1 20 20 CYS H H 20 8.286 8.286 8.507 -0.221 25816 2426 1 6 . 1 1 21 21 THR N N 21 119.387 119.387 118.204 1.183 25816 2427 1 6 . 1 1 21 21 THR HA H 21 4.764 4.764 4.136 0.628 25816 2428 1 6 . 1 1 21 21 THR CA C 21 61.953 61.953 64.092 -2.139 25816 2429 1 6 . 1 1 21 21 THR CB C 21 68.795 68.795 66.969 1.826 25816 2430 1 6 . 1 1 21 21 THR H H 21 8.626 8.626 7.889 0.737 25816 2431 1 6 . 1 1 22 22 THR N N 22 116.611 116.611 115.523 1.088 25816 2432 1 6 . 1 1 22 22 THR HA H 22 4.513 4.513 4.680 -0.167 25816 2433 1 6 . 1 1 22 22 THR CA C 22 58.918 58.918 59.938 -1.020 25816 2434 1 6 . 1 1 22 22 THR CB C 22 71.128 71.128 70.643 0.485 25816 2435 1 6 . 1 1 22 22 THR H H 22 8.343 8.343 7.919 0.424 25816 2436 1 6 . 1 1 23 23 LEU N N 23 122.893 122.893 124.426 -1.533 25816 2437 1 6 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.091 -0.159 25816 2438 1 6 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.931 -1.444 25816 2439 1 6 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.050 -1.785 25816 2440 1 6 . 1 1 23 23 LEU H H 23 9.157 9.157 8.686 0.471 25816 2441 1 6 . 1 1 24 24 SER N N 24 116.771 116.771 117.192 -0.421 25816 2442 1 6 . 1 1 24 24 SER HA H 24 5.173 5.173 4.789 0.384 25816 2443 1 6 . 1 1 24 24 SER CA C 24 55.247 55.247 57.070 -1.823 25816 2444 1 6 . 1 1 24 24 SER CB C 24 64.841 64.841 64.956 -0.114 25816 2445 1 6 . 1 1 24 24 SER H H 24 8.656 8.656 8.049 0.607 25816 2446 1 6 . 1 1 25 25 ILE N N 25 122.747 122.747 125.155 -2.408 25816 2447 1 6 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.836 -0.805 25816 2448 1 6 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.633 0.637 25816 2449 1 6 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.862 -3.213 25816 2450 1 6 . 1 1 25 25 ILE H H 25 9.023 9.023 8.973 0.050 25816 2451 1 6 . 1 1 26 26 GLN N N 26 129.779 129.779 126.365 3.414 25816 2452 1 6 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.402 0.027 25816 2453 1 6 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.888 -2.301 25816 2454 1 6 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.185 1.091 25816 2455 1 6 . 1 1 26 26 GLN H H 26 9.093 9.093 8.583 0.510 25816 2456 1 6 . 1 1 27 27 GLU N N 27 118.722 118.722 117.197 1.525 25816 2457 1 6 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.513 0.451 25816 2458 1 6 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.858 -0.836 25816 2459 1 6 . 1 1 27 27 GLU H H 27 7.479 7.479 7.867 -0.388 25816 2460 1 6 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.359 0.084 25816 2461 1 6 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.294 -0.139 25816 2462 1 6 . 1 1 28 28 VAL CB C 28 33.680 33.680 30.841 2.839 25816 2463 1 6 . 1 1 29 29 THR N N 29 124.459 124.459 117.730 6.729 25816 2464 1 6 . 1 1 29 29 THR HA H 29 4.183 4.183 4.485 -0.302 25816 2465 1 6 . 1 1 29 29 THR CA C 29 62.474 62.474 62.798 -0.324 25816 2466 1 6 . 1 1 29 29 THR CB C 29 68.811 68.811 69.137 -0.326 25816 2467 1 6 . 1 1 29 29 THR H H 29 8.009 8.009 8.466 -0.457 25816 2468 1 6 . 1 1 30 30 GLN N N 30 130.053 130.053 122.126 7.927 25816 2469 1 6 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.505 -0.983 25816 2470 1 6 . 1 1 30 30 GLN CA C 30 58.886 58.886 55.860 3.026 25816 2471 1 6 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.350 -0.045 25816 2472 1 6 . 1 1 30 30 GLN H H 30 9.321 9.321 8.321 1.000 25816 2473 1 6 . 1 1 31 31 THR N N 31 111.234 111.234 108.839 2.395 25816 2474 1 6 . 1 1 31 31 THR HA H 31 5.509 5.509 4.802 0.707 25816 2475 1 6 . 1 1 31 31 THR CA C 31 58.798 58.798 61.117 -2.319 25816 2476 1 6 . 1 1 31 31 THR CB C 31 71.374 71.374 70.093 1.281 25816 2477 1 6 . 1 1 31 31 THR H H 31 7.630 7.630 7.622 0.008 25816 2478 1 6 . 1 1 32 32 TYR N N 32 121.998 121.998 120.465 1.533 25816 2479 1 6 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.735 0.068 25816 2480 1 6 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.923 -3.124 25816 2481 1 6 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.326 -1.608 25816 2482 1 6 . 1 1 32 32 TYR H H 32 9.359 9.359 7.876 1.483 25816 2483 1 6 . 1 1 33 33 THR N N 33 114.039 114.039 116.374 -2.335 25816 2484 1 6 . 1 1 33 33 THR HA H 33 4.390 4.390 4.500 -0.110 25816 2485 1 6 . 1 1 33 33 THR CA C 33 59.896 59.896 59.450 0.446 25816 2486 1 6 . 1 1 33 33 THR CB C 33 69.135 69.135 70.761 -1.627 25816 2487 1 6 . 1 1 33 33 THR H H 33 7.985 7.985 8.237 -0.252 25816 2488 1 6 . 1 1 34 34 GLY N N 34 113.445 113.445 109.675 3.770 25816 2489 1 6 . 1 1 34 34 GLY CA C 34 44.072 44.072 44.044 0.028 25816 2490 1 6 . 1 1 34 34 GLY H H 34 8.698 8.698 8.649 0.049 25816 2491 1 6 . 1 1 35 35 SER N N 35 113.837 113.837 115.854 -2.017 25816 2492 1 6 . 1 1 35 35 SER HA H 35 4.264 4.264 3.933 0.331 25816 2493 1 6 . 1 1 35 35 SER CA C 35 57.651 57.651 61.013 -3.362 25816 2494 1 6 . 1 1 35 35 SER CB C 35 63.056 63.056 62.522 0.534 25816 2495 1 6 . 1 1 35 35 SER H H 35 8.039 8.039 8.442 -0.403 25816 2496 1 6 . 1 1 36 36 ASN N N 36 119.749 119.749 121.999 -2.250 25816 2497 1 6 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.714 -0.130 25816 2498 1 6 . 1 1 36 36 ASN CA C 36 52.781 52.781 52.535 0.246 25816 2499 1 6 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.538 -0.352 25816 2500 1 6 . 1 1 36 36 ASN H H 36 8.767 8.767 8.256 0.511 25816 2501 1 6 . 1 1 37 37 GLY N N 37 110.628 110.628 108.008 2.620 25816 2502 1 6 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.463 -0.878 25816 2503 1 6 . 1 1 37 37 GLY H H 37 8.496 8.496 8.059 0.437 25816 2504 1 6 . 1 1 38 38 GLY N N 38 108.654 108.654 108.865 -0.211 25816 2505 1 6 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.915 -0.815 25816 2506 1 6 . 1 1 38 38 GLY H H 38 7.955 7.955 8.366 -0.411 25816 2507 1 6 . 1 1 39 39 ALA N N 39 123.326 123.326 121.653 1.673 25816 2508 1 6 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.495 -0.284 25816 2509 1 6 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.298 -0.460 25816 2510 1 6 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.531 -2.802 25816 2511 1 6 . 1 1 39 39 ALA H H 39 8.028 8.028 7.808 0.220 25816 2512 1 6 . 1 1 40 40 ASP N N 40 119.573 119.573 121.085 -1.512 25816 2513 1 6 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.313 0.074 25816 2514 1 6 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.351 -1.357 25816 2515 1 6 . 1 1 40 40 ASP CB C 40 39.627 39.627 39.457 0.170 25816 2516 1 6 . 1 1 40 40 ASP H H 40 8.261 8.261 8.322 -0.061 25816 2517 1 6 . 1 1 41 41 LEU N N 41 123.899 123.899 122.914 0.985 25816 2518 1 6 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.559 -0.117 25816 2519 1 6 . 1 1 41 41 LEU CA C 41 52.221 52.221 53.670 -1.449 25816 2520 1 6 . 1 1 41 41 LEU CB C 41 43.009 43.009 46.059 -3.050 25816 2521 1 6 . 1 1 41 41 LEU H H 41 8.663 8.663 7.657 1.006 25816 2522 1 6 . 1 1 42 42 MET N N 42 119.684 119.684 120.300 -0.616 25816 2523 1 6 . 1 1 42 42 MET HA H 42 4.730 4.730 4.464 0.266 25816 2524 1 6 . 1 1 42 42 MET CA C 42 54.695 54.695 56.790 -2.095 25816 2525 1 6 . 1 1 42 42 MET CB C 42 32.194 32.194 31.958 0.236 25816 2526 1 6 . 1 1 42 42 MET H H 42 8.553 8.553 8.570 -0.017 25816 2527 1 6 . 1 1 43 43 GLY N N 43 113.052 113.052 111.482 1.570 25816 2528 1 6 . 1 1 43 43 GLY CA C 43 43.378 43.378 45.941 -2.563 25816 2529 1 6 . 1 1 43 43 GLY H H 43 8.618 8.618 8.412 0.206 25816 2530 1 6 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.794 -0.074 25816 2531 1 6 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.112 -2.881 25816 2532 1 6 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.479 0.474 25816 2533 1 6 . 1 1 45 45 ALA N N 45 120.693 120.693 123.040 -2.347 25816 2534 1 6 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.370 -0.386 25816 2535 1 6 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.287 -0.483 25816 2536 1 6 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.101 -0.134 25816 2537 1 6 . 1 1 45 45 ALA H H 45 7.524 7.524 7.591 -0.067 25816 2538 1 6 . 1 1 46 46 PHE N N 46 122.306 122.306 120.155 2.151 25816 2539 1 6 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.127 -0.165 25816 2540 1 6 . 1 1 46 46 PHE CA C 46 60.326 60.326 61.538 -1.212 25816 2541 1 6 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.704 -0.084 25816 2542 1 6 . 1 1 46 46 PHE H H 46 8.603 8.603 8.331 0.272 25816 2543 1 6 . 1 1 47 47 ALA N N 47 123.253 123.253 120.764 2.489 25816 2544 1 6 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.097 -0.009 25816 2545 1 6 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.685 -0.734 25816 2546 1 6 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.173 -0.526 25816 2547 1 6 . 1 1 47 47 ALA H H 47 9.199 9.199 7.801 1.398 25816 2548 1 6 . 1 1 48 48 ALA N N 48 117.571 117.571 119.018 -1.447 25816 2549 1 6 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.401 -0.098 25816 2550 1 6 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.600 0.087 25816 2551 1 6 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.872 -1.100 25816 2552 1 6 . 1 1 48 48 ALA H H 48 7.262 7.262 7.416 -0.154 25816 2553 1 6 . 1 1 49 49 GLY N N 49 103.229 103.229 107.518 -4.289 25816 2554 1 6 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.809 -1.190 25816 2555 1 6 . 1 1 49 49 GLY H H 49 7.461 7.461 7.760 -0.299 25816 2556 1 6 . 1 1 50 50 LEU N N 50 120.470 120.470 122.000 -1.530 25816 2557 1 6 . 1 1 50 50 LEU HA H 50 3.518 3.518 3.952 -0.434 25816 2558 1 6 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.729 -1.317 25816 2559 1 6 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.665 0.290 25816 2560 1 6 . 1 1 50 50 LEU H H 50 7.224 7.224 7.894 -0.670 25816 2561 1 6 . 1 1 51 51 ARG N N 51 119.645 119.645 125.094 -5.449 25816 2562 1 6 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.182 -1.691 25816 2563 1 6 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.938 -1.122 25816 2564 1 6 . 1 1 51 51 ARG H H 51 8.678 8.678 8.150 0.528 25816 2565 1 6 . 1 1 52 52 VAL N N 52 119.995 119.995 119.293 0.702 25816 2566 1 6 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.709 -0.486 25816 2567 1 6 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.650 0.568 25816 2568 1 6 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.896 -0.747 25816 2569 1 6 . 1 1 52 52 VAL H H 52 8.482 8.482 8.289 0.193 25816 2570 1 6 . 1 1 53 53 GLY N N 53 117.052 117.052 115.544 1.508 25816 2571 1 6 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.811 -1.386 25816 2572 1 6 . 1 1 53 53 GLY H H 53 9.122 9.122 8.977 0.145 25816 2573 1 6 . 1 1 54 54 ASP N N 54 124.203 124.203 120.656 3.547 25816 2574 1 6 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.284 -0.451 25816 2575 1 6 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.032 1.702 25816 2576 1 6 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.051 -1.772 25816 2577 1 6 . 1 1 54 54 ASP H H 54 7.848 7.848 7.602 0.246 25816 2578 1 6 . 1 1 55 55 GLN N N 55 121.703 121.703 120.929 0.774 25816 2579 1 6 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.665 0.202 25816 2580 1 6 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.351 -1.825 25816 2581 1 6 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.611 -1.579 25816 2582 1 6 . 1 1 55 55 GLN H H 55 9.158 9.158 8.705 0.453 25816 2583 1 6 . 1 1 56 56 LEU N N 56 124.733 124.733 127.627 -2.894 25816 2584 1 6 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.663 -0.476 25816 2585 1 6 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.099 1.097 25816 2586 1 6 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.838 -0.825 25816 2587 1 6 . 1 1 56 56 LEU H H 56 8.770 8.770 8.089 0.681 25816 2588 1 6 . 1 1 57 57 VAL N N 57 123.383 123.383 120.146 3.237 25816 2589 1 6 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.326 -0.018 25816 2590 1 6 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.821 0.322 25816 2591 1 6 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.435 0.200 25816 2592 1 6 . 1 1 57 57 VAL H H 57 8.889 8.889 8.178 0.711 25816 2593 1 6 . 1 1 58 58 ARG N N 58 118.094 118.094 118.582 -0.488 25816 2594 1 6 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.020 1.318 25816 2595 1 6 . 1 1 58 58 ARG CA C 58 54.212 54.212 59.029 -4.817 25816 2596 1 6 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.283 5.330 25816 2597 1 6 . 1 1 58 58 ARG H H 58 8.531 8.531 8.132 0.399 25816 2598 1 6 . 1 1 59 59 PHE N N 59 123.332 123.332 119.945 3.387 25816 2599 1 6 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.772 0.163 25816 2600 1 6 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.742 1.114 25816 2601 1 6 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.713 2.258 25816 2602 1 6 . 1 1 59 59 PHE H H 59 9.295 9.295 8.273 1.022 25816 2603 1 6 . 1 1 60 60 ALA N N 60 127.537 127.537 127.198 0.339 25816 2604 1 6 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.690 -0.103 25816 2605 1 6 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.879 -0.505 25816 2606 1 6 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.146 -2.673 25816 2607 1 6 . 1 1 60 60 ALA H H 60 8.356 8.356 7.863 0.493 25816 2608 1 6 . 1 1 61 61 GLY N N 61 103.058 103.058 103.517 -0.459 25816 2609 1 6 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.227 -0.440 25816 2610 1 6 . 1 1 61 61 GLY H H 61 9.178 9.178 7.050 2.128 25816 2611 1 6 . 1 1 62 62 TYR N N 62 120.218 120.218 116.312 3.906 25816 2612 1 6 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.153 0.477 25816 2613 1 6 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.320 -1.743 25816 2614 1 6 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.460 3.432 25816 2615 1 6 . 1 1 62 62 TYR H H 62 7.888 7.888 7.130 0.758 25816 2616 1 6 . 1 1 63 63 THR N N 63 120.933 120.933 111.640 9.293 25816 2617 1 6 . 1 1 63 63 THR HA H 63 4.479 4.479 4.767 -0.288 25816 2618 1 6 . 1 1 63 63 THR CA C 63 62.851 62.851 61.488 1.363 25816 2619 1 6 . 1 1 63 63 THR CB C 63 67.848 67.848 70.739 -2.890 25816 2620 1 6 . 1 1 63 63 THR H H 63 9.108 9.108 7.958 1.150 25816 2621 1 6 . 1 1 64 64 VAL N N 64 121.039 121.039 121.603 -0.564 25816 2622 1 6 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.676 -0.077 25816 2623 1 6 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.087 -1.220 25816 2624 1 6 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.063 -2.059 25816 2625 1 6 . 1 1 64 64 VAL H H 64 7.782 7.782 8.592 -0.810 25816 2626 1 6 . 1 1 65 65 THR N N 65 114.373 114.373 117.260 -2.887 25816 2627 1 6 . 1 1 65 65 THR HA H 65 4.452 4.452 4.437 0.015 25816 2628 1 6 . 1 1 65 65 THR CA C 65 60.536 60.536 62.678 -2.142 25816 2629 1 6 . 1 1 65 65 THR CB C 65 69.037 69.037 69.257 -0.220 25816 2630 1 6 . 1 1 65 65 THR H H 65 9.053 9.053 8.376 0.677 25816 2631 1 6 . 1 1 66 66 GLU N N 66 115.766 115.766 120.179 -4.413 25816 2632 1 6 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.449 0.114 25816 2633 1 6 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.549 -2.162 25816 2634 1 6 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.179 0.386 25816 2635 1 6 . 1 1 66 66 GLU H H 66 7.345 7.345 7.985 -0.640 25816 2636 1 6 . 1 1 67 67 LEU N N 67 124.674 124.674 116.020 8.654 25816 2637 1 6 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.537 -0.603 25816 2638 1 6 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.469 0.066 25816 2639 1 6 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.289 -0.236 25816 2640 1 6 . 1 1 67 67 LEU H H 67 8.906 8.906 8.627 0.279 25816 2641 1 6 . 1 1 68 68 ALA N N 68 120.493 120.493 121.736 -1.243 25816 2642 1 6 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.959 0.177 25816 2643 1 6 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.775 -0.101 25816 2644 1 6 . 1 1 68 68 ALA CB C 68 16.521 16.521 18.173 -1.652 25816 2645 1 6 . 1 1 68 68 ALA H H 68 9.022 9.022 8.098 0.924 25816 2646 1 6 . 1 1 69 69 ALA N N 69 119.695 119.695 120.749 -1.054 25816 2647 1 6 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.187 -0.025 25816 2648 1 6 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.613 -0.593 25816 2649 1 6 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.655 -0.992 25816 2650 1 6 . 1 1 69 69 ALA H H 69 7.258 7.258 7.669 -0.411 25816 2651 1 6 . 1 1 70 70 PHE N N 70 119.274 119.274 119.572 -0.298 25816 2652 1 6 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.237 -0.278 25816 2653 1 6 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.015 -0.055 25816 2654 1 6 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.383 -0.951 25816 2655 1 6 . 1 1 70 70 PHE H H 70 7.769 7.769 7.501 0.268 25816 2656 1 6 . 1 1 71 71 ASN N N 71 117.363 117.363 117.675 -0.312 25816 2657 1 6 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.369 -0.267 25816 2658 1 6 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.754 -2.057 25816 2659 1 6 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.666 -2.593 25816 2660 1 6 . 1 1 71 71 ASN H H 71 8.801 8.801 8.320 0.481 25816 2661 1 6 . 1 1 72 72 THR N N 72 119.746 119.746 114.976 4.770 25816 2662 1 6 . 1 1 72 72 THR HA H 72 4.220 4.220 4.051 0.169 25816 2663 1 6 . 1 1 72 72 THR CA C 72 65.927 65.927 66.144 -0.217 25816 2664 1 6 . 1 1 72 72 THR CB C 72 67.600 67.600 68.776 -1.176 25816 2665 1 6 . 1 1 72 72 THR H H 72 8.109 8.109 7.480 0.629 25816 2666 1 6 . 1 1 73 73 VAL N N 73 123.156 123.156 122.715 0.441 25816 2667 1 6 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.545 -0.090 25816 2668 1 6 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.739 0.417 25816 2669 1 6 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.541 -0.205 25816 2670 1 6 . 1 1 73 73 VAL H H 73 7.744 7.744 7.752 -0.008 25816 2671 1 6 . 1 1 74 74 VAL N N 74 120.420 120.420 119.106 1.314 25816 2672 1 6 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.498 -0.132 25816 2673 1 6 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.759 -0.161 25816 2674 1 6 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.678 -0.193 25816 2675 1 6 . 1 1 74 74 VAL H H 74 8.154 8.154 8.010 0.144 25816 2676 1 6 . 1 1 75 75 ALA N N 75 120.206 120.206 120.225 -0.019 25816 2677 1 6 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.008 -0.013 25816 2678 1 6 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.105 -0.105 25816 2679 1 6 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.875 -1.911 25816 2680 1 6 . 1 1 75 75 ALA H H 75 7.788 7.788 7.515 0.273 25816 2681 1 6 . 1 1 76 76 ARG N N 76 114.701 114.701 116.633 -1.932 25816 2682 1 6 . 1 1 76 76 ARG HA H 76 4.085 4.085 3.911 0.174 25816 2683 1 6 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.897 -0.915 25816 2684 1 6 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.037 0.647 25816 2685 1 6 . 1 1 76 76 ARG H H 76 7.705 7.705 7.917 -0.212 25816 2686 1 6 . 1 1 77 77 HIS N N 77 112.695 112.695 118.136 -5.441 25816 2687 1 6 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.483 0.327 25816 2688 1 6 . 1 1 77 77 HIS CA C 77 56.161 56.161 55.921 0.240 25816 2689 1 6 . 1 1 77 77 HIS CB C 77 31.033 31.033 28.257 2.776 25816 2690 1 6 . 1 1 77 77 HIS H H 77 8.123 8.123 7.509 0.614 25816 2691 1 6 . 1 1 78 78 VAL N N 78 119.219 119.219 120.235 -1.016 25816 2692 1 6 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.103 -0.210 25816 2693 1 6 . 1 1 78 78 VAL CA C 78 63.565 63.565 60.867 2.698 25816 2694 1 6 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.995 -2.867 25816 2695 1 6 . 1 1 78 78 VAL H H 78 8.034 8.034 7.630 0.404 25816 2696 1 6 . 1 1 79 79 ARG N N 79 126.908 126.908 119.996 6.912 25816 2697 1 6 . 1 1 79 79 ARG CA C 79 51.361 51.361 53.986 -2.625 25816 2698 1 6 . 1 1 79 79 ARG CB C 79 30.191 30.191 29.983 0.208 25816 2699 1 6 . 1 1 79 79 ARG H H 79 7.023 7.023 7.733 -0.710 25816 2700 1 6 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.412 -0.387 25816 2701 1 6 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.167 -0.597 25816 2702 1 6 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.994 -0.782 25816 2703 1 6 . 1 1 81 81 SER N N 81 115.039 115.039 112.701 2.338 25816 2704 1 6 . 1 1 81 81 SER HA H 81 4.047 4.047 4.535 -0.488 25816 2705 1 6 . 1 1 81 81 SER CA C 81 60.713 60.713 58.361 2.352 25816 2706 1 6 . 1 1 81 81 SER H H 81 8.210 8.210 7.726 0.484 25816 2707 1 6 . 1 1 82 82 ALA N N 82 123.546 123.546 126.000 -2.454 25816 2708 1 6 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.707 -0.361 25816 2709 1 6 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.056 0.450 25816 2710 1 6 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.657 -2.562 25816 2711 1 6 . 1 1 82 82 ALA H H 82 7.770 7.770 7.789 -0.019 25816 2712 1 6 . 1 1 83 83 SER N N 83 116.753 116.753 120.030 -3.277 25816 2713 1 6 . 1 1 83 83 SER HA H 83 5.129 5.129 4.837 0.292 25816 2714 1 6 . 1 1 83 83 SER CA C 83 56.582 56.582 57.342 -0.760 25816 2715 1 6 . 1 1 83 83 SER CB C 83 62.554 62.554 63.119 -0.565 25816 2716 1 6 . 1 1 83 83 SER H H 83 8.524 8.524 8.597 -0.073 25816 2717 1 6 . 1 1 84 84 ILE N N 84 126.985 126.985 126.026 0.959 25816 2718 1 6 . 1 1 84 84 ILE CA C 84 54.786 54.786 56.690 -1.904 25816 2719 1 6 . 1 1 84 84 ILE CB C 84 38.424 38.424 37.639 0.785 25816 2720 1 6 . 1 1 84 84 ILE H H 84 9.599 9.599 7.760 1.839 25816 2721 1 6 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.510 0.435 25816 2722 1 6 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.609 -1.055 25816 2723 1 6 . 1 1 85 85 PRO CB C 85 31.427 31.427 30.887 0.540 25816 2724 1 6 . 1 1 86 86 VAL N N 86 123.811 123.811 126.910 -3.099 25816 2725 1 6 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.331 0.518 25816 2726 1 6 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.199 -1.426 25816 2727 1 6 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.670 -0.026 25816 2728 1 6 . 1 1 86 86 VAL H H 86 9.033 9.033 7.852 1.181 25816 2729 1 6 . 1 1 87 87 VAL N N 87 127.839 127.839 127.381 0.458 25816 2730 1 6 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.229 0.743 25816 2731 1 6 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.908 -1.215 25816 2732 1 6 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.744 0.674 25816 2733 1 6 . 1 1 87 87 VAL H H 87 9.132 9.132 8.793 0.339 25816 2734 1 6 . 1 1 88 88 PHE N N 88 127.301 127.301 129.461 -2.160 25816 2735 1 6 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.576 0.042 25816 2736 1 6 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.168 -0.957 25816 2737 1 6 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.465 -1.463 25816 2738 1 6 . 1 1 88 88 PHE H H 88 9.248 9.248 8.053 1.196 25816 2739 1 6 . 1 1 89 89 SER N N 89 113.734 113.734 119.904 -6.170 25816 2740 1 6 . 1 1 89 89 SER HA H 89 5.336 5.336 4.708 0.628 25816 2741 1 6 . 1 1 89 89 SER CA C 89 54.452 54.452 56.510 -2.058 25816 2742 1 6 . 1 1 89 89 SER CB C 89 64.474 64.474 65.775 -1.301 25816 2743 1 6 . 1 1 89 89 SER H H 89 9.689 9.689 7.980 1.709 25816 2744 1 6 . 1 1 90 90 ARG N N 90 128.114 128.114 124.287 3.827 25816 2745 1 6 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.490 0.257 25816 2746 1 6 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.142 -1.020 25816 2747 1 6 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.970 1.366 25816 2748 1 6 . 1 1 90 90 ARG H H 90 8.561 8.561 7.656 0.905 25816 2749 1 6 . 1 1 91 91 ASP N N 91 129.790 129.790 126.231 3.559 25816 2750 1 6 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.382 -0.113 25816 2751 1 6 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.877 -0.376 25816 2752 1 6 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.981 0.100 25816 2753 1 6 . 1 1 91 91 ASP H H 91 9.461 9.461 8.758 0.703 25816 2754 1 6 . 1 1 92 92 GLY N N 92 102.404 102.404 102.332 0.072 25816 2755 1 6 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.781 -0.476 25816 2756 1 6 . 1 1 92 92 GLY H H 92 8.391 8.391 8.396 -0.005 25816 2757 1 6 . 1 1 93 93 VAL N N 93 123.090 123.090 121.824 1.266 25816 2758 1 6 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.839 0.163 25816 2759 1 6 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.300 -2.034 25816 2760 1 6 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.614 -0.796 25816 2761 1 6 . 1 1 93 93 VAL H H 93 7.682 7.682 7.137 0.545 25816 2762 1 6 . 1 1 94 94 VAL N N 94 128.414 128.414 126.636 1.778 25816 2763 1 6 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.108 0.026 25816 2764 1 6 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.495 0.846 25816 2765 1 6 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.396 -2.280 25816 2766 1 6 . 1 1 94 94 VAL H H 94 8.400 8.400 8.299 0.101 25816 2767 1 6 . 1 1 95 95 MET N N 95 129.196 129.196 128.864 0.332 25816 2768 1 6 . 1 1 95 95 MET HA H 95 4.352 4.352 4.879 -0.527 25816 2769 1 6 . 1 1 95 95 MET CA C 95 53.674 53.674 54.276 -0.602 25816 2770 1 6 . 1 1 95 95 MET CB C 95 36.104 36.104 37.397 -1.293 25816 2771 1 6 . 1 1 95 95 MET H H 95 9.100 9.100 8.379 0.721 25816 2772 1 6 . 1 1 96 96 SER N N 96 111.540 111.540 117.003 -5.463 25816 2773 1 6 . 1 1 96 96 SER HA H 96 5.469 5.469 4.863 0.606 25816 2774 1 6 . 1 1 96 96 SER CA C 96 55.830 55.830 57.648 -1.819 25816 2775 1 6 . 1 1 96 96 SER CB C 96 65.471 65.471 64.384 1.087 25816 2776 1 6 . 1 1 96 96 SER H H 96 8.004 8.004 8.441 -0.437 25816 2777 1 6 . 1 1 97 97 ALA N N 97 124.079 124.079 129.729 -5.650 25816 2778 1 6 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.802 -0.014 25816 2779 1 6 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.887 -1.488 25816 2780 1 6 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.893 0.651 25816 2781 1 6 . 1 1 97 97 ALA H H 97 9.145 9.145 8.330 0.815 25816 2782 1 6 . 1 1 98 98 THR N N 98 117.342 117.342 118.539 -1.197 25816 2783 1 6 . 1 1 98 98 THR HA H 98 4.823 4.823 4.674 0.149 25816 2784 1 6 . 1 1 98 98 THR CA C 98 61.053 61.053 61.973 -0.920 25816 2785 1 6 . 1 1 98 98 THR CB C 98 69.913 69.913 69.723 0.190 25816 2786 1 6 . 1 1 98 98 THR H H 98 8.754 8.754 8.402 0.352 25816 2787 1 6 . 1 1 99 99 ILE N N 99 125.689 125.689 123.337 2.352 25816 2788 1 6 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.589 -0.478 25816 2789 1 6 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.284 -0.915 25816 2790 1 6 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.220 0.471 25816 2791 1 6 . 1 1 99 99 ILE H H 99 8.868 8.868 7.888 0.980 25816 2792 1 6 . 1 1 100 100 VAL N N 100 129.871 129.871 123.828 6.043 25816 2793 1 6 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.669 -0.003 25816 2794 1 6 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.134 -0.267 25816 2795 1 6 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.438 -1.828 25816 2796 1 6 . 1 1 100 100 VAL H H 100 8.818 8.818 8.477 0.341 25816 2797 1 6 . 1 1 101 101 VAL N N 101 128.299 128.299 128.099 0.200 25816 2798 1 6 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.243 -0.874 25816 2799 1 6 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.520 1.807 25816 2800 1 6 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.001 -1.027 25816 2801 1 6 . 1 1 101 101 VAL H H 101 8.795 8.795 7.713 1.082 25816 2802 1 6 . 1 1 102 102 GLY N N 102 115.466 115.466 115.894 -0.428 25816 2803 1 6 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.430 -0.750 25816 2804 1 6 . 1 1 102 102 GLY H H 102 8.393 8.393 8.335 0.058 25816 2805 1 6 . 1 1 103 103 GLU N N 103 119.459 119.459 123.649 -4.190 25816 2806 1 6 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.577 0.378 25816 2807 1 6 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.398 -1.652 25816 2808 1 6 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.376 1.825 25816 2809 1 6 . 1 1 103 103 GLU H H 103 8.386 8.386 8.180 0.206 25816 2810 1 6 . 1 1 104 104 LEU N N 104 123.881 123.881 122.665 1.216 25816 2811 1 6 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.740 -0.040 25816 2812 1 6 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.849 -3.282 25816 2813 1 6 . 1 1 104 104 LEU CB C 104 44.058 44.058 43.230 0.828 25816 2814 1 6 . 1 1 104 104 LEU H H 104 8.735 8.735 8.293 0.442 25816 2815 1 7 . 1 1 2 2 LEU N N 2 122.611 122.611 121.710 0.901 25816 2816 1 7 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.584 -0.192 25816 2817 1 7 . 1 1 2 2 LEU CA C 2 54.332 54.332 56.146 -1.814 25816 2818 1 7 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.016 -1.699 25816 2819 1 7 . 1 1 2 2 LEU H H 2 8.535 8.535 8.458 0.077 25816 2820 1 7 . 1 1 3 3 THR N N 3 112.475 112.475 118.426 -5.951 25816 2821 1 7 . 1 1 3 3 THR HA H 3 4.777 4.777 4.798 -0.021 25816 2822 1 7 . 1 1 3 3 THR CA C 3 59.259 59.259 60.954 -1.695 25816 2823 1 7 . 1 1 3 3 THR CB C 3 70.185 70.185 70.953 -0.768 25816 2824 1 7 . 1 1 3 3 THR H H 3 7.903 7.903 8.227 -0.324 25816 2825 1 7 . 1 1 4 4 ARG N N 4 120.183 120.183 118.992 1.191 25816 2826 1 7 . 1 1 4 4 ARG H H 4 8.809 8.809 8.378 0.431 25816 2827 1 7 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.547 -0.175 25816 2828 1 7 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.500 2.517 25816 2829 1 7 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.538 -0.950 25816 2830 1 7 . 1 1 6 6 TYR N N 6 120.727 120.727 116.887 3.840 25816 2831 1 7 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.711 -0.077 25816 2832 1 7 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.489 -1.413 25816 2833 1 7 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.016 0.038 25816 2834 1 7 . 1 1 6 6 TYR H H 6 7.530 7.530 8.293 -0.763 25816 2835 1 7 . 1 1 7 7 LEU N N 7 126.575 126.575 121.427 5.148 25816 2836 1 7 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.300 1.107 25816 2837 1 7 . 1 1 7 7 LEU H H 7 8.500 8.500 8.655 -0.155 25816 2838 1 7 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.047 0.660 25816 2839 1 7 . 1 1 9 9 PHE N N 9 114.612 114.612 116.507 -1.895 25816 2840 1 7 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.850 0.508 25816 2841 1 7 . 1 1 9 9 PHE CA C 9 55.262 55.262 54.770 0.492 25816 2842 1 7 . 1 1 9 9 PHE CB C 9 39.454 39.454 39.862 -0.409 25816 2843 1 7 . 1 1 9 9 PHE H H 9 7.102 7.102 6.965 0.137 25816 2844 1 7 . 1 1 10 10 ARG N N 10 117.800 117.800 120.806 -3.006 25816 2845 1 7 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.704 -0.033 25816 2846 1 7 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.327 -1.928 25816 2847 1 7 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.369 0.446 25816 2848 1 7 . 1 1 10 10 ARG H H 10 8.206 8.206 8.769 -0.563 25816 2849 1 7 . 1 1 11 11 VAL N N 11 117.216 117.216 123.236 -6.020 25816 2850 1 7 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.821 0.346 25816 2851 1 7 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.241 -2.051 25816 2852 1 7 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.430 -0.555 25816 2853 1 7 . 1 1 11 11 VAL H H 11 8.601 8.601 8.520 0.081 25816 2854 1 7 . 1 1 12 12 ALA N N 12 123.025 123.025 133.001 -9.976 25816 2855 1 7 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.802 -0.222 25816 2856 1 7 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.958 -1.415 25816 2857 1 7 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.805 0.977 25816 2858 1 7 . 1 1 12 12 ALA H H 12 8.861 8.861 8.137 0.724 25816 2859 1 7 . 1 1 13 13 VAL N N 13 121.395 121.395 123.735 -2.340 25816 2860 1 7 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.207 0.344 25816 2861 1 7 . 1 1 13 13 VAL CA C 13 61.283 61.283 60.934 0.349 25816 2862 1 7 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.864 -1.170 25816 2863 1 7 . 1 1 13 13 VAL H H 13 8.585 8.585 8.553 0.032 25816 2864 1 7 . 1 1 14 14 GLY N N 14 117.546 117.546 116.429 1.117 25816 2865 1 7 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.475 -2.091 25816 2866 1 7 . 1 1 14 14 GLY H H 14 8.789 8.789 8.105 0.684 25816 2867 1 7 . 1 1 15 15 ARG N N 15 120.075 120.075 120.596 -0.521 25816 2868 1 7 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.703 0.407 25816 2869 1 7 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.640 -0.747 25816 2870 1 7 . 1 1 15 15 ARG CB C 15 32.756 32.756 31.676 1.080 25816 2871 1 7 . 1 1 15 15 ARG H H 15 8.299 8.299 8.416 -0.117 25816 2872 1 7 . 1 1 16 16 ASP N N 16 123.872 123.872 122.415 1.457 25816 2873 1 7 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.803 -0.058 25816 2874 1 7 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.825 -1.454 25816 2875 1 7 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.347 -1.595 25816 2876 1 7 . 1 1 16 16 ASP H H 16 8.619 8.619 8.424 0.195 25816 2877 1 7 . 1 1 17 17 SER N N 17 114.309 114.309 115.156 -0.847 25816 2878 1 7 . 1 1 17 17 SER HA H 17 4.196 4.196 4.256 -0.060 25816 2879 1 7 . 1 1 17 17 SER CA C 17 59.950 59.950 60.848 -0.898 25816 2880 1 7 . 1 1 17 17 SER CB C 17 61.825 61.825 63.045 -1.220 25816 2881 1 7 . 1 1 17 17 SER H H 17 8.624 8.624 8.661 -0.037 25816 2882 1 7 . 1 1 18 18 SER N N 18 117.903 117.903 114.538 3.365 25816 2883 1 7 . 1 1 18 18 SER HA H 18 4.597 4.597 4.416 0.181 25816 2884 1 7 . 1 1 18 18 SER CA C 18 57.732 57.732 58.904 -1.172 25816 2885 1 7 . 1 1 18 18 SER CB C 18 63.470 63.470 63.807 -0.337 25816 2886 1 7 . 1 1 18 18 SER H H 18 8.385 8.385 8.128 0.257 25816 2887 1 7 . 1 1 19 19 GLY N N 19 109.883 109.883 110.499 -0.616 25816 2888 1 7 . 1 1 19 19 GLY CA C 19 44.171 44.171 46.067 -1.896 25816 2889 1 7 . 1 1 19 19 GLY H H 19 8.214 8.214 7.900 0.314 25816 2890 1 7 . 1 1 20 20 CYS N N 20 122.167 122.167 120.533 1.634 25816 2891 1 7 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.498 -0.010 25816 2892 1 7 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.698 0.339 25816 2893 1 7 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.703 -2.018 25816 2894 1 7 . 1 1 20 20 CYS H H 20 8.286 8.286 8.294 -0.008 25816 2895 1 7 . 1 1 21 21 THR N N 21 119.387 119.387 113.989 5.398 25816 2896 1 7 . 1 1 21 21 THR HA H 21 4.764 4.764 3.993 0.771 25816 2897 1 7 . 1 1 21 21 THR CA C 21 61.953 61.953 63.792 -1.839 25816 2898 1 7 . 1 1 21 21 THR CB C 21 68.795 68.795 67.240 1.555 25816 2899 1 7 . 1 1 21 21 THR H H 21 8.626 8.626 7.961 0.665 25816 2900 1 7 . 1 1 22 22 THR N N 22 116.611 116.611 115.131 1.480 25816 2901 1 7 . 1 1 22 22 THR HA H 22 4.513 4.513 4.764 -0.251 25816 2902 1 7 . 1 1 22 22 THR CA C 22 58.918 58.918 60.039 -1.121 25816 2903 1 7 . 1 1 22 22 THR CB C 22 71.128 71.128 71.092 0.036 25816 2904 1 7 . 1 1 22 22 THR H H 22 8.343 8.343 7.654 0.689 25816 2905 1 7 . 1 1 23 23 LEU N N 23 122.893 122.893 123.611 -0.718 25816 2906 1 7 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.185 -0.253 25816 2907 1 7 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.541 -1.054 25816 2908 1 7 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.174 -2.909 25816 2909 1 7 . 1 1 23 23 LEU H H 23 9.157 9.157 8.624 0.533 25816 2910 1 7 . 1 1 24 24 SER N N 24 116.771 116.771 114.974 1.797 25816 2911 1 7 . 1 1 24 24 SER HA H 24 5.173 5.173 4.762 0.411 25816 2912 1 7 . 1 1 24 24 SER CA C 24 55.247 55.247 57.095 -1.848 25816 2913 1 7 . 1 1 24 24 SER CB C 24 64.841 64.841 65.056 -0.215 25816 2914 1 7 . 1 1 24 24 SER H H 24 8.656 8.656 8.012 0.644 25816 2915 1 7 . 1 1 25 25 ILE N N 25 122.747 122.747 125.882 -3.135 25816 2916 1 7 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.826 -0.795 25816 2917 1 7 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.688 2.582 25816 2918 1 7 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.026 -2.377 25816 2919 1 7 . 1 1 25 25 ILE H H 25 9.023 9.023 8.710 0.313 25816 2920 1 7 . 1 1 26 26 GLN N N 26 129.779 129.779 125.645 4.134 25816 2921 1 7 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.444 -0.015 25816 2922 1 7 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.709 -2.122 25816 2923 1 7 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.277 0.999 25816 2924 1 7 . 1 1 26 26 GLN H H 26 9.093 9.093 8.503 0.590 25816 2925 1 7 . 1 1 27 27 GLU N N 27 118.722 118.722 117.297 1.425 25816 2926 1 7 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.293 -0.329 25816 2927 1 7 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.721 -0.699 25816 2928 1 7 . 1 1 27 27 GLU H H 27 7.479 7.479 8.033 -0.554 25816 2929 1 7 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.433 0.010 25816 2930 1 7 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.169 -0.014 25816 2931 1 7 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.508 1.173 25816 2932 1 7 . 1 1 29 29 THR N N 29 124.459 124.459 118.335 6.124 25816 2933 1 7 . 1 1 29 29 THR HA H 29 4.183 4.183 4.710 -0.527 25816 2934 1 7 . 1 1 29 29 THR CA C 29 62.474 62.474 62.340 0.134 25816 2935 1 7 . 1 1 29 29 THR CB C 29 68.811 68.811 69.493 -0.682 25816 2936 1 7 . 1 1 29 29 THR H H 29 8.009 8.009 8.478 -0.469 25816 2937 1 7 . 1 1 30 30 GLN N N 30 130.053 130.053 120.530 9.523 25816 2938 1 7 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.349 -0.827 25816 2939 1 7 . 1 1 30 30 GLN CA C 30 58.886 58.886 55.233 3.652 25816 2940 1 7 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.377 -0.072 25816 2941 1 7 . 1 1 30 30 GLN H H 30 9.321 9.321 8.235 1.086 25816 2942 1 7 . 1 1 31 31 THR N N 31 111.234 111.234 109.196 2.038 25816 2943 1 7 . 1 1 31 31 THR HA H 31 5.509 5.509 4.495 1.014 25816 2944 1 7 . 1 1 31 31 THR CA C 31 58.798 58.798 61.260 -2.462 25816 2945 1 7 . 1 1 31 31 THR CB C 31 71.374 71.374 70.160 1.214 25816 2946 1 7 . 1 1 31 31 THR H H 31 7.630 7.630 7.523 0.107 25816 2947 1 7 . 1 1 32 32 TYR N N 32 121.998 121.998 118.092 3.906 25816 2948 1 7 . 1 1 32 32 TYR HA H 32 4.803 4.803 5.283 -0.480 25816 2949 1 7 . 1 1 32 32 TYR CA C 32 54.799 54.799 56.292 -1.493 25816 2950 1 7 . 1 1 32 32 TYR CB C 32 39.718 39.718 40.514 -0.796 25816 2951 1 7 . 1 1 32 32 TYR H H 32 9.359 9.359 7.240 2.119 25816 2952 1 7 . 1 1 33 33 THR N N 33 114.039 114.039 115.707 -1.668 25816 2953 1 7 . 1 1 33 33 THR HA H 33 4.390 4.390 4.545 -0.155 25816 2954 1 7 . 1 1 33 33 THR CA C 33 59.896 59.896 61.532 -1.636 25816 2955 1 7 . 1 1 33 33 THR CB C 33 69.135 69.135 71.040 -1.905 25816 2956 1 7 . 1 1 33 33 THR H H 33 7.985 7.985 9.201 -1.216 25816 2957 1 7 . 1 1 34 34 GLY N N 34 113.445 113.445 109.109 4.336 25816 2958 1 7 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.509 -1.437 25816 2959 1 7 . 1 1 34 34 GLY H H 34 8.698 8.698 8.529 0.169 25816 2960 1 7 . 1 1 35 35 SER N N 35 113.837 113.837 118.816 -4.979 25816 2961 1 7 . 1 1 35 35 SER HA H 35 4.264 4.264 4.479 -0.215 25816 2962 1 7 . 1 1 35 35 SER CA C 35 57.651 57.651 58.982 -1.331 25816 2963 1 7 . 1 1 35 35 SER CB C 35 63.056 63.056 63.516 -0.460 25816 2964 1 7 . 1 1 35 35 SER H H 35 8.039 8.039 8.268 -0.229 25816 2965 1 7 . 1 1 36 36 ASN N N 36 119.749 119.749 120.336 -0.587 25816 2966 1 7 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.873 -0.289 25816 2967 1 7 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.240 -1.459 25816 2968 1 7 . 1 1 36 36 ASN CB C 36 37.186 37.186 41.189 -4.003 25816 2969 1 7 . 1 1 36 36 ASN H H 36 8.767 8.767 8.986 -0.219 25816 2970 1 7 . 1 1 37 37 GLY N N 37 110.628 110.628 106.559 4.069 25816 2971 1 7 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.764 -0.179 25816 2972 1 7 . 1 1 37 37 GLY H H 37 8.496 8.496 8.602 -0.106 25816 2973 1 7 . 1 1 38 38 GLY N N 38 108.654 108.654 108.178 0.476 25816 2974 1 7 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.878 -0.778 25816 2975 1 7 . 1 1 38 38 GLY H H 38 7.955 7.955 8.144 -0.189 25816 2976 1 7 . 1 1 39 39 ALA N N 39 123.326 123.326 126.758 -3.432 25816 2977 1 7 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.348 -0.137 25816 2978 1 7 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.484 -1.646 25816 2979 1 7 . 1 1 39 39 ALA CB C 39 18.729 18.729 19.764 -1.035 25816 2980 1 7 . 1 1 39 39 ALA H H 39 8.028 8.028 8.450 -0.422 25816 2981 1 7 . 1 1 40 40 ASP N N 40 119.573 119.573 118.299 1.274 25816 2982 1 7 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.515 -0.128 25816 2983 1 7 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.612 -0.618 25816 2984 1 7 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.134 -0.507 25816 2985 1 7 . 1 1 40 40 ASP H H 40 8.261 8.261 8.115 0.146 25816 2986 1 7 . 1 1 41 41 LEU N N 41 123.899 123.899 122.802 1.097 25816 2987 1 7 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.388 0.054 25816 2988 1 7 . 1 1 41 41 LEU CA C 41 52.221 52.221 56.099 -3.877 25816 2989 1 7 . 1 1 41 41 LEU CB C 41 43.009 43.009 43.850 -0.841 25816 2990 1 7 . 1 1 41 41 LEU H H 41 8.663 8.663 8.640 0.023 25816 2991 1 7 . 1 1 42 42 MET N N 42 119.684 119.684 117.306 2.378 25816 2992 1 7 . 1 1 42 42 MET HA H 42 4.730 4.730 4.460 0.270 25816 2993 1 7 . 1 1 42 42 MET CA C 42 54.695 54.695 56.087 -1.392 25816 2994 1 7 . 1 1 42 42 MET CB C 42 32.194 32.194 34.224 -2.030 25816 2995 1 7 . 1 1 42 42 MET H H 42 8.553 8.553 7.996 0.557 25816 2996 1 7 . 1 1 43 43 GLY N N 43 113.052 113.052 110.531 2.521 25816 2997 1 7 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.583 -3.205 25816 2998 1 7 . 1 1 43 43 GLY H H 43 8.618 8.618 8.578 0.040 25816 2999 1 7 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.656 0.064 25816 3000 1 7 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.138 -2.907 25816 3001 1 7 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.380 0.573 25816 3002 1 7 . 1 1 45 45 ALA N N 45 120.693 120.693 122.944 -2.251 25816 3003 1 7 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.143 -0.159 25816 3004 1 7 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.921 -1.117 25816 3005 1 7 . 1 1 45 45 ALA CB C 45 17.967 17.967 17.968 -0.001 25816 3006 1 7 . 1 1 45 45 ALA H H 45 7.524 7.524 7.652 -0.128 25816 3007 1 7 . 1 1 46 46 PHE N N 46 122.306 122.306 119.057 3.249 25816 3008 1 7 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.171 -0.209 25816 3009 1 7 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.116 0.210 25816 3010 1 7 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.948 -0.328 25816 3011 1 7 . 1 1 46 46 PHE H H 46 8.603 8.603 8.300 0.303 25816 3012 1 7 . 1 1 47 47 ALA N N 47 123.253 123.253 121.332 1.921 25816 3013 1 7 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.126 -0.038 25816 3014 1 7 . 1 1 47 47 ALA CA C 47 53.951 53.951 53.887 0.064 25816 3015 1 7 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.564 -0.917 25816 3016 1 7 . 1 1 47 47 ALA H H 47 9.199 9.199 7.888 1.311 25816 3017 1 7 . 1 1 48 48 ALA N N 48 117.571 117.571 118.787 -1.216 25816 3018 1 7 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.216 0.087 25816 3019 1 7 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.861 -0.174 25816 3020 1 7 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.167 -1.395 25816 3021 1 7 . 1 1 48 48 ALA H H 48 7.262 7.262 7.452 -0.190 25816 3022 1 7 . 1 1 49 49 GLY N N 49 103.229 103.229 107.993 -4.764 25816 3023 1 7 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.711 -1.092 25816 3024 1 7 . 1 1 49 49 GLY H H 49 7.461 7.461 7.576 -0.115 25816 3025 1 7 . 1 1 50 50 LEU N N 50 120.470 120.470 121.780 -1.310 25816 3026 1 7 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.006 -0.488 25816 3027 1 7 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.591 -1.179 25816 3028 1 7 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.569 0.386 25816 3029 1 7 . 1 1 50 50 LEU H H 50 7.224 7.224 7.775 -0.551 25816 3030 1 7 . 1 1 51 51 ARG N N 51 119.645 119.645 124.424 -4.779 25816 3031 1 7 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.819 -1.328 25816 3032 1 7 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.967 -1.151 25816 3033 1 7 . 1 1 51 51 ARG H H 51 8.678 8.678 7.914 0.764 25816 3034 1 7 . 1 1 52 52 VAL N N 52 119.995 119.995 119.125 0.870 25816 3035 1 7 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.652 -0.429 25816 3036 1 7 . 1 1 52 52 VAL CA C 52 64.218 64.218 64.075 0.144 25816 3037 1 7 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.691 -0.542 25816 3038 1 7 . 1 1 52 52 VAL H H 52 8.482 8.482 8.321 0.161 25816 3039 1 7 . 1 1 53 53 GLY N N 53 117.052 117.052 115.777 1.275 25816 3040 1 7 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.655 -1.230 25816 3041 1 7 . 1 1 53 53 GLY H H 53 9.122 9.122 8.843 0.279 25816 3042 1 7 . 1 1 54 54 ASP N N 54 124.203 124.203 120.899 3.304 25816 3043 1 7 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.939 -0.106 25816 3044 1 7 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.209 1.525 25816 3045 1 7 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.453 -2.175 25816 3046 1 7 . 1 1 54 54 ASP H H 54 7.848 7.848 7.753 0.095 25816 3047 1 7 . 1 1 55 55 GLN N N 55 121.703 121.703 121.983 -0.280 25816 3048 1 7 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.518 0.349 25816 3049 1 7 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.378 -1.852 25816 3050 1 7 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.346 -0.314 25816 3051 1 7 . 1 1 55 55 GLN H H 55 9.158 9.158 8.219 0.939 25816 3052 1 7 . 1 1 56 56 LEU N N 56 124.733 124.733 125.853 -1.120 25816 3053 1 7 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.525 -0.338 25816 3054 1 7 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.212 0.984 25816 3055 1 7 . 1 1 56 56 LEU CB C 56 42.013 42.013 40.391 1.622 25816 3056 1 7 . 1 1 56 56 LEU H H 56 8.770 8.770 8.591 0.179 25816 3057 1 7 . 1 1 57 57 VAL N N 57 123.383 123.383 121.817 1.566 25816 3058 1 7 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.559 -0.251 25816 3059 1 7 . 1 1 57 57 VAL CA C 57 63.143 63.143 60.196 2.947 25816 3060 1 7 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.236 -0.601 25816 3061 1 7 . 1 1 57 57 VAL H H 57 8.889 8.889 7.834 1.055 25816 3062 1 7 . 1 1 58 58 ARG N N 58 118.094 118.094 119.203 -1.109 25816 3063 1 7 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.528 0.810 25816 3064 1 7 . 1 1 58 58 ARG CA C 58 54.212 54.212 56.220 -2.008 25816 3065 1 7 . 1 1 58 58 ARG CB C 58 34.613 34.613 33.387 1.226 25816 3066 1 7 . 1 1 58 58 ARG H H 58 8.531 8.531 8.557 -0.026 25816 3067 1 7 . 1 1 59 59 PHE N N 59 123.332 123.332 119.625 3.707 25816 3068 1 7 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.566 0.369 25816 3069 1 7 . 1 1 59 59 PHE CA C 59 56.856 56.856 57.138 -0.282 25816 3070 1 7 . 1 1 59 59 PHE CB C 59 42.971 42.971 39.316 3.655 25816 3071 1 7 . 1 1 59 59 PHE H H 59 9.295 9.295 7.709 1.586 25816 3072 1 7 . 1 1 60 60 ALA N N 60 127.537 127.537 130.338 -2.801 25816 3073 1 7 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.874 -0.287 25816 3074 1 7 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.676 -1.302 25816 3075 1 7 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.716 -2.244 25816 3076 1 7 . 1 1 60 60 ALA H H 60 8.356 8.356 8.987 -0.631 25816 3077 1 7 . 1 1 61 61 GLY N N 61 103.058 103.058 104.037 -0.979 25816 3078 1 7 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.871 -1.084 25816 3079 1 7 . 1 1 61 61 GLY H H 61 9.178 9.178 7.914 1.264 25816 3080 1 7 . 1 1 62 62 TYR N N 62 120.218 120.218 115.340 4.878 25816 3081 1 7 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.917 -0.287 25816 3082 1 7 . 1 1 62 62 TYR CA C 62 56.577 56.577 56.136 0.441 25816 3083 1 7 . 1 1 62 62 TYR CB C 62 38.892 38.892 37.709 1.183 25816 3084 1 7 . 1 1 62 62 TYR H H 62 7.888 7.888 7.378 0.510 25816 3085 1 7 . 1 1 63 63 THR N N 63 120.933 120.933 116.611 4.322 25816 3086 1 7 . 1 1 63 63 THR HA H 63 4.479 4.479 4.817 -0.338 25816 3087 1 7 . 1 1 63 63 THR CA C 63 62.851 62.851 62.527 0.324 25816 3088 1 7 . 1 1 63 63 THR CB C 63 67.848 67.848 69.966 -2.118 25816 3089 1 7 . 1 1 63 63 THR H H 63 9.108 9.108 7.759 1.349 25816 3090 1 7 . 1 1 64 64 VAL N N 64 121.039 121.039 126.431 -5.392 25816 3091 1 7 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.511 0.088 25816 3092 1 7 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.143 -2.276 25816 3093 1 7 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.519 -2.515 25816 3094 1 7 . 1 1 64 64 VAL H H 64 7.782 7.782 8.556 -0.774 25816 3095 1 7 . 1 1 65 65 THR N N 65 114.373 114.373 119.823 -5.450 25816 3096 1 7 . 1 1 65 65 THR HA H 65 4.452 4.452 4.498 -0.046 25816 3097 1 7 . 1 1 65 65 THR CA C 65 60.536 60.536 63.574 -3.038 25816 3098 1 7 . 1 1 65 65 THR CB C 65 69.037 69.037 69.318 -0.281 25816 3099 1 7 . 1 1 65 65 THR H H 65 9.053 9.053 8.229 0.824 25816 3100 1 7 . 1 1 66 66 GLU N N 66 115.766 115.766 119.016 -3.250 25816 3101 1 7 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.530 0.033 25816 3102 1 7 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.808 -2.421 25816 3103 1 7 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.912 0.653 25816 3104 1 7 . 1 1 66 66 GLU H H 66 7.345 7.345 7.732 -0.387 25816 3105 1 7 . 1 1 67 67 LEU N N 67 124.674 124.674 118.055 6.619 25816 3106 1 7 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.575 -0.641 25816 3107 1 7 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.520 0.014 25816 3108 1 7 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.690 0.363 25816 3109 1 7 . 1 1 67 67 LEU H H 67 8.906 8.906 8.518 0.388 25816 3110 1 7 . 1 1 68 68 ALA N N 68 120.493 120.493 121.825 -1.332 25816 3111 1 7 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.963 0.173 25816 3112 1 7 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.982 -0.308 25816 3113 1 7 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.934 -1.413 25816 3114 1 7 . 1 1 68 68 ALA H H 68 9.022 9.022 8.549 0.473 25816 3115 1 7 . 1 1 69 69 ALA N N 69 119.695 119.695 121.374 -1.679 25816 3116 1 7 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.081 0.081 25816 3117 1 7 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.657 -0.637 25816 3118 1 7 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.362 -0.699 25816 3119 1 7 . 1 1 69 69 ALA H H 69 7.258 7.258 7.690 -0.432 25816 3120 1 7 . 1 1 70 70 PHE N N 70 119.274 119.274 119.320 -0.046 25816 3121 1 7 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.163 -0.204 25816 3122 1 7 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.180 -0.220 25816 3123 1 7 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.502 -1.069 25816 3124 1 7 . 1 1 70 70 PHE H H 70 7.769 7.769 7.717 0.052 25816 3125 1 7 . 1 1 71 71 ASN N N 71 117.363 117.363 118.216 -0.853 25816 3126 1 7 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.593 -0.491 25816 3127 1 7 . 1 1 71 71 ASN CA C 71 54.697 54.697 55.982 -1.285 25816 3128 1 7 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.435 -2.362 25816 3129 1 7 . 1 1 71 71 ASN H H 71 8.801 8.801 8.581 0.220 25816 3130 1 7 . 1 1 72 72 THR N N 72 119.746 119.746 117.378 2.368 25816 3131 1 7 . 1 1 72 72 THR HA H 72 4.220 4.220 3.973 0.247 25816 3132 1 7 . 1 1 72 72 THR CA C 72 65.927 65.927 67.065 -1.138 25816 3133 1 7 . 1 1 72 72 THR CB C 72 67.600 67.600 69.024 -1.424 25816 3134 1 7 . 1 1 72 72 THR H H 72 8.109 8.109 7.736 0.373 25816 3135 1 7 . 1 1 73 73 VAL N N 73 123.156 123.156 120.563 2.593 25816 3136 1 7 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.573 -0.118 25816 3137 1 7 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.112 0.044 25816 3138 1 7 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.333 0.003 25816 3139 1 7 . 1 1 73 73 VAL H H 73 7.744 7.744 7.905 -0.161 25816 3140 1 7 . 1 1 74 74 VAL N N 74 120.420 120.420 120.057 0.363 25816 3141 1 7 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.521 -0.155 25816 3142 1 7 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.320 1.278 25816 3143 1 7 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.935 -0.450 25816 3144 1 7 . 1 1 74 74 VAL H H 74 8.154 8.154 7.538 0.616 25816 3145 1 7 . 1 1 75 75 ALA N N 75 120.206 120.206 120.775 -0.569 25816 3146 1 7 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.956 0.039 25816 3147 1 7 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.505 -0.506 25816 3148 1 7 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.564 -1.599 25816 3149 1 7 . 1 1 75 75 ALA H H 75 7.788 7.788 7.636 0.152 25816 3150 1 7 . 1 1 76 76 ARG N N 76 114.701 114.701 117.421 -2.720 25816 3151 1 7 . 1 1 76 76 ARG HA H 76 4.085 4.085 3.973 0.112 25816 3152 1 7 . 1 1 76 76 ARG CA C 76 56.982 56.982 58.023 -1.041 25816 3153 1 7 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.953 0.731 25816 3154 1 7 . 1 1 76 76 ARG H H 76 7.705 7.705 7.966 -0.261 25816 3155 1 7 . 1 1 77 77 HIS N N 77 112.695 112.695 117.536 -4.841 25816 3156 1 7 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.589 0.221 25816 3157 1 7 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.444 1.717 25816 3158 1 7 . 1 1 77 77 HIS CB C 77 31.033 31.033 27.455 3.578 25816 3159 1 7 . 1 1 77 77 HIS H H 77 8.123 8.123 7.380 0.743 25816 3160 1 7 . 1 1 78 78 VAL N N 78 119.219 119.219 120.644 -1.425 25816 3161 1 7 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.127 -0.234 25816 3162 1 7 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.362 2.203 25816 3163 1 7 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.769 -2.641 25816 3164 1 7 . 1 1 78 78 VAL H H 78 8.034 8.034 7.552 0.482 25816 3165 1 7 . 1 1 79 79 ARG N N 79 126.908 126.908 119.740 7.168 25816 3166 1 7 . 1 1 79 79 ARG CA C 79 51.361 51.361 53.516 -2.155 25816 3167 1 7 . 1 1 79 79 ARG CB C 79 30.191 30.191 29.689 0.502 25816 3168 1 7 . 1 1 79 79 ARG H H 79 7.023 7.023 7.759 -0.736 25816 3169 1 7 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.383 -0.358 25816 3170 1 7 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.095 0.475 25816 3171 1 7 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.526 -0.314 25816 3172 1 7 . 1 1 81 81 SER N N 81 115.039 115.039 116.765 -1.726 25816 3173 1 7 . 1 1 81 81 SER HA H 81 4.047 4.047 4.049 -0.002 25816 3174 1 7 . 1 1 81 81 SER CA C 81 60.713 60.713 58.514 2.199 25816 3175 1 7 . 1 1 81 81 SER H H 81 8.210 8.210 8.626 -0.416 25816 3176 1 7 . 1 1 82 82 ALA N N 82 123.546 123.546 123.520 0.026 25816 3177 1 7 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.513 -0.167 25816 3178 1 7 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.416 0.090 25816 3179 1 7 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.476 -1.381 25816 3180 1 7 . 1 1 82 82 ALA H H 82 7.770 7.770 7.483 0.287 25816 3181 1 7 . 1 1 83 83 SER N N 83 116.753 116.753 118.394 -1.641 25816 3182 1 7 . 1 1 83 83 SER HA H 83 5.129 5.129 5.051 0.078 25816 3183 1 7 . 1 1 83 83 SER CA C 83 56.582 56.582 57.544 -0.962 25816 3184 1 7 . 1 1 83 83 SER CB C 83 62.554 62.554 64.059 -1.505 25816 3185 1 7 . 1 1 83 83 SER H H 83 8.524 8.524 8.508 0.016 25816 3186 1 7 . 1 1 84 84 ILE N N 84 126.985 126.985 127.156 -0.171 25816 3187 1 7 . 1 1 84 84 ILE CA C 84 54.786 54.786 56.694 -1.908 25816 3188 1 7 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.228 -1.804 25816 3189 1 7 . 1 1 84 84 ILE H H 84 9.599 9.599 8.021 1.578 25816 3190 1 7 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.500 0.445 25816 3191 1 7 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.742 -1.188 25816 3192 1 7 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.119 0.308 25816 3193 1 7 . 1 1 86 86 VAL N N 86 123.811 123.811 125.081 -1.270 25816 3194 1 7 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.351 0.498 25816 3195 1 7 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.597 -1.824 25816 3196 1 7 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.478 0.166 25816 3197 1 7 . 1 1 86 86 VAL H H 86 9.033 9.033 7.692 1.341 25816 3198 1 7 . 1 1 87 87 VAL N N 87 127.839 127.839 127.418 0.421 25816 3199 1 7 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.178 0.794 25816 3200 1 7 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.412 -1.719 25816 3201 1 7 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.239 0.179 25816 3202 1 7 . 1 1 87 87 VAL H H 87 9.132 9.132 8.576 0.556 25816 3203 1 7 . 1 1 88 88 PHE N N 88 127.301 127.301 125.996 1.305 25816 3204 1 7 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.605 0.013 25816 3205 1 7 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.474 -0.263 25816 3206 1 7 . 1 1 88 88 PHE CB C 88 41.002 41.002 41.856 -0.854 25816 3207 1 7 . 1 1 88 88 PHE H H 88 9.248 9.248 8.075 1.173 25816 3208 1 7 . 1 1 89 89 SER N N 89 113.734 113.734 115.400 -1.666 25816 3209 1 7 . 1 1 89 89 SER HA H 89 5.336 5.336 5.003 0.333 25816 3210 1 7 . 1 1 89 89 SER CA C 89 54.452 54.452 56.731 -2.279 25816 3211 1 7 . 1 1 89 89 SER CB C 89 64.474 64.474 66.154 -1.680 25816 3212 1 7 . 1 1 89 89 SER H H 89 9.689 9.689 8.113 1.576 25816 3213 1 7 . 1 1 90 90 ARG N N 90 128.114 128.114 124.052 4.062 25816 3214 1 7 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.627 0.120 25816 3215 1 7 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.082 -0.960 25816 3216 1 7 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.512 0.824 25816 3217 1 7 . 1 1 90 90 ARG H H 90 8.561 8.561 8.032 0.529 25816 3218 1 7 . 1 1 91 91 ASP N N 91 129.790 129.790 124.169 5.621 25816 3219 1 7 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.622 -0.353 25816 3220 1 7 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.170 -0.669 25816 3221 1 7 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.764 0.317 25816 3222 1 7 . 1 1 91 91 ASP H H 91 9.461 9.461 8.658 0.803 25816 3223 1 7 . 1 1 92 92 GLY N N 92 102.404 102.404 103.806 -1.402 25816 3224 1 7 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.092 -0.787 25816 3225 1 7 . 1 1 92 92 GLY H H 92 8.391 8.391 8.797 -0.406 25816 3226 1 7 . 1 1 93 93 VAL N N 93 123.090 123.090 124.272 -1.182 25816 3227 1 7 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.858 0.144 25816 3228 1 7 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.672 -2.406 25816 3229 1 7 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.265 -0.447 25816 3230 1 7 . 1 1 93 93 VAL H H 93 7.682 7.682 7.182 0.500 25816 3231 1 7 . 1 1 94 94 VAL N N 94 128.414 128.414 127.916 0.498 25816 3232 1 7 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.058 0.076 25816 3233 1 7 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.369 0.971 25816 3234 1 7 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.632 -2.515 25816 3235 1 7 . 1 1 94 94 VAL H H 94 8.400 8.400 8.202 0.198 25816 3236 1 7 . 1 1 95 95 MET N N 95 129.196 129.196 128.860 0.336 25816 3237 1 7 . 1 1 95 95 MET HA H 95 4.352 4.352 4.773 -0.421 25816 3238 1 7 . 1 1 95 95 MET CA C 95 53.674 53.674 53.856 -0.182 25816 3239 1 7 . 1 1 95 95 MET CB C 95 36.104 36.104 36.827 -0.723 25816 3240 1 7 . 1 1 95 95 MET H H 95 9.100 9.100 7.986 1.114 25816 3241 1 7 . 1 1 96 96 SER N N 96 111.540 111.540 116.069 -4.529 25816 3242 1 7 . 1 1 96 96 SER HA H 96 5.469 5.469 4.760 0.709 25816 3243 1 7 . 1 1 96 96 SER CA C 96 55.830 55.830 57.169 -1.339 25816 3244 1 7 . 1 1 96 96 SER CB C 96 65.471 65.471 64.971 0.500 25816 3245 1 7 . 1 1 96 96 SER H H 96 8.004 8.004 8.332 -0.328 25816 3246 1 7 . 1 1 97 97 ALA N N 97 124.079 124.079 127.794 -3.715 25816 3247 1 7 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.706 0.082 25816 3248 1 7 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.784 -1.385 25816 3249 1 7 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.102 0.442 25816 3250 1 7 . 1 1 97 97 ALA H H 97 9.145 9.145 8.186 0.959 25816 3251 1 7 . 1 1 98 98 THR N N 98 117.342 117.342 118.438 -1.096 25816 3252 1 7 . 1 1 98 98 THR HA H 98 4.823 4.823 4.584 0.239 25816 3253 1 7 . 1 1 98 98 THR CA C 98 61.053 61.053 62.399 -1.346 25816 3254 1 7 . 1 1 98 98 THR CB C 98 69.913 69.913 69.210 0.703 25816 3255 1 7 . 1 1 98 98 THR H H 98 8.754 8.754 8.342 0.412 25816 3256 1 7 . 1 1 99 99 ILE N N 99 125.689 125.689 125.107 0.582 25816 3257 1 7 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.395 -0.284 25816 3258 1 7 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.570 -1.201 25816 3259 1 7 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.271 1.420 25816 3260 1 7 . 1 1 99 99 ILE H H 99 8.868 8.868 8.038 0.830 25816 3261 1 7 . 1 1 100 100 VAL N N 100 129.871 129.871 124.027 5.844 25816 3262 1 7 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.626 0.040 25816 3263 1 7 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.060 0.807 25816 3264 1 7 . 1 1 100 100 VAL CB C 100 29.610 29.610 30.943 -1.333 25816 3265 1 7 . 1 1 100 100 VAL H H 100 8.818 8.818 8.404 0.414 25816 3266 1 7 . 1 1 101 101 VAL N N 101 128.299 128.299 127.122 1.177 25816 3267 1 7 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.185 -0.816 25816 3268 1 7 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.688 2.639 25816 3269 1 7 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.294 -0.320 25816 3270 1 7 . 1 1 101 101 VAL H H 101 8.795 8.795 7.757 1.038 25816 3271 1 7 . 1 1 102 102 GLY N N 102 115.466 115.466 114.316 1.150 25816 3272 1 7 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.210 -0.530 25816 3273 1 7 . 1 1 102 102 GLY H H 102 8.393 8.393 8.377 0.016 25816 3274 1 7 . 1 1 103 103 GLU N N 103 119.459 119.459 121.245 -1.786 25816 3275 1 7 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.439 0.516 25816 3276 1 7 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.863 -2.117 25816 3277 1 7 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.570 1.631 25816 3278 1 7 . 1 1 103 103 GLU H H 103 8.386 8.386 8.631 -0.245 25816 3279 1 7 . 1 1 104 104 LEU N N 104 123.881 123.881 121.141 2.740 25816 3280 1 7 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.453 0.247 25816 3281 1 7 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.015 -1.448 25816 3282 1 7 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.600 3.458 25816 3283 1 7 . 1 1 104 104 LEU H H 104 8.735 8.735 7.835 0.900 25816 3284 1 8 . 1 1 2 2 LEU N N 2 122.611 122.611 122.810 -0.199 25816 3285 1 8 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.642 -0.250 25816 3286 1 8 . 1 1 2 2 LEU CA C 2 54.332 54.332 56.125 -1.793 25816 3287 1 8 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.017 -1.700 25816 3288 1 8 . 1 1 2 2 LEU H H 2 8.535 8.535 8.769 -0.234 25816 3289 1 8 . 1 1 3 3 THR N N 3 112.475 112.475 118.032 -5.557 25816 3290 1 8 . 1 1 3 3 THR HA H 3 4.777 4.777 4.742 0.035 25816 3291 1 8 . 1 1 3 3 THR CA C 3 59.259 59.259 61.484 -2.225 25816 3292 1 8 . 1 1 3 3 THR CB C 3 70.185 70.185 71.229 -1.044 25816 3293 1 8 . 1 1 3 3 THR H H 3 7.903 7.903 8.243 -0.340 25816 3294 1 8 . 1 1 4 4 ARG N N 4 120.183 120.183 120.846 -0.663 25816 3295 1 8 . 1 1 4 4 ARG H H 4 8.809 8.809 8.420 0.389 25816 3296 1 8 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.538 -0.166 25816 3297 1 8 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.567 2.450 25816 3298 1 8 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.561 -0.973 25816 3299 1 8 . 1 1 6 6 TYR N N 6 120.727 120.727 119.269 1.458 25816 3300 1 8 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.482 0.152 25816 3301 1 8 . 1 1 6 6 TYR CA C 6 56.076 56.076 58.268 -2.192 25816 3302 1 8 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.726 1.328 25816 3303 1 8 . 1 1 6 6 TYR H H 6 7.530 7.530 8.203 -0.673 25816 3304 1 8 . 1 1 7 7 LEU N N 7 126.575 126.575 123.494 3.081 25816 3305 1 8 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.328 1.079 25816 3306 1 8 . 1 1 7 7 LEU H H 7 8.500 8.500 8.031 0.469 25816 3307 1 8 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.126 0.581 25816 3308 1 8 . 1 1 9 9 PHE N N 9 114.612 114.612 114.269 0.343 25816 3309 1 8 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.031 0.327 25816 3310 1 8 . 1 1 9 9 PHE CA C 9 55.262 55.262 54.098 1.164 25816 3311 1 8 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.231 -0.777 25816 3312 1 8 . 1 1 9 9 PHE H H 9 7.102 7.102 7.470 -0.368 25816 3313 1 8 . 1 1 10 10 ARG N N 10 117.800 117.800 119.037 -1.237 25816 3314 1 8 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.635 0.036 25816 3315 1 8 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.803 -1.403 25816 3316 1 8 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.381 0.434 25816 3317 1 8 . 1 1 10 10 ARG H H 10 8.206 8.206 8.858 -0.652 25816 3318 1 8 . 1 1 11 11 VAL N N 11 117.216 117.216 114.459 2.757 25816 3319 1 8 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.285 -0.118 25816 3320 1 8 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.530 -2.340 25816 3321 1 8 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.243 -1.368 25816 3322 1 8 . 1 1 11 11 VAL H H 11 8.601 8.601 8.192 0.409 25816 3323 1 8 . 1 1 12 12 ALA N N 12 123.025 123.025 129.598 -6.573 25816 3324 1 8 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.840 -0.260 25816 3325 1 8 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.738 -1.195 25816 3326 1 8 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.328 1.454 25816 3327 1 8 . 1 1 12 12 ALA H H 12 8.861 8.861 8.149 0.712 25816 3328 1 8 . 1 1 13 13 VAL N N 13 121.395 121.395 123.604 -2.209 25816 3329 1 8 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.051 0.500 25816 3330 1 8 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.449 -1.166 25816 3331 1 8 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.970 -1.276 25816 3332 1 8 . 1 1 13 13 VAL H H 13 8.585 8.585 8.587 -0.002 25816 3333 1 8 . 1 1 14 14 GLY N N 14 117.546 117.546 115.837 1.709 25816 3334 1 8 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.391 -2.007 25816 3335 1 8 . 1 1 14 14 GLY H H 14 8.789 8.789 8.072 0.717 25816 3336 1 8 . 1 1 15 15 ARG N N 15 120.075 120.075 121.528 -1.453 25816 3337 1 8 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.794 0.316 25816 3338 1 8 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.102 -1.209 25816 3339 1 8 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.480 0.276 25816 3340 1 8 . 1 1 15 15 ARG H H 15 8.299 8.299 8.417 -0.118 25816 3341 1 8 . 1 1 16 16 ASP N N 16 123.872 123.872 119.953 3.919 25816 3342 1 8 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.671 0.074 25816 3343 1 8 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.954 -1.583 25816 3344 1 8 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.636 -0.884 25816 3345 1 8 . 1 1 16 16 ASP H H 16 8.619 8.619 8.441 0.178 25816 3346 1 8 . 1 1 17 17 SER N N 17 114.309 114.309 113.920 0.389 25816 3347 1 8 . 1 1 17 17 SER HA H 17 4.196 4.196 4.274 -0.078 25816 3348 1 8 . 1 1 17 17 SER CA C 17 59.950 59.950 60.302 -0.352 25816 3349 1 8 . 1 1 17 17 SER CB C 17 61.825 61.825 63.450 -1.625 25816 3350 1 8 . 1 1 17 17 SER H H 17 8.624 8.624 8.328 0.296 25816 3351 1 8 . 1 1 18 18 SER N N 18 117.903 117.903 114.403 3.500 25816 3352 1 8 . 1 1 18 18 SER HA H 18 4.597 4.597 4.460 0.137 25816 3353 1 8 . 1 1 18 18 SER CA C 18 57.732 57.732 58.567 -0.835 25816 3354 1 8 . 1 1 18 18 SER CB C 18 63.470 63.470 64.320 -0.850 25816 3355 1 8 . 1 1 18 18 SER H H 18 8.385 8.385 7.726 0.659 25816 3356 1 8 . 1 1 19 19 GLY N N 19 109.883 109.883 109.512 0.371 25816 3357 1 8 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.671 -0.500 25816 3358 1 8 . 1 1 19 19 GLY H H 19 8.214 8.214 8.338 -0.124 25816 3359 1 8 . 1 1 20 20 CYS N N 20 122.167 122.167 119.242 2.925 25816 3360 1 8 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.746 -0.258 25816 3361 1 8 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.299 0.738 25816 3362 1 8 . 1 1 20 20 CYS CB C 20 26.685 26.685 30.522 -3.837 25816 3363 1 8 . 1 1 20 20 CYS H H 20 8.286 8.286 8.427 -0.141 25816 3364 1 8 . 1 1 21 21 THR N N 21 119.387 119.387 117.802 1.585 25816 3365 1 8 . 1 1 21 21 THR HA H 21 4.764 4.764 4.142 0.622 25816 3366 1 8 . 1 1 21 21 THR CA C 21 61.953 61.953 63.965 -2.011 25816 3367 1 8 . 1 1 21 21 THR CB C 21 68.795 68.795 67.392 1.403 25816 3368 1 8 . 1 1 21 21 THR H H 21 8.626 8.626 7.903 0.723 25816 3369 1 8 . 1 1 22 22 THR N N 22 116.611 116.611 116.719 -0.108 25816 3370 1 8 . 1 1 22 22 THR HA H 22 4.513 4.513 4.695 -0.182 25816 3371 1 8 . 1 1 22 22 THR CA C 22 58.918 58.918 60.534 -1.616 25816 3372 1 8 . 1 1 22 22 THR CB C 22 71.128 71.128 71.348 -0.220 25816 3373 1 8 . 1 1 22 22 THR H H 22 8.343 8.343 7.885 0.458 25816 3374 1 8 . 1 1 23 23 LEU N N 23 122.893 122.893 124.571 -1.678 25816 3375 1 8 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.234 -0.302 25816 3376 1 8 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.801 -1.314 25816 3377 1 8 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.446 -2.181 25816 3378 1 8 . 1 1 23 23 LEU H H 23 9.157 9.157 8.791 0.366 25816 3379 1 8 . 1 1 24 24 SER N N 24 116.771 116.771 115.668 1.103 25816 3380 1 8 . 1 1 24 24 SER HA H 24 5.173 5.173 4.787 0.386 25816 3381 1 8 . 1 1 24 24 SER CA C 24 55.247 55.247 56.845 -1.598 25816 3382 1 8 . 1 1 24 24 SER CB C 24 64.841 64.841 64.609 0.232 25816 3383 1 8 . 1 1 24 24 SER H H 24 8.656 8.656 8.038 0.618 25816 3384 1 8 . 1 1 25 25 ILE N N 25 122.747 122.747 128.063 -5.316 25816 3385 1 8 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.671 -0.640 25816 3386 1 8 . 1 1 25 25 ILE CA C 25 61.270 61.270 61.324 -0.054 25816 3387 1 8 . 1 1 25 25 ILE CB C 25 34.649 34.649 38.013 -3.364 25816 3388 1 8 . 1 1 25 25 ILE H H 25 9.023 9.023 9.096 -0.073 25816 3389 1 8 . 1 1 26 26 GLN N N 26 129.779 129.779 126.626 3.153 25816 3390 1 8 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.465 -0.036 25816 3391 1 8 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.698 -2.111 25816 3392 1 8 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.388 0.888 25816 3393 1 8 . 1 1 26 26 GLN H H 26 9.093 9.093 8.635 0.458 25816 3394 1 8 . 1 1 27 27 GLU N N 27 118.722 118.722 118.233 0.489 25816 3395 1 8 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.049 -0.085 25816 3396 1 8 . 1 1 27 27 GLU CB C 27 33.022 33.022 34.089 -1.067 25816 3397 1 8 . 1 1 27 27 GLU H H 27 7.479 7.479 7.854 -0.375 25816 3398 1 8 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.350 0.093 25816 3399 1 8 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.859 -0.704 25816 3400 1 8 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.272 1.408 25816 3401 1 8 . 1 1 29 29 THR N N 29 124.459 124.459 119.154 5.305 25816 3402 1 8 . 1 1 29 29 THR HA H 29 4.183 4.183 4.383 -0.200 25816 3403 1 8 . 1 1 29 29 THR CA C 29 62.474 62.474 62.582 -0.108 25816 3404 1 8 . 1 1 29 29 THR CB C 29 68.811 68.811 69.329 -0.518 25816 3405 1 8 . 1 1 29 29 THR H H 29 8.009 8.009 8.438 -0.429 25816 3406 1 8 . 1 1 30 30 GLN N N 30 130.053 130.053 121.158 8.895 25816 3407 1 8 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.371 -0.849 25816 3408 1 8 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.455 2.431 25816 3409 1 8 . 1 1 30 30 GLN CB C 30 27.305 27.305 26.355 0.950 25816 3410 1 8 . 1 1 30 30 GLN H H 30 9.321 9.321 8.499 0.822 25816 3411 1 8 . 1 1 31 31 THR N N 31 111.234 111.234 108.085 3.149 25816 3412 1 8 . 1 1 31 31 THR HA H 31 5.509 5.509 4.544 0.965 25816 3413 1 8 . 1 1 31 31 THR CA C 31 58.798 58.798 61.640 -2.842 25816 3414 1 8 . 1 1 31 31 THR CB C 31 71.374 71.374 70.265 1.109 25816 3415 1 8 . 1 1 31 31 THR H H 31 7.630 7.630 8.409 -0.779 25816 3416 1 8 . 1 1 32 32 TYR N N 32 121.998 121.998 120.725 1.273 25816 3417 1 8 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.737 0.066 25816 3418 1 8 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.652 -3.853 25816 3419 1 8 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.782 -2.064 25816 3420 1 8 . 1 1 32 32 TYR H H 32 9.359 9.359 7.567 1.792 25816 3421 1 8 . 1 1 33 33 THR N N 33 114.039 114.039 117.154 -3.115 25816 3422 1 8 . 1 1 33 33 THR HA H 33 4.390 4.390 4.559 -0.169 25816 3423 1 8 . 1 1 33 33 THR CA C 33 59.896 59.896 60.604 -0.708 25816 3424 1 8 . 1 1 33 33 THR CB C 33 69.135 69.135 70.884 -1.749 25816 3425 1 8 . 1 1 33 33 THR H H 33 7.985 7.985 8.080 -0.095 25816 3426 1 8 . 1 1 34 34 GLY N N 34 113.445 113.445 107.774 5.671 25816 3427 1 8 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.179 -1.107 25816 3428 1 8 . 1 1 34 34 GLY H H 34 8.698 8.698 7.824 0.874 25816 3429 1 8 . 1 1 35 35 SER N N 35 113.837 113.837 115.039 -1.202 25816 3430 1 8 . 1 1 35 35 SER HA H 35 4.264 4.264 3.994 0.270 25816 3431 1 8 . 1 1 35 35 SER CA C 35 57.651 57.651 61.127 -3.476 25816 3432 1 8 . 1 1 35 35 SER CB C 35 63.056 63.056 62.619 0.437 25816 3433 1 8 . 1 1 35 35 SER H H 35 8.039 8.039 8.729 -0.690 25816 3434 1 8 . 1 1 36 36 ASN N N 36 119.749 119.749 121.771 -2.022 25816 3435 1 8 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.737 -0.153 25816 3436 1 8 . 1 1 36 36 ASN CA C 36 52.781 52.781 55.001 -2.220 25816 3437 1 8 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.358 -2.172 25816 3438 1 8 . 1 1 36 36 ASN H H 36 8.767 8.767 8.301 0.466 25816 3439 1 8 . 1 1 37 37 GLY N N 37 110.628 110.628 108.024 2.604 25816 3440 1 8 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.128 0.457 25816 3441 1 8 . 1 1 37 37 GLY H H 37 8.496 8.496 8.135 0.361 25816 3442 1 8 . 1 1 38 38 GLY N N 38 108.654 108.654 108.649 0.005 25816 3443 1 8 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.858 -1.758 25816 3444 1 8 . 1 1 38 38 GLY H H 38 7.955 7.955 7.884 0.071 25816 3445 1 8 . 1 1 39 39 ALA N N 39 123.326 123.326 127.844 -4.518 25816 3446 1 8 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.352 -0.141 25816 3447 1 8 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.805 -0.967 25816 3448 1 8 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.162 -1.433 25816 3449 1 8 . 1 1 39 39 ALA H H 39 8.028 8.028 8.019 0.009 25816 3450 1 8 . 1 1 40 40 ASP N N 40 119.573 119.573 118.991 0.582 25816 3451 1 8 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.240 0.147 25816 3452 1 8 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.939 -0.945 25816 3453 1 8 . 1 1 40 40 ASP CB C 40 39.627 39.627 39.681 -0.054 25816 3454 1 8 . 1 1 40 40 ASP H H 40 8.261 8.261 7.976 0.285 25816 3455 1 8 . 1 1 41 41 LEU N N 41 123.899 123.899 123.957 -0.058 25816 3456 1 8 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.456 -0.014 25816 3457 1 8 . 1 1 41 41 LEU CA C 41 52.221 52.221 55.602 -3.381 25816 3458 1 8 . 1 1 41 41 LEU CB C 41 43.009 43.009 44.433 -1.424 25816 3459 1 8 . 1 1 41 41 LEU H H 41 8.663 8.663 8.231 0.432 25816 3460 1 8 . 1 1 42 42 MET N N 42 119.684 119.684 117.450 2.234 25816 3461 1 8 . 1 1 42 42 MET HA H 42 4.730 4.730 4.489 0.241 25816 3462 1 8 . 1 1 42 42 MET CA C 42 54.695 54.695 55.985 -1.290 25816 3463 1 8 . 1 1 42 42 MET CB C 42 32.194 32.194 34.767 -2.573 25816 3464 1 8 . 1 1 42 42 MET H H 42 8.553 8.553 8.126 0.427 25816 3465 1 8 . 1 1 43 43 GLY N N 43 113.052 113.052 110.750 2.302 25816 3466 1 8 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.733 -3.355 25816 3467 1 8 . 1 1 43 43 GLY H H 43 8.618 8.618 8.550 0.068 25816 3468 1 8 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.659 0.061 25816 3469 1 8 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.224 -2.993 25816 3470 1 8 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.533 0.420 25816 3471 1 8 . 1 1 45 45 ALA N N 45 120.693 120.693 120.446 0.247 25816 3472 1 8 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.333 -0.349 25816 3473 1 8 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.275 -0.471 25816 3474 1 8 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.677 -0.710 25816 3475 1 8 . 1 1 45 45 ALA H H 45 7.524 7.524 7.792 -0.268 25816 3476 1 8 . 1 1 46 46 PHE N N 46 122.306 122.306 119.835 2.471 25816 3477 1 8 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.458 -0.496 25816 3478 1 8 . 1 1 46 46 PHE CA C 46 60.326 60.326 58.243 2.083 25816 3479 1 8 . 1 1 46 46 PHE CB C 46 38.620 38.620 40.173 -1.553 25816 3480 1 8 . 1 1 46 46 PHE H H 46 8.603 8.603 7.688 0.915 25816 3481 1 8 . 1 1 47 47 ALA N N 47 123.253 123.253 122.077 1.176 25816 3482 1 8 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.017 0.071 25816 3483 1 8 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.228 -0.277 25816 3484 1 8 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.556 -0.909 25816 3485 1 8 . 1 1 47 47 ALA H H 47 9.199 9.199 8.336 0.863 25816 3486 1 8 . 1 1 48 48 ALA N N 48 117.571 117.571 119.470 -1.899 25816 3487 1 8 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.359 -0.056 25816 3488 1 8 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.782 -0.095 25816 3489 1 8 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.528 -0.756 25816 3490 1 8 . 1 1 48 48 ALA H H 48 7.262 7.262 7.441 -0.179 25816 3491 1 8 . 1 1 49 49 GLY N N 49 103.229 103.229 106.845 -3.616 25816 3492 1 8 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.951 -1.332 25816 3493 1 8 . 1 1 49 49 GLY H H 49 7.461 7.461 8.036 -0.575 25816 3494 1 8 . 1 1 50 50 LEU N N 50 120.470 120.470 122.714 -2.244 25816 3495 1 8 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.304 -0.786 25816 3496 1 8 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.597 -1.185 25816 3497 1 8 . 1 1 50 50 LEU CB C 50 40.955 40.955 39.881 1.074 25816 3498 1 8 . 1 1 50 50 LEU H H 50 7.224 7.224 7.795 -0.571 25816 3499 1 8 . 1 1 51 51 ARG N N 51 119.645 119.645 124.399 -4.754 25816 3500 1 8 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.891 -1.400 25816 3501 1 8 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.953 -1.137 25816 3502 1 8 . 1 1 51 51 ARG H H 51 8.678 8.678 7.976 0.702 25816 3503 1 8 . 1 1 52 52 VAL N N 52 119.995 119.995 119.272 0.723 25816 3504 1 8 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.889 -0.666 25816 3505 1 8 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.970 0.248 25816 3506 1 8 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.831 -0.682 25816 3507 1 8 . 1 1 52 52 VAL H H 52 8.482 8.482 8.306 0.176 25816 3508 1 8 . 1 1 53 53 GLY N N 53 117.052 117.052 115.746 1.306 25816 3509 1 8 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.726 -1.301 25816 3510 1 8 . 1 1 53 53 GLY H H 53 9.122 9.122 9.273 -0.151 25816 3511 1 8 . 1 1 54 54 ASP N N 54 124.203 124.203 121.689 2.514 25816 3512 1 8 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.063 -0.230 25816 3513 1 8 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.717 1.017 25816 3514 1 8 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.048 -1.769 25816 3515 1 8 . 1 1 54 54 ASP H H 54 7.848 7.848 7.757 0.091 25816 3516 1 8 . 1 1 55 55 GLN N N 55 121.703 121.703 123.797 -2.094 25816 3517 1 8 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.737 0.130 25816 3518 1 8 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.069 -1.543 25816 3519 1 8 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.672 -0.640 25816 3520 1 8 . 1 1 55 55 GLN H H 55 9.158 9.158 8.460 0.698 25816 3521 1 8 . 1 1 56 56 LEU N N 56 124.733 124.733 127.805 -3.072 25816 3522 1 8 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.290 -0.103 25816 3523 1 8 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.719 0.475 25816 3524 1 8 . 1 1 56 56 LEU CB C 56 42.013 42.013 40.825 1.188 25816 3525 1 8 . 1 1 56 56 LEU H H 56 8.770 8.770 8.869 -0.099 25816 3526 1 8 . 1 1 57 57 VAL N N 57 123.383 123.383 124.599 -1.216 25816 3527 1 8 . 1 1 57 57 VAL HA H 57 4.308 4.308 3.925 0.383 25816 3528 1 8 . 1 1 57 57 VAL CA C 57 63.143 63.143 64.501 -1.358 25816 3529 1 8 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.304 0.331 25816 3530 1 8 . 1 1 57 57 VAL H H 57 8.889 8.889 8.136 0.753 25816 3531 1 8 . 1 1 58 58 ARG N N 58 118.094 118.094 118.293 -0.199 25816 3532 1 8 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.126 1.212 25816 3533 1 8 . 1 1 58 58 ARG CA C 58 54.212 54.212 58.548 -4.336 25816 3534 1 8 . 1 1 58 58 ARG CB C 58 34.613 34.613 28.878 5.735 25816 3535 1 8 . 1 1 58 58 ARG H H 58 8.531 8.531 8.399 0.132 25816 3536 1 8 . 1 1 59 59 PHE N N 59 123.332 123.332 120.449 2.883 25816 3537 1 8 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.775 0.160 25816 3538 1 8 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.983 0.873 25816 3539 1 8 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.824 2.147 25816 3540 1 8 . 1 1 59 59 PHE H H 59 9.295 9.295 8.280 1.015 25816 3541 1 8 . 1 1 60 60 ALA N N 60 127.537 127.537 128.413 -0.876 25816 3542 1 8 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.959 -0.372 25816 3543 1 8 . 1 1 60 60 ALA CA C 60 52.374 52.374 51.660 0.714 25816 3544 1 8 . 1 1 60 60 ALA CB C 60 15.473 15.473 16.186 -0.713 25816 3545 1 8 . 1 1 60 60 ALA H H 60 8.356 8.356 7.830 0.526 25816 3546 1 8 . 1 1 61 61 GLY N N 61 103.058 103.058 107.702 -4.644 25816 3547 1 8 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.659 -0.872 25816 3548 1 8 . 1 1 61 61 GLY H H 61 9.178 9.178 7.673 1.505 25816 3549 1 8 . 1 1 62 62 TYR N N 62 120.218 120.218 116.889 3.329 25816 3550 1 8 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.210 0.420 25816 3551 1 8 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.102 -1.525 25816 3552 1 8 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.391 3.501 25816 3553 1 8 . 1 1 62 62 TYR H H 62 7.888 7.888 7.431 0.457 25816 3554 1 8 . 1 1 63 63 THR N N 63 120.933 120.933 112.553 8.380 25816 3555 1 8 . 1 1 63 63 THR HA H 63 4.479 4.479 4.716 -0.237 25816 3556 1 8 . 1 1 63 63 THR CA C 63 62.851 62.851 62.219 0.632 25816 3557 1 8 . 1 1 63 63 THR CB C 63 67.848 67.848 70.760 -2.912 25816 3558 1 8 . 1 1 63 63 THR H H 63 9.108 9.108 8.090 1.018 25816 3559 1 8 . 1 1 64 64 VAL N N 64 121.039 121.039 124.128 -3.089 25816 3560 1 8 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.621 -0.022 25816 3561 1 8 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.790 -1.923 25816 3562 1 8 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.910 -1.906 25816 3563 1 8 . 1 1 64 64 VAL H H 64 7.782 7.782 8.316 -0.534 25816 3564 1 8 . 1 1 65 65 THR N N 65 114.373 114.373 118.165 -3.792 25816 3565 1 8 . 1 1 65 65 THR HA H 65 4.452 4.452 4.391 0.061 25816 3566 1 8 . 1 1 65 65 THR CA C 65 60.536 60.536 62.661 -2.125 25816 3567 1 8 . 1 1 65 65 THR CB C 65 69.037 69.037 69.275 -0.238 25816 3568 1 8 . 1 1 65 65 THR H H 65 9.053 9.053 8.342 0.711 25816 3569 1 8 . 1 1 66 66 GLU N N 66 115.766 115.766 119.929 -4.163 25816 3570 1 8 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.505 0.058 25816 3571 1 8 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.651 -2.264 25816 3572 1 8 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.120 0.445 25816 3573 1 8 . 1 1 66 66 GLU H H 66 7.345 7.345 7.737 -0.392 25816 3574 1 8 . 1 1 67 67 LEU N N 67 124.674 124.674 118.253 6.421 25816 3575 1 8 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.583 -0.649 25816 3576 1 8 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.383 0.152 25816 3577 1 8 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.626 0.427 25816 3578 1 8 . 1 1 67 67 LEU H H 67 8.906 8.906 8.483 0.423 25816 3579 1 8 . 1 1 68 68 ALA N N 68 120.493 120.493 122.004 -1.511 25816 3580 1 8 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.913 0.223 25816 3581 1 8 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.055 -0.381 25816 3582 1 8 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.944 -1.423 25816 3583 1 8 . 1 1 68 68 ALA H H 68 9.022 9.022 8.456 0.566 25816 3584 1 8 . 1 1 69 69 ALA N N 69 119.695 119.695 121.310 -1.615 25816 3585 1 8 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.154 0.008 25816 3586 1 8 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.713 -0.693 25816 3587 1 8 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.391 -0.728 25816 3588 1 8 . 1 1 69 69 ALA H H 69 7.258 7.258 7.651 -0.393 25816 3589 1 8 . 1 1 70 70 PHE N N 70 119.274 119.274 118.877 0.397 25816 3590 1 8 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.218 -0.259 25816 3591 1 8 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.877 0.083 25816 3592 1 8 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.452 -1.020 25816 3593 1 8 . 1 1 70 70 PHE H H 70 7.769 7.769 7.758 0.011 25816 3594 1 8 . 1 1 71 71 ASN N N 71 117.363 117.363 118.861 -1.498 25816 3595 1 8 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.389 -0.287 25816 3596 1 8 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.483 -1.786 25816 3597 1 8 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.465 -2.392 25816 3598 1 8 . 1 1 71 71 ASN H H 71 8.801 8.801 8.623 0.178 25816 3599 1 8 . 1 1 72 72 THR N N 72 119.746 119.746 115.749 3.997 25816 3600 1 8 . 1 1 72 72 THR HA H 72 4.220 4.220 3.969 0.251 25816 3601 1 8 . 1 1 72 72 THR CA C 72 65.927 65.927 65.993 -0.066 25816 3602 1 8 . 1 1 72 72 THR CB C 72 67.600 67.600 68.669 -1.069 25816 3603 1 8 . 1 1 72 72 THR H H 72 8.109 8.109 7.767 0.342 25816 3604 1 8 . 1 1 73 73 VAL N N 73 123.156 123.156 121.749 1.407 25816 3605 1 8 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.359 0.096 25816 3606 1 8 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.796 -0.640 25816 3607 1 8 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.744 -1.408 25816 3608 1 8 . 1 1 73 73 VAL H H 73 7.744 7.744 7.762 -0.018 25816 3609 1 8 . 1 1 74 74 VAL N N 74 120.420 120.420 118.351 2.069 25816 3610 1 8 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.530 -0.164 25816 3611 1 8 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.563 0.035 25816 3612 1 8 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.197 -0.712 25816 3613 1 8 . 1 1 74 74 VAL H H 74 8.154 8.154 7.474 0.680 25816 3614 1 8 . 1 1 75 75 ALA N N 75 120.206 120.206 120.299 -0.093 25816 3615 1 8 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.987 0.008 25816 3616 1 8 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.511 -0.512 25816 3617 1 8 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.814 -1.850 25816 3618 1 8 . 1 1 75 75 ALA H H 75 7.788 7.788 7.920 -0.132 25816 3619 1 8 . 1 1 76 76 ARG N N 76 114.701 114.701 116.727 -2.026 25816 3620 1 8 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.051 0.034 25816 3621 1 8 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.346 -0.364 25816 3622 1 8 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.074 0.610 25816 3623 1 8 . 1 1 76 76 ARG H H 76 7.705 7.705 7.447 0.258 25816 3624 1 8 . 1 1 77 77 HIS N N 77 112.695 112.695 118.626 -5.931 25816 3625 1 8 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.614 0.196 25816 3626 1 8 . 1 1 77 77 HIS CA C 77 56.161 56.161 55.187 0.974 25816 3627 1 8 . 1 1 77 77 HIS CB C 77 31.033 31.033 28.702 2.331 25816 3628 1 8 . 1 1 77 77 HIS H H 77 8.123 8.123 7.579 0.544 25816 3629 1 8 . 1 1 78 78 VAL N N 78 119.219 119.219 122.211 -2.992 25816 3630 1 8 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.220 -0.327 25816 3631 1 8 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.517 2.048 25816 3632 1 8 . 1 1 78 78 VAL CB C 78 29.128 29.128 32.573 -3.445 25816 3633 1 8 . 1 1 78 78 VAL H H 78 8.034 8.034 7.997 0.037 25816 3634 1 8 . 1 1 79 79 ARG N N 79 126.908 126.908 122.335 4.573 25816 3635 1 8 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.071 -2.710 25816 3636 1 8 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.500 -0.309 25816 3637 1 8 . 1 1 79 79 ARG H H 79 7.023 7.023 7.990 -0.967 25816 3638 1 8 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.375 -0.350 25816 3639 1 8 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.214 0.356 25816 3640 1 8 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.079 -0.867 25816 3641 1 8 . 1 1 81 81 SER N N 81 115.039 115.039 117.016 -1.977 25816 3642 1 8 . 1 1 81 81 SER HA H 81 4.047 4.047 4.042 0.005 25816 3643 1 8 . 1 1 81 81 SER CA C 81 60.713 60.713 58.630 2.083 25816 3644 1 8 . 1 1 81 81 SER H H 81 8.210 8.210 8.713 -0.503 25816 3645 1 8 . 1 1 82 82 ALA N N 82 123.546 123.546 123.818 -0.272 25816 3646 1 8 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.342 0.004 25816 3647 1 8 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.934 -0.428 25816 3648 1 8 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.778 -0.683 25816 3649 1 8 . 1 1 82 82 ALA H H 82 7.770 7.770 7.547 0.223 25816 3650 1 8 . 1 1 83 83 SER N N 83 116.753 116.753 120.327 -3.574 25816 3651 1 8 . 1 1 83 83 SER HA H 83 5.129 5.129 4.589 0.540 25816 3652 1 8 . 1 1 83 83 SER CA C 83 56.582 56.582 58.505 -1.923 25816 3653 1 8 . 1 1 83 83 SER CB C 83 62.554 62.554 63.068 -0.514 25816 3654 1 8 . 1 1 83 83 SER H H 83 8.524 8.524 8.690 -0.166 25816 3655 1 8 . 1 1 84 84 ILE N N 84 126.985 126.985 127.572 -0.587 25816 3656 1 8 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.479 -2.693 25816 3657 1 8 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.922 -2.498 25816 3658 1 8 . 1 1 84 84 ILE H H 84 9.599 9.599 7.914 1.685 25816 3659 1 8 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.536 0.409 25816 3660 1 8 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.683 -1.129 25816 3661 1 8 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.502 -0.075 25816 3662 1 8 . 1 1 86 86 VAL N N 86 123.811 123.811 124.918 -1.107 25816 3663 1 8 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.378 0.471 25816 3664 1 8 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.181 -1.408 25816 3665 1 8 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.968 -1.324 25816 3666 1 8 . 1 1 86 86 VAL H H 86 9.033 9.033 7.861 1.172 25816 3667 1 8 . 1 1 87 87 VAL N N 87 127.839 127.839 124.952 2.887 25816 3668 1 8 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.202 0.770 25816 3669 1 8 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.373 -1.681 25816 3670 1 8 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.395 0.023 25816 3671 1 8 . 1 1 87 87 VAL H H 87 9.132 9.132 8.573 0.559 25816 3672 1 8 . 1 1 88 88 PHE N N 88 127.301 127.301 128.559 -1.258 25816 3673 1 8 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.522 0.096 25816 3674 1 8 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.325 -1.113 25816 3675 1 8 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.002 -2.000 25816 3676 1 8 . 1 1 88 88 PHE H H 88 9.248 9.248 8.201 1.047 25816 3677 1 8 . 1 1 89 89 SER N N 89 113.734 113.734 118.503 -4.769 25816 3678 1 8 . 1 1 89 89 SER HA H 89 5.336 5.336 4.668 0.668 25816 3679 1 8 . 1 1 89 89 SER CA C 89 54.452 54.452 56.562 -2.110 25816 3680 1 8 . 1 1 89 89 SER CB C 89 64.474 64.474 66.090 -1.616 25816 3681 1 8 . 1 1 89 89 SER H H 89 9.689 9.689 8.087 1.602 25816 3682 1 8 . 1 1 90 90 ARG N N 90 128.114 128.114 124.430 3.684 25816 3683 1 8 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.541 0.206 25816 3684 1 8 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.016 -0.894 25816 3685 1 8 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.953 1.383 25816 3686 1 8 . 1 1 90 90 ARG H H 90 8.561 8.561 7.826 0.735 25816 3687 1 8 . 1 1 91 91 ASP N N 91 129.790 129.790 122.259 7.531 25816 3688 1 8 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.356 -0.087 25816 3689 1 8 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.276 -0.775 25816 3690 1 8 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.836 0.245 25816 3691 1 8 . 1 1 91 91 ASP H H 91 9.461 9.461 9.065 0.396 25816 3692 1 8 . 1 1 92 92 GLY N N 92 102.404 102.404 103.104 -0.700 25816 3693 1 8 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.949 -0.644 25816 3694 1 8 . 1 1 92 92 GLY H H 92 8.391 8.391 8.214 0.177 25816 3695 1 8 . 1 1 93 93 VAL N N 93 123.090 123.090 121.772 1.318 25816 3696 1 8 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.853 0.149 25816 3697 1 8 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.869 -1.603 25816 3698 1 8 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.564 -0.746 25816 3699 1 8 . 1 1 93 93 VAL H H 93 7.682 7.682 6.869 0.813 25816 3700 1 8 . 1 1 94 94 VAL N N 94 128.414 128.414 126.552 1.862 25816 3701 1 8 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.988 0.146 25816 3702 1 8 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.584 0.756 25816 3703 1 8 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.111 -1.994 25816 3704 1 8 . 1 1 94 94 VAL H H 94 8.400 8.400 8.075 0.325 25816 3705 1 8 . 1 1 95 95 MET N N 95 129.196 129.196 129.008 0.188 25816 3706 1 8 . 1 1 95 95 MET HA H 95 4.352 4.352 4.860 -0.508 25816 3707 1 8 . 1 1 95 95 MET CA C 95 53.674 53.674 54.220 -0.546 25816 3708 1 8 . 1 1 95 95 MET CB C 95 36.104 36.104 37.161 -1.057 25816 3709 1 8 . 1 1 95 95 MET H H 95 9.100 9.100 8.355 0.745 25816 3710 1 8 . 1 1 96 96 SER N N 96 111.540 111.540 116.346 -4.806 25816 3711 1 8 . 1 1 96 96 SER HA H 96 5.469 5.469 4.908 0.561 25816 3712 1 8 . 1 1 96 96 SER CA C 96 55.830 55.830 57.525 -1.695 25816 3713 1 8 . 1 1 96 96 SER CB C 96 65.471 65.471 64.793 0.678 25816 3714 1 8 . 1 1 96 96 SER H H 96 8.004 8.004 8.387 -0.383 25816 3715 1 8 . 1 1 97 97 ALA N N 97 124.079 124.079 127.832 -3.753 25816 3716 1 8 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.745 0.043 25816 3717 1 8 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.964 -1.565 25816 3718 1 8 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.085 0.459 25816 3719 1 8 . 1 1 97 97 ALA H H 97 9.145 9.145 8.220 0.925 25816 3720 1 8 . 1 1 98 98 THR N N 98 117.342 117.342 118.857 -1.515 25816 3721 1 8 . 1 1 98 98 THR HA H 98 4.823 4.823 4.484 0.339 25816 3722 1 8 . 1 1 98 98 THR CA C 98 61.053 61.053 62.621 -1.568 25816 3723 1 8 . 1 1 98 98 THR CB C 98 69.913 69.913 69.536 0.377 25816 3724 1 8 . 1 1 98 98 THR H H 98 8.754 8.754 8.438 0.316 25816 3725 1 8 . 1 1 99 99 ILE N N 99 125.689 125.689 128.080 -2.391 25816 3726 1 8 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.345 -0.234 25816 3727 1 8 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.729 -1.360 25816 3728 1 8 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.785 0.906 25816 3729 1 8 . 1 1 99 99 ILE H H 99 8.868 8.868 8.015 0.853 25816 3730 1 8 . 1 1 100 100 VAL N N 100 129.871 129.871 125.724 4.147 25816 3731 1 8 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.849 -0.183 25816 3732 1 8 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.957 -0.090 25816 3733 1 8 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.909 -2.299 25816 3734 1 8 . 1 1 100 100 VAL H H 100 8.818 8.818 8.453 0.365 25816 3735 1 8 . 1 1 101 101 VAL N N 101 128.299 128.299 128.564 -0.265 25816 3736 1 8 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.231 -0.862 25816 3737 1 8 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.201 2.126 25816 3738 1 8 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.247 -1.273 25816 3739 1 8 . 1 1 101 101 VAL H H 101 8.795 8.795 7.775 1.020 25816 3740 1 8 . 1 1 102 102 GLY N N 102 115.466 115.466 116.024 -0.558 25816 3741 1 8 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.302 -0.622 25816 3742 1 8 . 1 1 102 102 GLY H H 102 8.393 8.393 8.663 -0.270 25816 3743 1 8 . 1 1 103 103 GLU N N 103 119.459 119.459 122.194 -2.735 25816 3744 1 8 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.193 0.762 25816 3745 1 8 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.376 -2.630 25816 3746 1 8 . 1 1 103 103 GLU CB C 103 32.201 32.201 29.947 2.254 25816 3747 1 8 . 1 1 103 103 GLU H H 103 8.386 8.386 8.474 -0.088 25816 3748 1 8 . 1 1 104 104 LEU N N 104 123.881 123.881 121.516 2.365 25816 3749 1 8 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.237 0.463 25816 3750 1 8 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.293 -2.726 25816 3751 1 8 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.618 1.440 25816 3752 1 8 . 1 1 104 104 LEU H H 104 8.735 8.735 7.853 0.882 25816 3753 1 9 . 1 1 2 2 LEU N N 2 122.611 122.611 123.500 -0.889 25816 3754 1 9 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.765 -0.373 25816 3755 1 9 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.977 -0.645 25816 3756 1 9 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.556 -1.239 25816 3757 1 9 . 1 1 2 2 LEU H H 2 8.535 8.535 8.483 0.052 25816 3758 1 9 . 1 1 3 3 THR N N 3 112.475 112.475 119.718 -7.243 25816 3759 1 9 . 1 1 3 3 THR HA H 3 4.777 4.777 4.781 -0.004 25816 3760 1 9 . 1 1 3 3 THR CA C 3 59.259 59.259 61.472 -2.213 25816 3761 1 9 . 1 1 3 3 THR CB C 3 70.185 70.185 71.425 -1.240 25816 3762 1 9 . 1 1 3 3 THR H H 3 7.903 7.903 7.811 0.092 25816 3763 1 9 . 1 1 4 4 ARG N N 4 120.183 120.183 120.091 0.092 25816 3764 1 9 . 1 1 4 4 ARG H H 4 8.809 8.809 8.369 0.440 25816 3765 1 9 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.514 -0.142 25816 3766 1 9 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.495 2.522 25816 3767 1 9 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.280 -0.692 25816 3768 1 9 . 1 1 6 6 TYR N N 6 120.727 120.727 117.066 3.661 25816 3769 1 9 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.758 -0.124 25816 3770 1 9 . 1 1 6 6 TYR CA C 6 56.076 56.076 56.517 -0.441 25816 3771 1 9 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.083 1.971 25816 3772 1 9 . 1 1 6 6 TYR H H 6 7.530 7.530 8.086 -0.556 25816 3773 1 9 . 1 1 7 7 LEU N N 7 126.575 126.575 120.067 6.508 25816 3774 1 9 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.406 1.001 25816 3775 1 9 . 1 1 7 7 LEU H H 7 8.500 8.500 8.403 0.097 25816 3776 1 9 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.864 0.843 25816 3777 1 9 . 1 1 9 9 PHE N N 9 114.612 114.612 116.170 -1.558 25816 3778 1 9 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.222 0.136 25816 3779 1 9 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.209 0.053 25816 3780 1 9 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.467 -1.012 25816 3781 1 9 . 1 1 9 9 PHE H H 9 7.102 7.102 7.281 -0.179 25816 3782 1 9 . 1 1 10 10 ARG N N 10 117.800 117.800 119.989 -2.189 25816 3783 1 9 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.668 0.003 25816 3784 1 9 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.005 -1.606 25816 3785 1 9 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.747 1.068 25816 3786 1 9 . 1 1 10 10 ARG H H 10 8.206 8.206 8.542 -0.336 25816 3787 1 9 . 1 1 11 11 VAL N N 11 117.216 117.216 122.261 -5.045 25816 3788 1 9 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.939 0.228 25816 3789 1 9 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.322 -2.131 25816 3790 1 9 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.543 -0.668 25816 3791 1 9 . 1 1 11 11 VAL H H 11 8.601 8.601 8.518 0.083 25816 3792 1 9 . 1 1 12 12 ALA N N 12 123.025 123.025 132.245 -9.220 25816 3793 1 9 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.847 -0.267 25816 3794 1 9 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.669 -1.126 25816 3795 1 9 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.464 1.318 25816 3796 1 9 . 1 1 12 12 ALA H H 12 8.861 8.861 8.201 0.660 25816 3797 1 9 . 1 1 13 13 VAL N N 13 121.395 121.395 124.749 -3.354 25816 3798 1 9 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.275 0.276 25816 3799 1 9 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.652 -0.369 25816 3800 1 9 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.307 -0.613 25816 3801 1 9 . 1 1 13 13 VAL H H 13 8.585 8.585 8.710 -0.125 25816 3802 1 9 . 1 1 14 14 GLY N N 14 117.546 117.546 116.826 0.720 25816 3803 1 9 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.633 -2.249 25816 3804 1 9 . 1 1 14 14 GLY H H 14 8.789 8.789 8.192 0.597 25816 3805 1 9 . 1 1 15 15 ARG N N 15 120.075 120.075 120.819 -0.744 25816 3806 1 9 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.713 0.397 25816 3807 1 9 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.325 -1.432 25816 3808 1 9 . 1 1 15 15 ARG CB C 15 32.756 32.756 33.003 -0.247 25816 3809 1 9 . 1 1 15 15 ARG H H 15 8.299 8.299 8.360 -0.061 25816 3810 1 9 . 1 1 16 16 ASP N N 16 123.872 123.872 122.146 1.726 25816 3811 1 9 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.715 0.030 25816 3812 1 9 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.570 -1.199 25816 3813 1 9 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.587 -0.834 25816 3814 1 9 . 1 1 16 16 ASP H H 16 8.619 8.619 8.451 0.168 25816 3815 1 9 . 1 1 17 17 SER N N 17 114.309 114.309 114.092 0.217 25816 3816 1 9 . 1 1 17 17 SER HA H 17 4.196 4.196 4.148 0.048 25816 3817 1 9 . 1 1 17 17 SER CA C 17 59.950 59.950 61.086 -1.136 25816 3818 1 9 . 1 1 17 17 SER CB C 17 61.825 61.825 63.152 -1.327 25816 3819 1 9 . 1 1 17 17 SER H H 17 8.624 8.624 8.517 0.107 25816 3820 1 9 . 1 1 18 18 SER N N 18 117.903 117.903 115.610 2.293 25816 3821 1 9 . 1 1 18 18 SER HA H 18 4.597 4.597 4.391 0.206 25816 3822 1 9 . 1 1 18 18 SER CA C 18 57.732 57.732 58.096 -0.364 25816 3823 1 9 . 1 1 18 18 SER CB C 18 63.470 63.470 63.264 0.206 25816 3824 1 9 . 1 1 18 18 SER H H 18 8.385 8.385 7.799 0.586 25816 3825 1 9 . 1 1 19 19 GLY N N 19 109.883 109.883 109.902 -0.019 25816 3826 1 9 . 1 1 19 19 GLY CA C 19 44.171 44.171 46.092 -1.921 25816 3827 1 9 . 1 1 19 19 GLY H H 19 8.214 8.214 7.871 0.343 25816 3828 1 9 . 1 1 20 20 CYS N N 20 122.167 122.167 119.112 3.055 25816 3829 1 9 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.560 -0.072 25816 3830 1 9 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.183 0.854 25816 3831 1 9 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.879 -2.194 25816 3832 1 9 . 1 1 20 20 CYS H H 20 8.286 8.286 8.179 0.107 25816 3833 1 9 . 1 1 21 21 THR N N 21 119.387 119.387 115.631 3.756 25816 3834 1 9 . 1 1 21 21 THR HA H 21 4.764 4.764 4.213 0.551 25816 3835 1 9 . 1 1 21 21 THR CA C 21 61.953 61.953 63.098 -1.145 25816 3836 1 9 . 1 1 21 21 THR CB C 21 68.795 68.795 68.237 0.558 25816 3837 1 9 . 1 1 21 21 THR H H 21 8.626 8.626 8.182 0.444 25816 3838 1 9 . 1 1 22 22 THR N N 22 116.611 116.611 115.377 1.234 25816 3839 1 9 . 1 1 22 22 THR HA H 22 4.513 4.513 4.678 -0.165 25816 3840 1 9 . 1 1 22 22 THR CA C 22 58.918 58.918 60.603 -1.685 25816 3841 1 9 . 1 1 22 22 THR CB C 22 71.128 71.128 71.456 -0.328 25816 3842 1 9 . 1 1 22 22 THR H H 22 8.343 8.343 8.343 -0.000 25816 3843 1 9 . 1 1 23 23 LEU N N 23 122.893 122.893 123.460 -0.567 25816 3844 1 9 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.307 -0.375 25816 3845 1 9 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.644 -1.157 25816 3846 1 9 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.284 -3.019 25816 3847 1 9 . 1 1 23 23 LEU H H 23 9.157 9.157 8.486 0.671 25816 3848 1 9 . 1 1 24 24 SER N N 24 116.771 116.771 116.814 -0.043 25816 3849 1 9 . 1 1 24 24 SER HA H 24 5.173 5.173 4.752 0.421 25816 3850 1 9 . 1 1 24 24 SER CA C 24 55.247 55.247 56.772 -1.525 25816 3851 1 9 . 1 1 24 24 SER CB C 24 64.841 64.841 64.565 0.276 25816 3852 1 9 . 1 1 24 24 SER H H 24 8.656 8.656 8.043 0.613 25816 3853 1 9 . 1 1 25 25 ILE N N 25 122.747 122.747 127.034 -4.287 25816 3854 1 9 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.726 -0.695 25816 3855 1 9 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.689 0.581 25816 3856 1 9 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.947 -3.299 25816 3857 1 9 . 1 1 25 25 ILE H H 25 9.023 9.023 8.902 0.121 25816 3858 1 9 . 1 1 26 26 GLN N N 26 129.779 129.779 126.325 3.454 25816 3859 1 9 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.472 -0.043 25816 3860 1 9 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.992 -2.405 25816 3861 1 9 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.231 1.045 25816 3862 1 9 . 1 1 26 26 GLN H H 26 9.093 9.093 8.658 0.435 25816 3863 1 9 . 1 1 27 27 GLU N N 27 118.722 118.722 117.678 1.044 25816 3864 1 9 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.050 -0.086 25816 3865 1 9 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.545 -0.523 25816 3866 1 9 . 1 1 27 27 GLU H H 27 7.479 7.479 7.893 -0.414 25816 3867 1 9 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.382 0.061 25816 3868 1 9 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.619 0.536 25816 3869 1 9 . 1 1 28 28 VAL CB C 28 33.680 33.680 30.957 2.723 25816 3870 1 9 . 1 1 29 29 THR N N 29 124.459 124.459 118.658 5.801 25816 3871 1 9 . 1 1 29 29 THR HA H 29 4.183 4.183 4.272 -0.089 25816 3872 1 9 . 1 1 29 29 THR CA C 29 62.474 62.474 62.313 0.161 25816 3873 1 9 . 1 1 29 29 THR CB C 29 68.811 68.811 68.597 0.214 25816 3874 1 9 . 1 1 29 29 THR H H 29 8.009 8.009 8.473 -0.464 25816 3875 1 9 . 1 1 30 30 GLN N N 30 130.053 130.053 118.025 12.028 25816 3876 1 9 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.317 -0.795 25816 3877 1 9 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.995 1.891 25816 3878 1 9 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.553 -1.248 25816 3879 1 9 . 1 1 30 30 GLN H H 30 9.321 9.321 8.408 0.913 25816 3880 1 9 . 1 1 31 31 THR N N 31 111.234 111.234 113.278 -2.044 25816 3881 1 9 . 1 1 31 31 THR HA H 31 5.509 5.509 4.256 1.253 25816 3882 1 9 . 1 1 31 31 THR CA C 31 58.798 58.798 62.144 -3.346 25816 3883 1 9 . 1 1 31 31 THR CB C 31 71.374 71.374 66.809 4.565 25816 3884 1 9 . 1 1 31 31 THR H H 31 7.630 7.630 7.787 -0.157 25816 3885 1 9 . 1 1 32 32 TYR N N 32 121.998 121.998 125.593 -3.595 25816 3886 1 9 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.714 0.089 25816 3887 1 9 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.281 -3.482 25816 3888 1 9 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.023 -2.305 25816 3889 1 9 . 1 1 32 32 TYR H H 32 9.359 9.359 8.287 1.072 25816 3890 1 9 . 1 1 33 33 THR N N 33 114.039 114.039 116.590 -2.551 25816 3891 1 9 . 1 1 33 33 THR HA H 33 4.390 4.390 4.598 -0.208 25816 3892 1 9 . 1 1 33 33 THR CA C 33 59.896 59.896 61.041 -1.145 25816 3893 1 9 . 1 1 33 33 THR CB C 33 69.135 69.135 71.191 -2.056 25816 3894 1 9 . 1 1 33 33 THR H H 33 7.985 7.985 7.938 0.047 25816 3895 1 9 . 1 1 34 34 GLY N N 34 113.445 113.445 107.640 5.805 25816 3896 1 9 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.507 -1.435 25816 3897 1 9 . 1 1 34 34 GLY H H 34 8.698 8.698 8.337 0.361 25816 3898 1 9 . 1 1 35 35 SER N N 35 113.837 113.837 114.108 -0.271 25816 3899 1 9 . 1 1 35 35 SER HA H 35 4.264 4.264 4.663 -0.399 25816 3900 1 9 . 1 1 35 35 SER CA C 35 57.651 57.651 56.900 0.751 25816 3901 1 9 . 1 1 35 35 SER CB C 35 63.056 63.056 64.513 -1.457 25816 3902 1 9 . 1 1 35 35 SER H H 35 8.039 8.039 7.677 0.362 25816 3903 1 9 . 1 1 36 36 ASN N N 36 119.749 119.749 119.221 0.528 25816 3904 1 9 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.384 0.200 25816 3905 1 9 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.688 -1.907 25816 3906 1 9 . 1 1 36 36 ASN CB C 36 37.186 37.186 37.939 -0.753 25816 3907 1 9 . 1 1 36 36 ASN H H 36 8.767 8.767 8.502 0.265 25816 3908 1 9 . 1 1 37 37 GLY N N 37 110.628 110.628 106.284 4.344 25816 3909 1 9 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.989 -0.404 25816 3910 1 9 . 1 1 37 37 GLY H H 37 8.496 8.496 8.286 0.210 25816 3911 1 9 . 1 1 38 38 GLY N N 38 108.654 108.654 108.102 0.552 25816 3912 1 9 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.137 -1.037 25816 3913 1 9 . 1 1 38 38 GLY H H 38 7.955 7.955 7.916 0.039 25816 3914 1 9 . 1 1 39 39 ALA N N 39 123.326 123.326 127.869 -4.543 25816 3915 1 9 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.197 0.014 25816 3916 1 9 . 1 1 39 39 ALA CA C 39 50.838 50.838 53.120 -2.282 25816 3917 1 9 . 1 1 39 39 ALA CB C 39 18.729 18.729 18.352 0.378 25816 3918 1 9 . 1 1 39 39 ALA H H 39 8.028 8.028 8.351 -0.323 25816 3919 1 9 . 1 1 40 40 ASP N N 40 119.573 119.573 118.905 0.668 25816 3920 1 9 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.072 0.315 25816 3921 1 9 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.995 -1.001 25816 3922 1 9 . 1 1 40 40 ASP CB C 40 39.627 39.627 39.387 0.240 25816 3923 1 9 . 1 1 40 40 ASP H H 40 8.261 8.261 8.270 -0.009 25816 3924 1 9 . 1 1 41 41 LEU N N 41 123.899 123.899 124.892 -0.993 25816 3925 1 9 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.552 -0.110 25816 3926 1 9 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.114 -1.893 25816 3927 1 9 . 1 1 41 41 LEU CB C 41 43.009 43.009 44.617 -1.608 25816 3928 1 9 . 1 1 41 41 LEU H H 41 8.663 8.663 8.291 0.372 25816 3929 1 9 . 1 1 42 42 MET N N 42 119.684 119.684 124.745 -5.061 25816 3930 1 9 . 1 1 42 42 MET HA H 42 4.730 4.730 4.327 0.403 25816 3931 1 9 . 1 1 42 42 MET CA C 42 54.695 54.695 56.991 -2.296 25816 3932 1 9 . 1 1 42 42 MET CB C 42 32.194 32.194 32.618 -0.424 25816 3933 1 9 . 1 1 42 42 MET H H 42 8.553 8.553 8.398 0.155 25816 3934 1 9 . 1 1 43 43 GLY N N 43 113.052 113.052 111.370 1.682 25816 3935 1 9 . 1 1 43 43 GLY CA C 43 43.378 43.378 45.978 -2.600 25816 3936 1 9 . 1 1 43 43 GLY H H 43 8.618 8.618 8.288 0.330 25816 3937 1 9 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.558 0.162 25816 3938 1 9 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.005 -2.774 25816 3939 1 9 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.605 0.348 25816 3940 1 9 . 1 1 45 45 ALA N N 45 120.693 120.693 119.270 1.423 25816 3941 1 9 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.210 -0.226 25816 3942 1 9 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.073 -0.269 25816 3943 1 9 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.759 -0.792 25816 3944 1 9 . 1 1 45 45 ALA H H 45 7.524 7.524 8.132 -0.608 25816 3945 1 9 . 1 1 46 46 PHE N N 46 122.306 122.306 118.341 3.965 25816 3946 1 9 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.414 -0.452 25816 3947 1 9 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.145 1.181 25816 3948 1 9 . 1 1 46 46 PHE CB C 46 38.620 38.620 40.734 -2.114 25816 3949 1 9 . 1 1 46 46 PHE H H 46 8.603 8.603 7.621 0.982 25816 3950 1 9 . 1 1 47 47 ALA N N 47 123.253 123.253 122.835 0.418 25816 3951 1 9 . 1 1 47 47 ALA HA H 47 4.088 4.088 3.980 0.108 25816 3952 1 9 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.735 -0.784 25816 3953 1 9 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.273 -0.625 25816 3954 1 9 . 1 1 47 47 ALA H H 47 9.199 9.199 8.586 0.613 25816 3955 1 9 . 1 1 48 48 ALA N N 48 117.571 117.571 118.828 -1.257 25816 3956 1 9 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.258 0.045 25816 3957 1 9 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.768 -0.081 25816 3958 1 9 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.393 -0.621 25816 3959 1 9 . 1 1 48 48 ALA H H 48 7.262 7.262 7.582 -0.320 25816 3960 1 9 . 1 1 49 49 GLY N N 49 103.229 103.229 106.365 -3.136 25816 3961 1 9 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.926 -1.307 25816 3962 1 9 . 1 1 49 49 GLY H H 49 7.461 7.461 7.959 -0.498 25816 3963 1 9 . 1 1 50 50 LEU N N 50 120.470 120.470 120.947 -0.477 25816 3964 1 9 . 1 1 50 50 LEU HA H 50 3.518 3.518 3.999 -0.481 25816 3965 1 9 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.824 -1.412 25816 3966 1 9 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.865 0.090 25816 3967 1 9 . 1 1 50 50 LEU H H 50 7.224 7.224 7.984 -0.760 25816 3968 1 9 . 1 1 51 51 ARG N N 51 119.645 119.645 122.412 -2.767 25816 3969 1 9 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.113 -1.622 25816 3970 1 9 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.901 -1.085 25816 3971 1 9 . 1 1 51 51 ARG H H 51 8.678 8.678 8.264 0.414 25816 3972 1 9 . 1 1 52 52 VAL N N 52 119.995 119.995 118.340 1.655 25816 3973 1 9 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.975 -0.752 25816 3974 1 9 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.743 1.475 25816 3975 1 9 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.810 -0.661 25816 3976 1 9 . 1 1 52 52 VAL H H 52 8.482 8.482 8.258 0.224 25816 3977 1 9 . 1 1 53 53 GLY N N 53 117.052 117.052 115.125 1.927 25816 3978 1 9 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.970 -1.545 25816 3979 1 9 . 1 1 53 53 GLY H H 53 9.122 9.122 9.027 0.095 25816 3980 1 9 . 1 1 54 54 ASP N N 54 124.203 124.203 121.720 2.483 25816 3981 1 9 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.023 -0.190 25816 3982 1 9 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.036 0.698 25816 3983 1 9 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.111 -1.832 25816 3984 1 9 . 1 1 54 54 ASP H H 54 7.848 7.848 7.774 0.074 25816 3985 1 9 . 1 1 55 55 GLN N N 55 121.703 121.703 122.697 -0.994 25816 3986 1 9 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.893 -0.026 25816 3987 1 9 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.699 -2.173 25816 3988 1 9 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.916 -1.884 25816 3989 1 9 . 1 1 55 55 GLN H H 55 9.158 9.158 8.380 0.778 25816 3990 1 9 . 1 1 56 56 LEU N N 56 124.733 124.733 125.108 -0.375 25816 3991 1 9 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.584 -0.397 25816 3992 1 9 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.946 1.249 25816 3993 1 9 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.359 -0.346 25816 3994 1 9 . 1 1 56 56 LEU H H 56 8.770 8.770 8.082 0.688 25816 3995 1 9 . 1 1 57 57 VAL N N 57 123.383 123.383 118.366 5.017 25816 3996 1 9 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.452 -0.144 25816 3997 1 9 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.108 1.035 25816 3998 1 9 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.663 -1.028 25816 3999 1 9 . 1 1 57 57 VAL H H 57 8.889 8.889 8.134 0.755 25816 4000 1 9 . 1 1 58 58 ARG N N 58 118.094 118.094 118.600 -0.506 25816 4001 1 9 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.942 1.396 25816 4002 1 9 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.743 -3.531 25816 4003 1 9 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.816 4.798 25816 4004 1 9 . 1 1 58 58 ARG H H 58 8.531 8.531 7.609 0.922 25816 4005 1 9 . 1 1 59 59 PHE N N 59 123.332 123.332 118.114 5.218 25816 4006 1 9 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.584 0.351 25816 4007 1 9 . 1 1 59 59 PHE CA C 59 56.856 56.856 57.111 -0.255 25816 4008 1 9 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.041 1.930 25816 4009 1 9 . 1 1 59 59 PHE H H 59 9.295 9.295 7.775 1.520 25816 4010 1 9 . 1 1 60 60 ALA N N 60 127.537 127.537 128.200 -0.663 25816 4011 1 9 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.791 -0.204 25816 4012 1 9 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.540 -1.166 25816 4013 1 9 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.746 -2.273 25816 4014 1 9 . 1 1 60 60 ALA H H 60 8.356 8.356 8.683 -0.327 25816 4015 1 9 . 1 1 61 61 GLY N N 61 103.058 103.058 105.205 -2.147 25816 4016 1 9 . 1 1 61 61 GLY CA C 61 43.787 43.787 45.124 -1.337 25816 4017 1 9 . 1 1 61 61 GLY H H 61 9.178 9.178 7.912 1.266 25816 4018 1 9 . 1 1 62 62 TYR N N 62 120.218 120.218 112.285 7.933 25816 4019 1 9 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.658 -0.028 25816 4020 1 9 . 1 1 62 62 TYR CA C 62 56.577 56.577 56.737 -0.160 25816 4021 1 9 . 1 1 62 62 TYR CB C 62 38.892 38.892 37.772 1.120 25816 4022 1 9 . 1 1 62 62 TYR H H 62 7.888 7.888 7.314 0.574 25816 4023 1 9 . 1 1 63 63 THR N N 63 120.933 120.933 115.744 5.189 25816 4024 1 9 . 1 1 63 63 THR HA H 63 4.479 4.479 4.707 -0.228 25816 4025 1 9 . 1 1 63 63 THR CA C 63 62.851 62.851 61.516 1.335 25816 4026 1 9 . 1 1 63 63 THR CB C 63 67.848 67.848 70.733 -2.885 25816 4027 1 9 . 1 1 63 63 THR H H 63 9.108 9.108 7.711 1.397 25816 4028 1 9 . 1 1 64 64 VAL N N 64 121.039 121.039 125.772 -4.733 25816 4029 1 9 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.494 0.105 25816 4030 1 9 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.544 -0.677 25816 4031 1 9 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.902 -1.898 25816 4032 1 9 . 1 1 64 64 VAL H H 64 7.782 7.782 8.505 -0.723 25816 4033 1 9 . 1 1 65 65 THR N N 65 114.373 114.373 118.677 -4.304 25816 4034 1 9 . 1 1 65 65 THR HA H 65 4.452 4.452 4.452 0.000 25816 4035 1 9 . 1 1 65 65 THR CA C 65 60.536 60.536 62.705 -2.169 25816 4036 1 9 . 1 1 65 65 THR CB C 65 69.037 69.037 69.331 -0.294 25816 4037 1 9 . 1 1 65 65 THR H H 65 9.053 9.053 8.460 0.593 25816 4038 1 9 . 1 1 66 66 GLU N N 66 115.766 115.766 120.381 -4.615 25816 4039 1 9 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.464 0.099 25816 4040 1 9 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.615 -2.228 25816 4041 1 9 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.187 0.378 25816 4042 1 9 . 1 1 66 66 GLU H H 66 7.345 7.345 7.969 -0.624 25816 4043 1 9 . 1 1 67 67 LEU N N 67 124.674 124.674 119.108 5.566 25816 4044 1 9 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.518 -0.584 25816 4045 1 9 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.803 -0.268 25816 4046 1 9 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.834 0.219 25816 4047 1 9 . 1 1 67 67 LEU H H 67 8.906 8.906 8.495 0.411 25816 4048 1 9 . 1 1 68 68 ALA N N 68 120.493 120.493 122.596 -2.103 25816 4049 1 9 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.062 0.074 25816 4050 1 9 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.161 -0.487 25816 4051 1 9 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.868 -1.347 25816 4052 1 9 . 1 1 68 68 ALA H H 68 9.022 9.022 8.401 0.621 25816 4053 1 9 . 1 1 69 69 ALA N N 69 119.695 119.695 121.369 -1.674 25816 4054 1 9 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.056 0.106 25816 4055 1 9 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.875 -0.855 25816 4056 1 9 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.248 -0.585 25816 4057 1 9 . 1 1 69 69 ALA H H 69 7.258 7.258 7.677 -0.419 25816 4058 1 9 . 1 1 70 70 PHE N N 70 119.274 119.274 119.222 0.052 25816 4059 1 9 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.141 -0.182 25816 4060 1 9 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.570 -0.610 25816 4061 1 9 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.496 -1.064 25816 4062 1 9 . 1 1 70 70 PHE H H 70 7.769 7.769 7.996 -0.227 25816 4063 1 9 . 1 1 71 71 ASN N N 71 117.363 117.363 117.411 -0.048 25816 4064 1 9 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.452 -0.350 25816 4065 1 9 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.067 -1.370 25816 4066 1 9 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.414 -2.341 25816 4067 1 9 . 1 1 71 71 ASN H H 71 8.801 8.801 8.677 0.124 25816 4068 1 9 . 1 1 72 72 THR N N 72 119.746 119.746 117.928 1.818 25816 4069 1 9 . 1 1 72 72 THR HA H 72 4.220 4.220 4.092 0.128 25816 4070 1 9 . 1 1 72 72 THR CA C 72 65.927 65.927 67.275 -1.348 25816 4071 1 9 . 1 1 72 72 THR CB C 72 67.600 67.600 68.771 -1.171 25816 4072 1 9 . 1 1 72 72 THR H H 72 8.109 8.109 8.116 -0.007 25816 4073 1 9 . 1 1 73 73 VAL N N 73 123.156 123.156 121.973 1.183 25816 4074 1 9 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.423 0.032 25816 4075 1 9 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.920 -0.764 25816 4076 1 9 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.392 -1.056 25816 4077 1 9 . 1 1 73 73 VAL H H 73 7.744 7.744 7.985 -0.241 25816 4078 1 9 . 1 1 74 74 VAL N N 74 120.420 120.420 118.943 1.477 25816 4079 1 9 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.338 0.028 25816 4080 1 9 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.476 -0.878 25816 4081 1 9 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.247 -0.762 25816 4082 1 9 . 1 1 74 74 VAL H H 74 8.154 8.154 7.683 0.471 25816 4083 1 9 . 1 1 75 75 ALA N N 75 120.206 120.206 120.510 -0.304 25816 4084 1 9 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.052 -0.057 25816 4085 1 9 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.808 -0.809 25816 4086 1 9 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.497 -1.533 25816 4087 1 9 . 1 1 75 75 ALA H H 75 7.788 7.788 7.731 0.057 25816 4088 1 9 . 1 1 76 76 ARG N N 76 114.701 114.701 117.021 -2.320 25816 4089 1 9 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.117 -0.032 25816 4090 1 9 . 1 1 76 76 ARG CA C 76 56.982 56.982 58.136 -1.154 25816 4091 1 9 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.840 0.844 25816 4092 1 9 . 1 1 76 76 ARG H H 76 7.705 7.705 7.944 -0.239 25816 4093 1 9 . 1 1 77 77 HIS N N 77 112.695 112.695 116.931 -4.236 25816 4094 1 9 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.455 0.355 25816 4095 1 9 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.904 -0.743 25816 4096 1 9 . 1 1 77 77 HIS CB C 77 31.033 31.033 31.261 -0.228 25816 4097 1 9 . 1 1 77 77 HIS H H 77 8.123 8.123 8.132 -0.009 25816 4098 1 9 . 1 1 78 78 VAL N N 78 119.219 119.219 116.525 2.694 25816 4099 1 9 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.699 0.194 25816 4100 1 9 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.192 0.373 25816 4101 1 9 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.544 -1.416 25816 4102 1 9 . 1 1 78 78 VAL H H 78 8.034 8.034 7.843 0.192 25816 4103 1 9 . 1 1 79 79 ARG N N 79 126.908 126.908 121.905 5.003 25816 4104 1 9 . 1 1 79 79 ARG CA C 79 51.361 51.361 53.316 -1.955 25816 4105 1 9 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.955 -0.764 25816 4106 1 9 . 1 1 79 79 ARG H H 79 7.023 7.023 7.937 -0.914 25816 4107 1 9 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.484 -0.459 25816 4108 1 9 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.100 0.470 25816 4109 1 9 . 1 1 80 80 PRO CB C 80 31.212 31.212 30.869 0.343 25816 4110 1 9 . 1 1 81 81 SER N N 81 115.039 115.039 116.886 -1.847 25816 4111 1 9 . 1 1 81 81 SER HA H 81 4.047 4.047 4.149 -0.102 25816 4112 1 9 . 1 1 81 81 SER CA C 81 60.713 60.713 59.354 1.359 25816 4113 1 9 . 1 1 81 81 SER H H 81 8.210 8.210 8.392 -0.182 25816 4114 1 9 . 1 1 82 82 ALA N N 82 123.546 123.546 124.852 -1.306 25816 4115 1 9 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.662 -0.316 25816 4116 1 9 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.217 0.289 25816 4117 1 9 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.772 -2.677 25816 4118 1 9 . 1 1 82 82 ALA H H 82 7.770 7.770 7.432 0.338 25816 4119 1 9 . 1 1 83 83 SER N N 83 116.753 116.753 116.751 0.002 25816 4120 1 9 . 1 1 83 83 SER HA H 83 5.129 5.129 5.105 0.024 25816 4121 1 9 . 1 1 83 83 SER CA C 83 56.582 56.582 57.165 -0.583 25816 4122 1 9 . 1 1 83 83 SER CB C 83 62.554 62.554 63.670 -1.116 25816 4123 1 9 . 1 1 83 83 SER H H 83 8.524 8.524 8.456 0.068 25816 4124 1 9 . 1 1 84 84 ILE N N 84 126.985 126.985 126.723 0.262 25816 4125 1 9 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.153 -2.367 25816 4126 1 9 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.681 -2.257 25816 4127 1 9 . 1 1 84 84 ILE H H 84 9.599 9.599 8.136 1.463 25816 4128 1 9 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.469 0.476 25816 4129 1 9 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.684 -1.131 25816 4130 1 9 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.160 0.267 25816 4131 1 9 . 1 1 86 86 VAL N N 86 123.811 123.811 126.525 -2.714 25816 4132 1 9 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.292 0.557 25816 4133 1 9 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.316 -1.543 25816 4134 1 9 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.255 -0.611 25816 4135 1 9 . 1 1 86 86 VAL H H 86 9.033 9.033 7.824 1.209 25816 4136 1 9 . 1 1 87 87 VAL N N 87 127.839 127.839 125.951 1.888 25816 4137 1 9 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.231 0.741 25816 4138 1 9 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.407 -0.714 25816 4139 1 9 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.655 0.763 25816 4140 1 9 . 1 1 87 87 VAL H H 87 9.132 9.132 8.614 0.518 25816 4141 1 9 . 1 1 88 88 PHE N N 88 127.301 127.301 127.122 0.179 25816 4142 1 9 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.378 0.240 25816 4143 1 9 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.129 -0.918 25816 4144 1 9 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.937 -1.935 25816 4145 1 9 . 1 1 88 88 PHE H H 88 9.248 9.248 8.070 1.178 25816 4146 1 9 . 1 1 89 89 SER N N 89 113.734 113.734 115.709 -1.975 25816 4147 1 9 . 1 1 89 89 SER HA H 89 5.336 5.336 4.623 0.713 25816 4148 1 9 . 1 1 89 89 SER CA C 89 54.452 54.452 56.288 -1.835 25816 4149 1 9 . 1 1 89 89 SER CB C 89 64.474 64.474 65.886 -1.412 25816 4150 1 9 . 1 1 89 89 SER H H 89 9.689 9.689 7.989 1.700 25816 4151 1 9 . 1 1 90 90 ARG N N 90 128.114 128.114 123.676 4.438 25816 4152 1 9 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.545 0.202 25816 4153 1 9 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.968 -0.846 25816 4154 1 9 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.864 1.472 25816 4155 1 9 . 1 1 90 90 ARG H H 90 8.561 8.561 7.926 0.635 25816 4156 1 9 . 1 1 91 91 ASP N N 91 129.790 129.790 122.502 7.288 25816 4157 1 9 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.293 -0.024 25816 4158 1 9 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.438 -0.937 25816 4159 1 9 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.219 -0.138 25816 4160 1 9 . 1 1 91 91 ASP H H 91 9.461 9.461 8.763 0.698 25816 4161 1 9 . 1 1 92 92 GLY N N 92 102.404 102.404 101.970 0.434 25816 4162 1 9 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.915 -0.610 25816 4163 1 9 . 1 1 92 92 GLY H H 92 8.391 8.391 8.235 0.156 25816 4164 1 9 . 1 1 93 93 VAL N N 93 123.090 123.090 121.718 1.372 25816 4165 1 9 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.980 0.022 25816 4166 1 9 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.744 -1.478 25816 4167 1 9 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.311 -0.493 25816 4168 1 9 . 1 1 93 93 VAL H H 93 7.682 7.682 6.888 0.794 25816 4169 1 9 . 1 1 94 94 VAL N N 94 128.414 128.414 126.840 1.574 25816 4170 1 9 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.183 -0.049 25816 4171 1 9 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.202 1.138 25816 4172 1 9 . 1 1 94 94 VAL CB C 94 30.116 30.116 33.017 -2.901 25816 4173 1 9 . 1 1 94 94 VAL H H 94 8.400 8.400 8.170 0.230 25816 4174 1 9 . 1 1 95 95 MET N N 95 129.196 129.196 127.907 1.289 25816 4175 1 9 . 1 1 95 95 MET HA H 95 4.352 4.352 4.910 -0.558 25816 4176 1 9 . 1 1 95 95 MET CA C 95 53.674 53.674 54.157 -0.483 25816 4177 1 9 . 1 1 95 95 MET CB C 95 36.104 36.104 37.309 -1.205 25816 4178 1 9 . 1 1 95 95 MET H H 95 9.100 9.100 8.269 0.831 25816 4179 1 9 . 1 1 96 96 SER N N 96 111.540 111.540 114.841 -3.301 25816 4180 1 9 . 1 1 96 96 SER HA H 96 5.469 5.469 4.882 0.587 25816 4181 1 9 . 1 1 96 96 SER CA C 96 55.830 55.830 57.395 -1.565 25816 4182 1 9 . 1 1 96 96 SER CB C 96 65.471 65.471 64.715 0.756 25816 4183 1 9 . 1 1 96 96 SER H H 96 8.004 8.004 8.419 -0.415 25816 4184 1 9 . 1 1 97 97 ALA N N 97 124.079 124.079 128.985 -4.906 25816 4185 1 9 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.747 0.041 25816 4186 1 9 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.112 -1.713 25816 4187 1 9 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.976 0.568 25816 4188 1 9 . 1 1 97 97 ALA H H 97 9.145 9.145 8.260 0.885 25816 4189 1 9 . 1 1 98 98 THR N N 98 117.342 117.342 118.337 -0.995 25816 4190 1 9 . 1 1 98 98 THR HA H 98 4.823 4.823 4.548 0.275 25816 4191 1 9 . 1 1 98 98 THR CA C 98 61.053 61.053 62.170 -1.117 25816 4192 1 9 . 1 1 98 98 THR CB C 98 69.913 69.913 69.010 0.903 25816 4193 1 9 . 1 1 98 98 THR H H 98 8.754 8.754 8.325 0.429 25816 4194 1 9 . 1 1 99 99 ILE N N 99 125.689 125.689 124.243 1.446 25816 4195 1 9 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.540 -0.429 25816 4196 1 9 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.457 -1.088 25816 4197 1 9 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.702 0.989 25816 4198 1 9 . 1 1 99 99 ILE H H 99 8.868 8.868 8.046 0.822 25816 4199 1 9 . 1 1 100 100 VAL N N 100 129.871 129.871 123.401 6.470 25816 4200 1 9 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.719 -0.053 25816 4201 1 9 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.298 0.569 25816 4202 1 9 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.044 -1.434 25816 4203 1 9 . 1 1 100 100 VAL H H 100 8.818 8.818 8.415 0.403 25816 4204 1 9 . 1 1 101 101 VAL N N 101 128.299 128.299 127.460 0.839 25816 4205 1 9 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.239 -0.870 25816 4206 1 9 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.715 2.612 25816 4207 1 9 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.363 -0.389 25816 4208 1 9 . 1 1 101 101 VAL H H 101 8.795 8.795 7.750 1.045 25816 4209 1 9 . 1 1 102 102 GLY N N 102 115.466 115.466 114.591 0.875 25816 4210 1 9 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.329 -0.649 25816 4211 1 9 . 1 1 102 102 GLY H H 102 8.393 8.393 8.505 -0.112 25816 4212 1 9 . 1 1 103 103 GLU N N 103 119.459 119.459 123.513 -4.054 25816 4213 1 9 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.597 0.358 25816 4214 1 9 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.073 -2.327 25816 4215 1 9 . 1 1 103 103 GLU CB C 103 32.201 32.201 31.401 0.800 25816 4216 1 9 . 1 1 103 103 GLU H H 103 8.386 8.386 8.447 -0.061 25816 4217 1 9 . 1 1 104 104 LEU N N 104 123.881 123.881 120.682 3.199 25816 4218 1 9 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.416 0.284 25816 4219 1 9 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.658 -2.091 25816 4220 1 9 . 1 1 104 104 LEU CB C 104 44.058 44.058 41.765 2.293 25816 4221 1 9 . 1 1 104 104 LEU H H 104 8.735 8.735 7.928 0.807 25816 4222 1 10 . 1 1 2 2 LEU N N 2 122.611 122.611 123.276 -0.665 25816 4223 1 10 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.569 -0.177 25816 4224 1 10 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.967 -1.635 25816 4225 1 10 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.278 -0.961 25816 4226 1 10 . 1 1 2 2 LEU H H 2 8.535 8.535 8.355 0.180 25816 4227 1 10 . 1 1 3 3 THR N N 3 112.475 112.475 115.787 -3.312 25816 4228 1 10 . 1 1 3 3 THR HA H 3 4.777 4.777 4.611 0.166 25816 4229 1 10 . 1 1 3 3 THR CA C 3 59.259 59.259 62.399 -3.140 25816 4230 1 10 . 1 1 3 3 THR CB C 3 70.185 70.185 69.999 0.186 25816 4231 1 10 . 1 1 3 3 THR H H 3 7.903 7.903 8.160 -0.257 25816 4232 1 10 . 1 1 4 4 ARG N N 4 120.183 120.183 121.301 -1.118 25816 4233 1 10 . 1 1 4 4 ARG H H 4 8.809 8.809 8.579 0.230 25816 4234 1 10 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.599 -0.227 25816 4235 1 10 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.970 2.047 25816 4236 1 10 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.239 1.349 25816 4237 1 10 . 1 1 6 6 TYR N N 6 120.727 120.727 122.794 -2.067 25816 4238 1 10 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.642 -0.008 25816 4239 1 10 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.325 -1.249 25816 4240 1 10 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.599 -0.545 25816 4241 1 10 . 1 1 6 6 TYR H H 6 7.530 7.530 8.263 -0.733 25816 4242 1 10 . 1 1 7 7 LEU N N 7 126.575 126.575 123.902 2.673 25816 4243 1 10 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.695 -0.288 25816 4244 1 10 . 1 1 7 7 LEU H H 7 8.500 8.500 8.353 0.147 25816 4245 1 10 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.254 0.453 25816 4246 1 10 . 1 1 9 9 PHE N N 9 114.612 114.612 116.799 -2.187 25816 4247 1 10 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.340 0.018 25816 4248 1 10 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.850 -0.588 25816 4249 1 10 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.247 -0.793 25816 4250 1 10 . 1 1 9 9 PHE H H 9 7.102 7.102 7.547 -0.445 25816 4251 1 10 . 1 1 10 10 ARG N N 10 117.800 117.800 120.418 -2.618 25816 4252 1 10 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.735 -0.064 25816 4253 1 10 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.919 -1.520 25816 4254 1 10 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.870 0.945 25816 4255 1 10 . 1 1 10 10 ARG H H 10 8.206 8.206 8.596 -0.390 25816 4256 1 10 . 1 1 11 11 VAL N N 11 117.216 117.216 117.986 -0.770 25816 4257 1 10 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.804 0.363 25816 4258 1 10 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.309 -2.119 25816 4259 1 10 . 1 1 11 11 VAL CB C 11 33.875 33.875 33.812 0.063 25816 4260 1 10 . 1 1 11 11 VAL H H 11 8.601 8.601 8.439 0.162 25816 4261 1 10 . 1 1 12 12 ALA N N 12 123.025 123.025 131.210 -8.185 25816 4262 1 10 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.800 -0.220 25816 4263 1 10 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.953 -1.411 25816 4264 1 10 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.690 1.092 25816 4265 1 10 . 1 1 12 12 ALA H H 12 8.861 8.861 8.129 0.732 25816 4266 1 10 . 1 1 13 13 VAL N N 13 121.395 121.395 123.840 -2.445 25816 4267 1 10 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.172 0.379 25816 4268 1 10 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.084 0.199 25816 4269 1 10 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.719 -1.025 25816 4270 1 10 . 1 1 13 13 VAL H H 13 8.585 8.585 8.602 -0.017 25816 4271 1 10 . 1 1 14 14 GLY N N 14 117.546 117.546 116.637 0.909 25816 4272 1 10 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.463 -2.079 25816 4273 1 10 . 1 1 14 14 GLY H H 14 8.789 8.789 8.102 0.687 25816 4274 1 10 . 1 1 15 15 ARG N N 15 120.075 120.075 121.018 -0.943 25816 4275 1 10 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.736 0.374 25816 4276 1 10 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.729 -0.836 25816 4277 1 10 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.585 0.171 25816 4278 1 10 . 1 1 15 15 ARG H H 15 8.299 8.299 8.374 -0.075 25816 4279 1 10 . 1 1 16 16 ASP N N 16 123.872 123.872 120.996 2.876 25816 4280 1 10 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.706 0.039 25816 4281 1 10 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.946 -1.575 25816 4282 1 10 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.484 -0.732 25816 4283 1 10 . 1 1 16 16 ASP H H 16 8.619 8.619 8.339 0.280 25816 4284 1 10 . 1 1 17 17 SER N N 17 114.309 114.309 114.167 0.142 25816 4285 1 10 . 1 1 17 17 SER HA H 17 4.196 4.196 4.235 -0.039 25816 4286 1 10 . 1 1 17 17 SER CA C 17 59.950 59.950 60.485 -0.535 25816 4287 1 10 . 1 1 17 17 SER CB C 17 61.825 61.825 63.332 -1.507 25816 4288 1 10 . 1 1 17 17 SER H H 17 8.624 8.624 8.327 0.297 25816 4289 1 10 . 1 1 18 18 SER N N 18 117.903 117.903 115.290 2.613 25816 4290 1 10 . 1 1 18 18 SER HA H 18 4.597 4.597 4.442 0.155 25816 4291 1 10 . 1 1 18 18 SER CA C 18 57.732 57.732 58.846 -1.114 25816 4292 1 10 . 1 1 18 18 SER CB C 18 63.470 63.470 64.121 -0.651 25816 4293 1 10 . 1 1 18 18 SER H H 18 8.385 8.385 7.667 0.718 25816 4294 1 10 . 1 1 19 19 GLY N N 19 109.883 109.883 111.236 -1.353 25816 4295 1 10 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.109 -0.938 25816 4296 1 10 . 1 1 19 19 GLY H H 19 8.214 8.214 7.631 0.583 25816 4297 1 10 . 1 1 20 20 CYS N N 20 122.167 122.167 121.957 0.210 25816 4298 1 10 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.680 -0.192 25816 4299 1 10 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.545 0.492 25816 4300 1 10 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.186 -2.501 25816 4301 1 10 . 1 1 20 20 CYS H H 20 8.286 8.286 8.224 0.062 25816 4302 1 10 . 1 1 21 21 THR N N 21 119.387 119.387 112.327 7.060 25816 4303 1 10 . 1 1 21 21 THR HA H 21 4.764 4.764 3.933 0.831 25816 4304 1 10 . 1 1 21 21 THR CA C 21 61.953 61.953 63.239 -1.286 25816 4305 1 10 . 1 1 21 21 THR CB C 21 68.795 68.795 67.258 1.537 25816 4306 1 10 . 1 1 21 21 THR H H 21 8.626 8.626 7.954 0.672 25816 4307 1 10 . 1 1 22 22 THR N N 22 116.611 116.611 115.694 0.917 25816 4308 1 10 . 1 1 22 22 THR HA H 22 4.513 4.513 4.774 -0.261 25816 4309 1 10 . 1 1 22 22 THR CA C 22 58.918 58.918 60.066 -1.148 25816 4310 1 10 . 1 1 22 22 THR CB C 22 71.128 71.128 70.975 0.153 25816 4311 1 10 . 1 1 22 22 THR H H 22 8.343 8.343 7.564 0.779 25816 4312 1 10 . 1 1 23 23 LEU N N 23 122.893 122.893 123.963 -1.070 25816 4313 1 10 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.247 -0.315 25816 4314 1 10 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.752 -1.265 25816 4315 1 10 . 1 1 23 23 LEU CB C 23 42.265 42.265 45.723 -3.458 25816 4316 1 10 . 1 1 23 23 LEU H H 23 9.157 9.157 8.591 0.566 25816 4317 1 10 . 1 1 24 24 SER N N 24 116.771 116.771 114.662 2.109 25816 4318 1 10 . 1 1 24 24 SER HA H 24 5.173 5.173 5.022 0.150 25816 4319 1 10 . 1 1 24 24 SER CA C 24 55.247 55.247 57.785 -2.538 25816 4320 1 10 . 1 1 24 24 SER CB C 24 64.841 64.841 65.952 -1.111 25816 4321 1 10 . 1 1 24 24 SER H H 24 8.656 8.656 8.140 0.516 25816 4322 1 10 . 1 1 25 25 ILE N N 25 122.747 122.747 124.324 -1.577 25816 4323 1 10 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.693 -0.662 25816 4324 1 10 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.872 0.398 25816 4325 1 10 . 1 1 25 25 ILE CB C 25 34.649 34.649 38.214 -3.564 25816 4326 1 10 . 1 1 25 25 ILE H H 25 9.023 9.023 8.882 0.141 25816 4327 1 10 . 1 1 26 26 GLN N N 26 129.779 129.779 126.045 3.734 25816 4328 1 10 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.499 -0.070 25816 4329 1 10 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.958 -2.370 25816 4330 1 10 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.037 1.239 25816 4331 1 10 . 1 1 26 26 GLN H H 26 9.093 9.093 8.674 0.419 25816 4332 1 10 . 1 1 27 27 GLU N N 27 118.722 118.722 117.107 1.615 25816 4333 1 10 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.459 0.505 25816 4334 1 10 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.775 -0.753 25816 4335 1 10 . 1 1 27 27 GLU H H 27 7.479 7.479 7.925 -0.446 25816 4336 1 10 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.472 -0.029 25816 4337 1 10 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.863 0.292 25816 4338 1 10 . 1 1 28 28 VAL CB C 28 33.680 33.680 30.638 3.042 25816 4339 1 10 . 1 1 29 29 THR N N 29 124.459 124.459 117.388 7.071 25816 4340 1 10 . 1 1 29 29 THR HA H 29 4.183 4.183 4.333 -0.150 25816 4341 1 10 . 1 1 29 29 THR CA C 29 62.474 62.474 63.077 -0.603 25816 4342 1 10 . 1 1 29 29 THR CB C 29 68.811 68.811 68.795 0.016 25816 4343 1 10 . 1 1 29 29 THR H H 29 8.009 8.009 8.335 -0.326 25816 4344 1 10 . 1 1 30 30 GLN N N 30 130.053 130.053 118.287 11.766 25816 4345 1 10 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.424 -0.902 25816 4346 1 10 . 1 1 30 30 GLN CA C 30 58.886 58.886 58.014 0.872 25816 4347 1 10 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.996 -1.691 25816 4348 1 10 . 1 1 30 30 GLN H H 30 9.321 9.321 8.379 0.942 25816 4349 1 10 . 1 1 31 31 THR N N 31 111.234 111.234 112.605 -1.371 25816 4350 1 10 . 1 1 31 31 THR HA H 31 5.509 5.509 4.193 1.316 25816 4351 1 10 . 1 1 31 31 THR CA C 31 58.798 58.798 63.269 -4.471 25816 4352 1 10 . 1 1 31 31 THR CB C 31 71.374 71.374 68.027 3.347 25816 4353 1 10 . 1 1 31 31 THR H H 31 7.630 7.630 7.689 -0.059 25816 4354 1 10 . 1 1 32 32 TYR N N 32 121.998 121.998 126.186 -4.188 25816 4355 1 10 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.519 0.284 25816 4356 1 10 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.158 -3.359 25816 4357 1 10 . 1 1 32 32 TYR CB C 32 39.718 39.718 43.221 -3.503 25816 4358 1 10 . 1 1 32 32 TYR H H 32 9.359 9.359 7.899 1.460 25816 4359 1 10 . 1 1 33 33 THR N N 33 114.039 114.039 113.873 0.166 25816 4360 1 10 . 1 1 33 33 THR HA H 33 4.390 4.390 4.624 -0.234 25816 4361 1 10 . 1 1 33 33 THR CA C 33 59.896 59.896 61.388 -1.492 25816 4362 1 10 . 1 1 33 33 THR CB C 33 69.135 69.135 70.518 -1.383 25816 4363 1 10 . 1 1 33 33 THR H H 33 7.985 7.985 8.353 -0.368 25816 4364 1 10 . 1 1 34 34 GLY N N 34 113.445 113.445 111.659 1.786 25816 4365 1 10 . 1 1 34 34 GLY CA C 34 44.072 44.072 46.581 -2.509 25816 4366 1 10 . 1 1 34 34 GLY H H 34 8.698 8.698 8.133 0.565 25816 4367 1 10 . 1 1 35 35 SER N N 35 113.837 113.837 116.514 -2.677 25816 4368 1 10 . 1 1 35 35 SER HA H 35 4.264 4.264 4.517 -0.253 25816 4369 1 10 . 1 1 35 35 SER CA C 35 57.651 57.651 59.441 -1.790 25816 4370 1 10 . 1 1 35 35 SER CB C 35 63.056 63.056 63.870 -0.814 25816 4371 1 10 . 1 1 35 35 SER H H 35 8.039 8.039 8.792 -0.753 25816 4372 1 10 . 1 1 36 36 ASN N N 36 119.749 119.749 118.058 1.691 25816 4373 1 10 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.859 -0.275 25816 4374 1 10 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.802 -1.021 25816 4375 1 10 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.417 -2.231 25816 4376 1 10 . 1 1 36 36 ASN H H 36 8.767 8.767 8.351 0.416 25816 4377 1 10 . 1 1 37 37 GLY N N 37 110.628 110.628 106.275 4.353 25816 4378 1 10 . 1 1 37 37 GLY CA C 37 44.585 44.585 46.090 -1.505 25816 4379 1 10 . 1 1 37 37 GLY H H 37 8.496 8.496 7.988 0.508 25816 4380 1 10 . 1 1 38 38 GLY N N 38 108.654 108.654 106.483 2.171 25816 4381 1 10 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.689 -0.589 25816 4382 1 10 . 1 1 38 38 GLY H H 38 7.955 7.955 7.564 0.391 25816 4383 1 10 . 1 1 39 39 ALA N N 39 123.326 123.326 123.576 -0.250 25816 4384 1 10 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.036 0.175 25816 4385 1 10 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.545 -1.707 25816 4386 1 10 . 1 1 39 39 ALA CB C 39 18.729 18.729 17.897 0.832 25816 4387 1 10 . 1 1 39 39 ALA H H 39 8.028 8.028 7.477 0.551 25816 4388 1 10 . 1 1 40 40 ASP N N 40 119.573 119.573 118.315 1.258 25816 4389 1 10 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.124 0.263 25816 4390 1 10 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.848 -0.854 25816 4391 1 10 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.089 -0.462 25816 4392 1 10 . 1 1 40 40 ASP H H 40 8.261 8.261 8.083 0.178 25816 4393 1 10 . 1 1 41 41 LEU N N 41 123.899 123.899 124.516 -0.617 25816 4394 1 10 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.461 -0.019 25816 4395 1 10 . 1 1 41 41 LEU CA C 41 52.221 52.221 53.709 -1.488 25816 4396 1 10 . 1 1 41 41 LEU CB C 41 43.009 43.009 43.470 -0.461 25816 4397 1 10 . 1 1 41 41 LEU H H 41 8.663 8.663 8.130 0.533 25816 4398 1 10 . 1 1 42 42 MET N N 42 119.684 119.684 118.563 1.121 25816 4399 1 10 . 1 1 42 42 MET HA H 42 4.730 4.730 4.160 0.570 25816 4400 1 10 . 1 1 42 42 MET CA C 42 54.695 54.695 56.280 -1.585 25816 4401 1 10 . 1 1 42 42 MET CB C 42 32.194 32.194 31.843 0.351 25816 4402 1 10 . 1 1 42 42 MET H H 42 8.553 8.553 7.961 0.592 25816 4403 1 10 . 1 1 43 43 GLY N N 43 113.052 113.052 110.309 2.743 25816 4404 1 10 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.104 -2.726 25816 4405 1 10 . 1 1 43 43 GLY H H 43 8.618 8.618 8.439 0.179 25816 4406 1 10 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.759 -0.039 25816 4407 1 10 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.203 -2.972 25816 4408 1 10 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.617 0.336 25816 4409 1 10 . 1 1 45 45 ALA N N 45 120.693 120.693 122.264 -1.571 25816 4410 1 10 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.274 -0.290 25816 4411 1 10 . 1 1 45 45 ALA CA C 45 53.804 53.804 53.879 -0.075 25816 4412 1 10 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.759 -0.792 25816 4413 1 10 . 1 1 45 45 ALA H H 45 7.524 7.524 7.750 -0.226 25816 4414 1 10 . 1 1 46 46 PHE N N 46 122.306 122.306 120.372 1.934 25816 4415 1 10 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.178 -0.216 25816 4416 1 10 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.671 0.655 25816 4417 1 10 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.071 -0.451 25816 4418 1 10 . 1 1 46 46 PHE H H 46 8.603 8.603 8.349 0.254 25816 4419 1 10 . 1 1 47 47 ALA N N 47 123.253 123.253 121.472 1.781 25816 4420 1 10 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.090 -0.002 25816 4421 1 10 . 1 1 47 47 ALA CA C 47 53.951 53.951 53.874 0.077 25816 4422 1 10 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.417 -0.770 25816 4423 1 10 . 1 1 47 47 ALA H H 47 9.199 9.199 7.662 1.537 25816 4424 1 10 . 1 1 48 48 ALA N N 48 117.571 117.571 118.971 -1.400 25816 4425 1 10 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.234 0.069 25816 4426 1 10 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.958 -0.271 25816 4427 1 10 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.190 -1.418 25816 4428 1 10 . 1 1 48 48 ALA H H 48 7.262 7.262 7.480 -0.218 25816 4429 1 10 . 1 1 49 49 GLY N N 49 103.229 103.229 107.958 -4.729 25816 4430 1 10 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.959 -1.340 25816 4431 1 10 . 1 1 49 49 GLY H H 49 7.461 7.461 7.628 -0.167 25816 4432 1 10 . 1 1 50 50 LEU N N 50 120.470 120.470 121.335 -0.865 25816 4433 1 10 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.018 -0.500 25816 4434 1 10 . 1 1 50 50 LEU CA C 50 54.412 54.412 56.077 -1.665 25816 4435 1 10 . 1 1 50 50 LEU CB C 50 40.955 40.955 42.149 -1.194 25816 4436 1 10 . 1 1 50 50 LEU H H 50 7.224 7.224 7.294 -0.070 25816 4437 1 10 . 1 1 51 51 ARG N N 51 119.645 119.645 123.610 -3.965 25816 4438 1 10 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.652 -1.161 25816 4439 1 10 . 1 1 51 51 ARG CB C 51 33.816 33.816 33.499 0.317 25816 4440 1 10 . 1 1 51 51 ARG H H 51 8.678 8.678 7.935 0.743 25816 4441 1 10 . 1 1 52 52 VAL N N 52 119.995 119.995 117.365 2.630 25816 4442 1 10 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.907 -0.684 25816 4443 1 10 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.980 0.238 25816 4444 1 10 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.347 -1.198 25816 4445 1 10 . 1 1 52 52 VAL H H 52 8.482 8.482 8.221 0.261 25816 4446 1 10 . 1 1 53 53 GLY N N 53 117.052 117.052 114.292 2.760 25816 4447 1 10 . 1 1 53 53 GLY CA C 53 43.425 43.425 45.056 -1.631 25816 4448 1 10 . 1 1 53 53 GLY H H 53 9.122 9.122 8.942 0.180 25816 4449 1 10 . 1 1 54 54 ASP N N 54 124.203 124.203 119.967 4.236 25816 4450 1 10 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.018 -0.185 25816 4451 1 10 . 1 1 54 54 ASP CA C 54 54.734 54.734 52.962 1.772 25816 4452 1 10 . 1 1 54 54 ASP CB C 54 40.279 40.279 43.456 -3.177 25816 4453 1 10 . 1 1 54 54 ASP H H 54 7.848 7.848 7.669 0.179 25816 4454 1 10 . 1 1 55 55 GLN N N 55 121.703 121.703 121.058 0.645 25816 4455 1 10 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.689 0.178 25816 4456 1 10 . 1 1 55 55 GLN CA C 55 53.526 53.526 54.776 -1.250 25816 4457 1 10 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.881 -0.850 25816 4458 1 10 . 1 1 55 55 GLN H H 55 9.158 9.158 8.340 0.818 25816 4459 1 10 . 1 1 56 56 LEU N N 56 124.733 124.733 127.510 -2.777 25816 4460 1 10 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.497 -0.310 25816 4461 1 10 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.716 0.479 25816 4462 1 10 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.078 -0.065 25816 4463 1 10 . 1 1 56 56 LEU H H 56 8.770 8.770 8.562 0.208 25816 4464 1 10 . 1 1 57 57 VAL N N 57 123.383 123.383 124.196 -0.813 25816 4465 1 10 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.429 -0.121 25816 4466 1 10 . 1 1 57 57 VAL CA C 57 63.143 63.143 60.553 2.590 25816 4467 1 10 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.444 -0.809 25816 4468 1 10 . 1 1 57 57 VAL H H 57 8.889 8.889 7.903 0.986 25816 4469 1 10 . 1 1 58 58 ARG N N 58 118.094 118.094 120.332 -2.238 25816 4470 1 10 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.429 0.909 25816 4471 1 10 . 1 1 58 58 ARG CA C 58 54.212 54.212 55.716 -1.504 25816 4472 1 10 . 1 1 58 58 ARG CB C 58 34.613 34.613 32.531 2.082 25816 4473 1 10 . 1 1 58 58 ARG H H 58 8.531 8.531 8.526 0.005 25816 4474 1 10 . 1 1 59 59 PHE N N 59 123.332 123.332 120.151 3.181 25816 4475 1 10 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.619 0.316 25816 4476 1 10 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.319 0.537 25816 4477 1 10 . 1 1 59 59 PHE CB C 59 42.971 42.971 39.302 3.669 25816 4478 1 10 . 1 1 59 59 PHE H H 59 9.295 9.295 7.738 1.557 25816 4479 1 10 . 1 1 60 60 ALA N N 60 127.537 127.537 127.168 0.369 25816 4480 1 10 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.005 -0.418 25816 4481 1 10 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.275 -0.901 25816 4482 1 10 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.465 -2.992 25816 4483 1 10 . 1 1 60 60 ALA H H 60 8.356 8.356 8.667 -0.311 25816 4484 1 10 . 1 1 61 61 GLY N N 61 103.058 103.058 111.584 -8.526 25816 4485 1 10 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.301 -0.514 25816 4486 1 10 . 1 1 61 61 GLY H H 61 9.178 9.178 7.902 1.276 25816 4487 1 10 . 1 1 62 62 TYR N N 62 120.218 120.218 115.818 4.400 25816 4488 1 10 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.173 0.457 25816 4489 1 10 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.057 -1.480 25816 4490 1 10 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.382 3.510 25816 4491 1 10 . 1 1 62 62 TYR H H 62 7.888 7.888 7.400 0.488 25816 4492 1 10 . 1 1 63 63 THR N N 63 120.933 120.933 114.693 6.240 25816 4493 1 10 . 1 1 63 63 THR HA H 63 4.479 4.479 4.923 -0.444 25816 4494 1 10 . 1 1 63 63 THR CA C 63 62.851 62.851 61.369 1.482 25816 4495 1 10 . 1 1 63 63 THR CB C 63 67.848 67.848 71.126 -3.278 25816 4496 1 10 . 1 1 63 63 THR H H 63 9.108 9.108 7.826 1.282 25816 4497 1 10 . 1 1 64 64 VAL N N 64 121.039 121.039 125.979 -4.940 25816 4498 1 10 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.723 -0.124 25816 4499 1 10 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.524 -0.657 25816 4500 1 10 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.098 -2.094 25816 4501 1 10 . 1 1 64 64 VAL H H 64 7.782 7.782 8.538 -0.756 25816 4502 1 10 . 1 1 65 65 THR N N 65 114.373 114.373 119.988 -5.615 25816 4503 1 10 . 1 1 65 65 THR HA H 65 4.452 4.452 4.389 0.063 25816 4504 1 10 . 1 1 65 65 THR CA C 65 60.536 60.536 63.986 -3.450 25816 4505 1 10 . 1 1 65 65 THR CB C 65 69.037 69.037 69.346 -0.309 25816 4506 1 10 . 1 1 65 65 THR H H 65 9.053 9.053 8.350 0.703 25816 4507 1 10 . 1 1 66 66 GLU N N 66 115.766 115.766 119.169 -3.403 25816 4508 1 10 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.523 0.040 25816 4509 1 10 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.764 -2.377 25816 4510 1 10 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.977 0.588 25816 4511 1 10 . 1 1 66 66 GLU H H 66 7.345 7.345 7.755 -0.410 25816 4512 1 10 . 1 1 67 67 LEU N N 67 124.674 124.674 117.881 6.793 25816 4513 1 10 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.570 -0.636 25816 4514 1 10 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.680 -0.145 25816 4515 1 10 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.953 0.100 25816 4516 1 10 . 1 1 67 67 LEU H H 67 8.906 8.906 8.415 0.491 25816 4517 1 10 . 1 1 68 68 ALA N N 68 120.493 120.493 121.594 -1.101 25816 4518 1 10 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.055 0.081 25816 4519 1 10 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.943 -0.269 25816 4520 1 10 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.661 -1.140 25816 4521 1 10 . 1 1 68 68 ALA H H 68 9.022 9.022 8.543 0.479 25816 4522 1 10 . 1 1 69 69 ALA N N 69 119.695 119.695 120.546 -0.851 25816 4523 1 10 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.171 -0.009 25816 4524 1 10 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.547 -0.527 25816 4525 1 10 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.532 -0.869 25816 4526 1 10 . 1 1 69 69 ALA H H 69 7.258 7.258 7.703 -0.445 25816 4527 1 10 . 1 1 70 70 PHE N N 70 119.274 119.274 119.672 -0.398 25816 4528 1 10 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.126 -0.167 25816 4529 1 10 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.080 0.880 25816 4530 1 10 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.137 -0.705 25816 4531 1 10 . 1 1 70 70 PHE H H 70 7.769 7.769 7.550 0.219 25816 4532 1 10 . 1 1 71 71 ASN N N 71 117.363 117.363 117.362 0.001 25816 4533 1 10 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.053 0.049 25816 4534 1 10 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.630 -1.933 25816 4535 1 10 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.687 -2.614 25816 4536 1 10 . 1 1 71 71 ASN H H 71 8.801 8.801 8.152 0.649 25816 4537 1 10 . 1 1 72 72 THR N N 72 119.746 119.746 114.580 5.166 25816 4538 1 10 . 1 1 72 72 THR HA H 72 4.220 4.220 4.027 0.193 25816 4539 1 10 . 1 1 72 72 THR CA C 72 65.927 65.927 65.490 0.437 25816 4540 1 10 . 1 1 72 72 THR CB C 72 67.600 67.600 68.429 -0.829 25816 4541 1 10 . 1 1 72 72 THR H H 72 8.109 8.109 7.581 0.528 25816 4542 1 10 . 1 1 73 73 VAL N N 73 123.156 123.156 122.694 0.462 25816 4543 1 10 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.415 0.040 25816 4544 1 10 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.457 -0.301 25816 4545 1 10 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.614 -0.278 25816 4546 1 10 . 1 1 73 73 VAL H H 73 7.744 7.744 7.636 0.108 25816 4547 1 10 . 1 1 74 74 VAL N N 74 120.420 120.420 119.820 0.600 25816 4548 1 10 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.636 -0.270 25816 4549 1 10 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.474 1.124 25816 4550 1 10 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.783 -0.298 25816 4551 1 10 . 1 1 74 74 VAL H H 74 8.154 8.154 8.010 0.144 25816 4552 1 10 . 1 1 75 75 ALA N N 75 120.206 120.206 119.715 0.491 25816 4553 1 10 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.049 -0.054 25816 4554 1 10 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.240 -0.241 25816 4555 1 10 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.484 -1.520 25816 4556 1 10 . 1 1 75 75 ALA H H 75 7.788 7.788 7.529 0.259 25816 4557 1 10 . 1 1 76 76 ARG N N 76 114.701 114.701 117.431 -2.730 25816 4558 1 10 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.125 -0.040 25816 4559 1 10 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.176 -0.194 25816 4560 1 10 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.200 0.484 25816 4561 1 10 . 1 1 76 76 ARG H H 76 7.705 7.705 7.817 -0.112 25816 4562 1 10 . 1 1 77 77 HIS N N 77 112.695 112.695 119.122 -6.427 25816 4563 1 10 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.593 0.217 25816 4564 1 10 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.654 1.507 25816 4565 1 10 . 1 1 77 77 HIS CB C 77 31.033 31.033 28.340 2.693 25816 4566 1 10 . 1 1 77 77 HIS H H 77 8.123 8.123 7.804 0.319 25816 4567 1 10 . 1 1 78 78 VAL N N 78 119.219 119.219 125.109 -5.890 25816 4568 1 10 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.478 -0.585 25816 4569 1 10 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.201 2.364 25816 4570 1 10 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.096 -1.968 25816 4571 1 10 . 1 1 78 78 VAL H H 78 8.034 8.034 8.064 -0.030 25816 4572 1 10 . 1 1 79 79 ARG N N 79 126.908 126.908 124.235 2.673 25816 4573 1 10 . 1 1 79 79 ARG CA C 79 51.361 51.361 53.133 -1.772 25816 4574 1 10 . 1 1 79 79 ARG CB C 79 30.191 30.191 31.933 -1.742 25816 4575 1 10 . 1 1 79 79 ARG H H 79 7.023 7.023 7.727 -0.704 25816 4576 1 10 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.460 -0.435 25816 4577 1 10 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.221 -0.651 25816 4578 1 10 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.202 -0.990 25816 4579 1 10 . 1 1 81 81 SER N N 81 115.039 115.039 113.486 1.553 25816 4580 1 10 . 1 1 81 81 SER HA H 81 4.047 4.047 4.576 -0.529 25816 4581 1 10 . 1 1 81 81 SER CA C 81 60.713 60.713 58.443 2.270 25816 4582 1 10 . 1 1 81 81 SER H H 81 8.210 8.210 7.527 0.683 25816 4583 1 10 . 1 1 82 82 ALA N N 82 123.546 123.546 128.383 -4.837 25816 4584 1 10 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.662 -0.316 25816 4585 1 10 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.184 0.322 25816 4586 1 10 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.436 -2.341 25816 4587 1 10 . 1 1 82 82 ALA H H 82 7.770 7.770 7.806 -0.036 25816 4588 1 10 . 1 1 83 83 SER N N 83 116.753 116.753 119.286 -2.533 25816 4589 1 10 . 1 1 83 83 SER HA H 83 5.129 5.129 4.518 0.611 25816 4590 1 10 . 1 1 83 83 SER CA C 83 56.582 56.582 58.749 -2.167 25816 4591 1 10 . 1 1 83 83 SER CB C 83 62.554 62.554 63.069 -0.515 25816 4592 1 10 . 1 1 83 83 SER H H 83 8.524 8.524 8.622 -0.098 25816 4593 1 10 . 1 1 84 84 ILE N N 84 126.985 126.985 127.351 -0.366 25816 4594 1 10 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.788 -3.002 25816 4595 1 10 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.732 -2.308 25816 4596 1 10 . 1 1 84 84 ILE H H 84 9.599 9.599 7.926 1.673 25816 4597 1 10 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.450 0.495 25816 4598 1 10 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.682 -1.128 25816 4599 1 10 . 1 1 85 85 PRO CB C 85 31.427 31.427 30.909 0.518 25816 4600 1 10 . 1 1 86 86 VAL N N 86 123.811 123.811 127.129 -3.318 25816 4601 1 10 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.302 0.547 25816 4602 1 10 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.498 -1.725 25816 4603 1 10 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.279 -0.635 25816 4604 1 10 . 1 1 86 86 VAL H H 86 9.033 9.033 7.822 1.211 25816 4605 1 10 . 1 1 87 87 VAL N N 87 127.839 127.839 127.257 0.582 25816 4606 1 10 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.229 0.743 25816 4607 1 10 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.877 -1.184 25816 4608 1 10 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.636 0.782 25816 4609 1 10 . 1 1 87 87 VAL H H 87 9.132 9.132 8.628 0.504 25816 4610 1 10 . 1 1 88 88 PHE N N 88 127.301 127.301 128.983 -1.682 25816 4611 1 10 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.528 0.090 25816 4612 1 10 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.352 -1.141 25816 4613 1 10 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.967 -1.965 25816 4614 1 10 . 1 1 88 88 PHE H H 88 9.248 9.248 8.116 1.132 25816 4615 1 10 . 1 1 89 89 SER N N 89 113.734 113.734 118.686 -4.952 25816 4616 1 10 . 1 1 89 89 SER HA H 89 5.336 5.336 4.558 0.778 25816 4617 1 10 . 1 1 89 89 SER CA C 89 54.452 54.452 56.652 -2.200 25816 4618 1 10 . 1 1 89 89 SER CB C 89 64.474 64.474 66.294 -1.820 25816 4619 1 10 . 1 1 89 89 SER H H 89 9.689 9.689 8.040 1.649 25816 4620 1 10 . 1 1 90 90 ARG N N 90 128.114 128.114 123.579 4.535 25816 4621 1 10 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.545 0.202 25816 4622 1 10 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.437 -1.315 25816 4623 1 10 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.021 1.315 25816 4624 1 10 . 1 1 90 90 ARG H H 90 8.561 8.561 7.674 0.887 25816 4625 1 10 . 1 1 91 91 ASP N N 91 129.790 129.790 121.852 7.938 25816 4626 1 10 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.363 -0.094 25816 4627 1 10 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.848 -0.347 25816 4628 1 10 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.100 -0.019 25816 4629 1 10 . 1 1 91 91 ASP H H 91 9.461 9.461 8.567 0.894 25816 4630 1 10 . 1 1 92 92 GLY N N 92 102.404 102.404 103.387 -0.983 25816 4631 1 10 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.949 -0.644 25816 4632 1 10 . 1 1 92 92 GLY H H 92 8.391 8.391 8.488 -0.097 25816 4633 1 10 . 1 1 93 93 VAL N N 93 123.090 123.090 121.093 1.997 25816 4634 1 10 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.837 0.165 25816 4635 1 10 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.678 -1.412 25816 4636 1 10 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.533 -0.716 25816 4637 1 10 . 1 1 93 93 VAL H H 93 7.682 7.682 6.768 0.914 25816 4638 1 10 . 1 1 94 94 VAL N N 94 128.414 128.414 126.365 2.049 25816 4639 1 10 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.976 0.158 25816 4640 1 10 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.469 0.871 25816 4641 1 10 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.260 -2.144 25816 4642 1 10 . 1 1 94 94 VAL H H 94 8.400 8.400 8.096 0.304 25816 4643 1 10 . 1 1 95 95 MET N N 95 129.196 129.196 129.531 -0.335 25816 4644 1 10 . 1 1 95 95 MET HA H 95 4.352 4.352 4.857 -0.505 25816 4645 1 10 . 1 1 95 95 MET CA C 95 53.674 53.674 54.134 -0.460 25816 4646 1 10 . 1 1 95 95 MET CB C 95 36.104 36.104 36.935 -0.831 25816 4647 1 10 . 1 1 95 95 MET H H 95 9.100 9.100 8.330 0.770 25816 4648 1 10 . 1 1 96 96 SER N N 96 111.540 111.540 117.460 -5.920 25816 4649 1 10 . 1 1 96 96 SER HA H 96 5.469 5.469 4.899 0.570 25816 4650 1 10 . 1 1 96 96 SER CA C 96 55.830 55.830 57.453 -1.623 25816 4651 1 10 . 1 1 96 96 SER CB C 96 65.471 65.471 64.832 0.639 25816 4652 1 10 . 1 1 96 96 SER H H 96 8.004 8.004 8.395 -0.391 25816 4653 1 10 . 1 1 97 97 ALA N N 97 124.079 124.079 129.075 -4.996 25816 4654 1 10 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.735 0.053 25816 4655 1 10 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.183 -1.784 25816 4656 1 10 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.156 0.388 25816 4657 1 10 . 1 1 97 97 ALA H H 97 9.145 9.145 8.178 0.967 25816 4658 1 10 . 1 1 98 98 THR N N 98 117.342 117.342 118.163 -0.821 25816 4659 1 10 . 1 1 98 98 THR HA H 98 4.823 4.823 4.930 -0.107 25816 4660 1 10 . 1 1 98 98 THR CA C 98 61.053 61.053 61.838 -0.785 25816 4661 1 10 . 1 1 98 98 THR CB C 98 69.913 69.913 69.535 0.378 25816 4662 1 10 . 1 1 98 98 THR H H 98 8.754 8.754 8.305 0.449 25816 4663 1 10 . 1 1 99 99 ILE N N 99 125.689 125.689 125.030 0.659 25816 4664 1 10 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.471 -0.360 25816 4665 1 10 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.589 -1.220 25816 4666 1 10 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.553 1.139 25816 4667 1 10 . 1 1 99 99 ILE H H 99 8.868 8.868 7.976 0.892 25816 4668 1 10 . 1 1 100 100 VAL N N 100 129.871 129.871 124.194 5.677 25816 4669 1 10 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.668 -0.002 25816 4670 1 10 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.639 0.228 25816 4671 1 10 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.554 -1.944 25816 4672 1 10 . 1 1 100 100 VAL H H 100 8.818 8.818 8.366 0.452 25816 4673 1 10 . 1 1 101 101 VAL N N 101 128.299 128.299 127.574 0.725 25816 4674 1 10 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.085 -0.716 25816 4675 1 10 . 1 1 101 101 VAL CA C 101 64.327 64.327 63.181 1.146 25816 4676 1 10 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.805 -2.831 25816 4677 1 10 . 1 1 101 101 VAL H H 101 8.795 8.795 7.646 1.149 25816 4678 1 10 . 1 1 102 102 GLY N N 102 115.466 115.466 114.945 0.521 25816 4679 1 10 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.950 -1.270 25816 4680 1 10 . 1 1 102 102 GLY H H 102 8.393 8.393 8.344 0.049 25816 4681 1 10 . 1 1 103 103 GLU N N 103 119.459 119.459 121.395 -1.936 25816 4682 1 10 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.549 0.406 25816 4683 1 10 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.499 -1.754 25816 4684 1 10 . 1 1 103 103 GLU CB C 103 32.201 32.201 29.565 2.636 25816 4685 1 10 . 1 1 103 103 GLU H H 103 8.386 8.386 7.966 0.420 25816 4686 1 10 . 1 1 104 104 LEU N N 104 123.881 123.881 117.404 6.477 25816 4687 1 10 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.352 0.348 25816 4688 1 10 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.781 -3.213 25816 4689 1 10 . 1 1 104 104 LEU CB C 104 44.058 44.058 43.629 0.429 25816 4690 1 10 . 1 1 104 104 LEU H H 104 8.735 8.735 7.862 0.873 25816 4691 1 11 . 1 1 2 2 LEU N N 2 122.611 122.611 123.317 -0.706 25816 4692 1 11 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.702 -0.310 25816 4693 1 11 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.331 -0.999 25816 4694 1 11 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.815 -1.498 25816 4695 1 11 . 1 1 2 2 LEU H H 2 8.535 8.535 8.304 0.231 25816 4696 1 11 . 1 1 3 3 THR N N 3 112.475 112.475 116.314 -3.839 25816 4697 1 11 . 1 1 3 3 THR HA H 3 4.777 4.777 4.559 0.218 25816 4698 1 11 . 1 1 3 3 THR CA C 3 59.259 59.259 61.429 -2.170 25816 4699 1 11 . 1 1 3 3 THR CB C 3 70.185 70.185 70.374 -0.189 25816 4700 1 11 . 1 1 3 3 THR H H 3 7.903 7.903 7.891 0.012 25816 4701 1 11 . 1 1 4 4 ARG N N 4 120.183 120.183 122.073 -1.890 25816 4702 1 11 . 1 1 4 4 ARG H H 4 8.809 8.809 8.362 0.447 25816 4703 1 11 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.445 -0.073 25816 4704 1 11 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.286 2.731 25816 4705 1 11 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.556 -0.968 25816 4706 1 11 . 1 1 6 6 TYR N N 6 120.727 120.727 118.697 2.030 25816 4707 1 11 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.500 0.134 25816 4708 1 11 . 1 1 6 6 TYR CA C 6 56.076 56.076 58.446 -2.370 25816 4709 1 11 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.394 1.660 25816 4710 1 11 . 1 1 6 6 TYR H H 6 7.530 7.530 8.299 -0.769 25816 4711 1 11 . 1 1 7 7 LEU N N 7 126.575 126.575 124.602 1.973 25816 4712 1 11 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.702 -0.295 25816 4713 1 11 . 1 1 7 7 LEU H H 7 8.500 8.500 8.715 -0.215 25816 4714 1 11 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.334 0.373 25816 4715 1 11 . 1 1 9 9 PHE N N 9 114.612 114.612 119.170 -4.558 25816 4716 1 11 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.819 0.539 25816 4717 1 11 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.498 -0.236 25816 4718 1 11 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.126 -0.672 25816 4719 1 11 . 1 1 9 9 PHE H H 9 7.102 7.102 7.976 -0.874 25816 4720 1 11 . 1 1 10 10 ARG N N 10 117.800 117.800 120.147 -2.347 25816 4721 1 11 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.438 0.233 25816 4722 1 11 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.783 -1.384 25816 4723 1 11 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.551 1.264 25816 4724 1 11 . 1 1 10 10 ARG H H 10 8.206 8.206 8.297 -0.091 25816 4725 1 11 . 1 1 11 11 VAL N N 11 117.216 117.216 116.025 1.191 25816 4726 1 11 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.102 0.065 25816 4727 1 11 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.068 -1.878 25816 4728 1 11 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.176 -1.301 25816 4729 1 11 . 1 1 11 11 VAL H H 11 8.601 8.601 8.054 0.547 25816 4730 1 11 . 1 1 12 12 ALA N N 12 123.025 123.025 128.639 -5.614 25816 4731 1 11 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.770 -0.190 25816 4732 1 11 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.674 -1.131 25816 4733 1 11 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.120 1.662 25816 4734 1 11 . 1 1 12 12 ALA H H 12 8.861 8.861 8.117 0.744 25816 4735 1 11 . 1 1 13 13 VAL N N 13 121.395 121.395 123.715 -2.320 25816 4736 1 11 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.051 0.500 25816 4737 1 11 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.362 -1.079 25816 4738 1 11 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.078 -0.384 25816 4739 1 11 . 1 1 13 13 VAL H H 13 8.585 8.585 8.727 -0.142 25816 4740 1 11 . 1 1 14 14 GLY N N 14 117.546 117.546 116.927 0.619 25816 4741 1 11 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.515 -2.131 25816 4742 1 11 . 1 1 14 14 GLY H H 14 8.789 8.789 8.202 0.587 25816 4743 1 11 . 1 1 15 15 ARG N N 15 120.075 120.075 121.159 -1.084 25816 4744 1 11 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.747 0.363 25816 4745 1 11 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.242 -1.349 25816 4746 1 11 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.904 -0.148 25816 4747 1 11 . 1 1 15 15 ARG H H 15 8.299 8.299 8.392 -0.093 25816 4748 1 11 . 1 1 16 16 ASP N N 16 123.872 123.872 122.213 1.659 25816 4749 1 11 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.825 -0.080 25816 4750 1 11 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.035 -1.665 25816 4751 1 11 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.816 -1.065 25816 4752 1 11 . 1 1 16 16 ASP H H 16 8.619 8.619 8.470 0.149 25816 4753 1 11 . 1 1 17 17 SER N N 17 114.309 114.309 113.868 0.441 25816 4754 1 11 . 1 1 17 17 SER HA H 17 4.196 4.196 4.164 0.032 25816 4755 1 11 . 1 1 17 17 SER CA C 17 59.950 59.950 60.560 -0.610 25816 4756 1 11 . 1 1 17 17 SER CB C 17 61.825 61.825 63.377 -1.552 25816 4757 1 11 . 1 1 17 17 SER H H 17 8.624 8.624 8.559 0.065 25816 4758 1 11 . 1 1 18 18 SER N N 18 117.903 117.903 117.273 0.630 25816 4759 1 11 . 1 1 18 18 SER HA H 18 4.597 4.597 4.401 0.196 25816 4760 1 11 . 1 1 18 18 SER CA C 18 57.732 57.732 59.184 -1.452 25816 4761 1 11 . 1 1 18 18 SER CB C 18 63.470 63.470 64.099 -0.629 25816 4762 1 11 . 1 1 18 18 SER H H 18 8.385 8.385 7.839 0.546 25816 4763 1 11 . 1 1 19 19 GLY N N 19 109.883 109.883 110.191 -0.308 25816 4764 1 11 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.157 -0.986 25816 4765 1 11 . 1 1 19 19 GLY H H 19 8.214 8.214 8.240 -0.026 25816 4766 1 11 . 1 1 20 20 CYS N N 20 122.167 122.167 119.198 2.969 25816 4767 1 11 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.694 -0.206 25816 4768 1 11 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.868 0.168 25816 4769 1 11 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.587 -2.902 25816 4770 1 11 . 1 1 20 20 CYS H H 20 8.286 8.286 8.254 0.032 25816 4771 1 11 . 1 1 21 21 THR N N 21 119.387 119.387 116.247 3.140 25816 4772 1 11 . 1 1 21 21 THR HA H 21 4.764 4.764 4.225 0.539 25816 4773 1 11 . 1 1 21 21 THR CA C 21 61.953 61.953 62.875 -0.922 25816 4774 1 11 . 1 1 21 21 THR CB C 21 68.795 68.795 67.687 1.108 25816 4775 1 11 . 1 1 21 21 THR H H 21 8.626 8.626 7.868 0.758 25816 4776 1 11 . 1 1 22 22 THR N N 22 116.611 116.611 115.002 1.609 25816 4777 1 11 . 1 1 22 22 THR HA H 22 4.513 4.513 4.696 -0.183 25816 4778 1 11 . 1 1 22 22 THR CA C 22 58.918 58.918 60.260 -1.341 25816 4779 1 11 . 1 1 22 22 THR CB C 22 71.128 71.128 70.796 0.332 25816 4780 1 11 . 1 1 22 22 THR H H 22 8.343 8.343 8.111 0.232 25816 4781 1 11 . 1 1 23 23 LEU N N 23 122.893 122.893 124.644 -1.751 25816 4782 1 11 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.013 -0.081 25816 4783 1 11 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.905 -1.418 25816 4784 1 11 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.056 -0.791 25816 4785 1 11 . 1 1 23 23 LEU H H 23 9.157 9.157 8.771 0.386 25816 4786 1 11 . 1 1 24 24 SER N N 24 116.771 116.771 118.107 -1.336 25816 4787 1 11 . 1 1 24 24 SER HA H 24 5.173 5.173 4.645 0.528 25816 4788 1 11 . 1 1 24 24 SER CA C 24 55.247 55.247 57.674 -2.427 25816 4789 1 11 . 1 1 24 24 SER CB C 24 64.841 64.841 63.999 0.842 25816 4790 1 11 . 1 1 24 24 SER H H 24 8.656 8.656 7.994 0.662 25816 4791 1 11 . 1 1 25 25 ILE N N 25 122.747 122.747 126.760 -4.013 25816 4792 1 11 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.648 -0.617 25816 4793 1 11 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.281 1.989 25816 4794 1 11 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.210 -1.561 25816 4795 1 11 . 1 1 25 25 ILE H H 25 9.023 9.023 8.963 0.060 25816 4796 1 11 . 1 1 26 26 GLN N N 26 129.779 129.779 126.096 3.683 25816 4797 1 11 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.431 -0.002 25816 4798 1 11 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.677 -2.090 25816 4799 1 11 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.624 0.652 25816 4800 1 11 . 1 1 26 26 GLN H H 26 9.093 9.093 8.389 0.704 25816 4801 1 11 . 1 1 27 27 GLU N N 27 118.722 118.722 118.411 0.311 25816 4802 1 11 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.417 -0.453 25816 4803 1 11 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.979 -0.957 25816 4804 1 11 . 1 1 27 27 GLU H H 27 7.479 7.479 7.874 -0.395 25816 4805 1 11 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.493 -0.050 25816 4806 1 11 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.127 0.028 25816 4807 1 11 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.991 1.689 25816 4808 1 11 . 1 1 29 29 THR N N 29 124.459 124.459 115.763 8.696 25816 4809 1 11 . 1 1 29 29 THR HA H 29 4.183 4.183 4.112 0.071 25816 4810 1 11 . 1 1 29 29 THR CA C 29 62.474 62.474 63.384 -0.910 25816 4811 1 11 . 1 1 29 29 THR CB C 29 68.811 68.811 68.773 0.038 25816 4812 1 11 . 1 1 29 29 THR H H 29 8.009 8.009 8.231 -0.222 25816 4813 1 11 . 1 1 30 30 GLN N N 30 130.053 130.053 120.686 9.367 25816 4814 1 11 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.313 -0.791 25816 4815 1 11 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.922 1.964 25816 4816 1 11 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.365 -0.060 25816 4817 1 11 . 1 1 30 30 GLN H H 30 9.321 9.321 8.332 0.989 25816 4818 1 11 . 1 1 31 31 THR N N 31 111.234 111.234 111.626 -0.392 25816 4819 1 11 . 1 1 31 31 THR HA H 31 5.509 5.509 4.713 0.796 25816 4820 1 11 . 1 1 31 31 THR CA C 31 58.798 58.798 62.370 -3.572 25816 4821 1 11 . 1 1 31 31 THR CB C 31 71.374 71.374 69.719 1.655 25816 4822 1 11 . 1 1 31 31 THR H H 31 7.630 7.630 8.256 -0.626 25816 4823 1 11 . 1 1 32 32 TYR N N 32 121.998 121.998 119.175 2.823 25816 4824 1 11 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.778 0.025 25816 4825 1 11 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.956 -3.157 25816 4826 1 11 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.503 -2.785 25816 4827 1 11 . 1 1 32 32 TYR H H 32 9.359 9.359 7.750 1.609 25816 4828 1 11 . 1 1 33 33 THR N N 33 114.039 114.039 115.864 -1.825 25816 4829 1 11 . 1 1 33 33 THR HA H 33 4.390 4.390 4.559 -0.169 25816 4830 1 11 . 1 1 33 33 THR CA C 33 59.896 59.896 62.031 -2.135 25816 4831 1 11 . 1 1 33 33 THR CB C 33 69.135 69.135 70.183 -1.048 25816 4832 1 11 . 1 1 33 33 THR H H 33 7.985 7.985 8.662 -0.677 25816 4833 1 11 . 1 1 34 34 GLY N N 34 113.445 113.445 108.933 4.512 25816 4834 1 11 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.230 -1.158 25816 4835 1 11 . 1 1 34 34 GLY H H 34 8.698 8.698 8.345 0.353 25816 4836 1 11 . 1 1 35 35 SER N N 35 113.837 113.837 116.017 -2.180 25816 4837 1 11 . 1 1 35 35 SER HA H 35 4.264 4.264 4.436 -0.172 25816 4838 1 11 . 1 1 35 35 SER CA C 35 57.651 57.651 59.383 -1.732 25816 4839 1 11 . 1 1 35 35 SER CB C 35 63.056 63.056 63.847 -0.791 25816 4840 1 11 . 1 1 35 35 SER H H 35 8.039 8.039 8.214 -0.175 25816 4841 1 11 . 1 1 36 36 ASN N N 36 119.749 119.749 119.755 -0.006 25816 4842 1 11 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.988 -0.404 25816 4843 1 11 . 1 1 36 36 ASN CA C 36 52.781 52.781 52.687 0.094 25816 4844 1 11 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.433 -2.247 25816 4845 1 11 . 1 1 36 36 ASN H H 36 8.767 8.767 8.783 -0.016 25816 4846 1 11 . 1 1 37 37 GLY N N 37 110.628 110.628 105.967 4.661 25816 4847 1 11 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.009 -0.424 25816 4848 1 11 . 1 1 37 37 GLY H H 37 8.496 8.496 7.737 0.759 25816 4849 1 11 . 1 1 38 38 GLY N N 38 108.654 108.654 108.970 -0.316 25816 4850 1 11 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.334 -1.234 25816 4851 1 11 . 1 1 38 38 GLY H H 38 7.955 7.955 7.985 -0.030 25816 4852 1 11 . 1 1 39 39 ALA N N 39 123.326 123.326 126.272 -2.946 25816 4853 1 11 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.335 -0.124 25816 4854 1 11 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.441 -1.603 25816 4855 1 11 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.010 -1.281 25816 4856 1 11 . 1 1 39 39 ALA H H 39 8.028 8.028 8.385 -0.357 25816 4857 1 11 . 1 1 40 40 ASP N N 40 119.573 119.573 117.994 1.579 25816 4858 1 11 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.211 0.176 25816 4859 1 11 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.704 -0.710 25816 4860 1 11 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.236 -0.609 25816 4861 1 11 . 1 1 40 40 ASP H H 40 8.261 8.261 8.159 0.102 25816 4862 1 11 . 1 1 41 41 LEU N N 41 123.899 123.899 119.243 4.656 25816 4863 1 11 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.254 0.188 25816 4864 1 11 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.080 -1.859 25816 4865 1 11 . 1 1 41 41 LEU CB C 41 43.009 43.009 43.858 -0.849 25816 4866 1 11 . 1 1 41 41 LEU H H 41 8.663 8.663 7.774 0.889 25816 4867 1 11 . 1 1 42 42 MET N N 42 119.684 119.684 121.415 -1.731 25816 4868 1 11 . 1 1 42 42 MET HA H 42 4.730 4.730 4.396 0.334 25816 4869 1 11 . 1 1 42 42 MET CA C 42 54.695 54.695 56.929 -2.234 25816 4870 1 11 . 1 1 42 42 MET CB C 42 32.194 32.194 31.444 0.750 25816 4871 1 11 . 1 1 42 42 MET H H 42 8.553 8.553 8.543 0.010 25816 4872 1 11 . 1 1 43 43 GLY N N 43 113.052 113.052 111.475 1.577 25816 4873 1 11 . 1 1 43 43 GLY CA C 43 43.378 43.378 45.858 -2.480 25816 4874 1 11 . 1 1 43 43 GLY H H 43 8.618 8.618 8.397 0.221 25816 4875 1 11 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.634 0.086 25816 4876 1 11 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.157 -2.926 25816 4877 1 11 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.479 0.474 25816 4878 1 11 . 1 1 45 45 ALA N N 45 120.693 120.693 123.036 -2.343 25816 4879 1 11 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.187 -0.203 25816 4880 1 11 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.839 -1.035 25816 4881 1 11 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.101 -0.134 25816 4882 1 11 . 1 1 45 45 ALA H H 45 7.524 7.524 8.098 -0.574 25816 4883 1 11 . 1 1 46 46 PHE N N 46 122.306 122.306 119.018 3.288 25816 4884 1 11 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.234 -0.272 25816 4885 1 11 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.472 0.854 25816 4886 1 11 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.608 0.011 25816 4887 1 11 . 1 1 46 46 PHE H H 46 8.603 8.603 8.320 0.283 25816 4888 1 11 . 1 1 47 47 ALA N N 47 123.253 123.253 121.217 2.036 25816 4889 1 11 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.058 0.030 25816 4890 1 11 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.003 -0.052 25816 4891 1 11 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.504 -0.857 25816 4892 1 11 . 1 1 47 47 ALA H H 47 9.199 9.199 7.790 1.409 25816 4893 1 11 . 1 1 48 48 ALA N N 48 117.571 117.571 119.149 -1.578 25816 4894 1 11 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.355 -0.052 25816 4895 1 11 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.568 0.119 25816 4896 1 11 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.054 -1.282 25816 4897 1 11 . 1 1 48 48 ALA H H 48 7.262 7.262 7.504 -0.242 25816 4898 1 11 . 1 1 49 49 GLY N N 49 103.229 103.229 107.712 -4.483 25816 4899 1 11 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.836 -1.217 25816 4900 1 11 . 1 1 49 49 GLY H H 49 7.461 7.461 7.822 -0.361 25816 4901 1 11 . 1 1 50 50 LEU N N 50 120.470 120.470 121.832 -1.362 25816 4902 1 11 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.109 -0.591 25816 4903 1 11 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.642 -1.230 25816 4904 1 11 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.307 0.648 25816 4905 1 11 . 1 1 50 50 LEU H H 50 7.224 7.224 8.018 -0.794 25816 4906 1 11 . 1 1 51 51 ARG N N 51 119.645 119.645 124.778 -5.133 25816 4907 1 11 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.673 -1.182 25816 4908 1 11 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.948 -1.132 25816 4909 1 11 . 1 1 51 51 ARG H H 51 8.678 8.678 8.318 0.360 25816 4910 1 11 . 1 1 52 52 VAL N N 52 119.995 119.995 118.216 1.779 25816 4911 1 11 . 1 1 52 52 VAL HA H 52 3.223 3.223 4.018 -0.795 25816 4912 1 11 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.788 0.430 25816 4913 1 11 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.581 -1.432 25816 4914 1 11 . 1 1 52 52 VAL H H 52 8.482 8.482 8.259 0.223 25816 4915 1 11 . 1 1 53 53 GLY N N 53 117.052 117.052 114.597 2.455 25816 4916 1 11 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.777 -1.352 25816 4917 1 11 . 1 1 53 53 GLY H H 53 9.122 9.122 9.124 -0.002 25816 4918 1 11 . 1 1 54 54 ASP N N 54 124.203 124.203 121.751 2.452 25816 4919 1 11 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.111 -0.278 25816 4920 1 11 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.413 1.321 25816 4921 1 11 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.181 -1.901 25816 4922 1 11 . 1 1 54 54 ASP H H 54 7.848 7.848 7.733 0.115 25816 4923 1 11 . 1 1 55 55 GLN N N 55 121.703 121.703 121.380 0.323 25816 4924 1 11 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.648 0.219 25816 4925 1 11 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.705 -2.179 25816 4926 1 11 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.266 -1.234 25816 4927 1 11 . 1 1 55 55 GLN H H 55 9.158 9.158 8.462 0.696 25816 4928 1 11 . 1 1 56 56 LEU N N 56 124.733 124.733 127.399 -2.666 25816 4929 1 11 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.715 -0.528 25816 4930 1 11 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.467 0.728 25816 4931 1 11 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.265 -1.252 25816 4932 1 11 . 1 1 56 56 LEU H H 56 8.770 8.770 8.241 0.529 25816 4933 1 11 . 1 1 57 57 VAL N N 57 123.383 123.383 119.934 3.449 25816 4934 1 11 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.482 -0.174 25816 4935 1 11 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.275 0.868 25816 4936 1 11 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.158 -0.523 25816 4937 1 11 . 1 1 57 57 VAL H H 57 8.889 8.889 8.022 0.867 25816 4938 1 11 . 1 1 58 58 ARG N N 58 118.094 118.094 116.793 1.301 25816 4939 1 11 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.960 1.378 25816 4940 1 11 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.822 -3.610 25816 4941 1 11 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.169 5.444 25816 4942 1 11 . 1 1 58 58 ARG H H 58 8.531 8.531 7.738 0.793 25816 4943 1 11 . 1 1 59 59 PHE N N 59 123.332 123.332 116.953 6.379 25816 4944 1 11 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.721 0.214 25816 4945 1 11 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.565 1.292 25816 4946 1 11 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.821 1.150 25816 4947 1 11 . 1 1 59 59 PHE H H 59 9.295 9.295 7.717 1.578 25816 4948 1 11 . 1 1 60 60 ALA N N 60 127.537 127.537 126.600 0.937 25816 4949 1 11 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.927 -0.340 25816 4950 1 11 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.301 -0.927 25816 4951 1 11 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.328 -2.855 25816 4952 1 11 . 1 1 60 60 ALA H H 60 8.356 8.356 7.922 0.434 25816 4953 1 11 . 1 1 61 61 GLY N N 61 103.058 103.058 103.075 -0.017 25816 4954 1 11 . 1 1 61 61 GLY CA C 61 43.787 43.787 43.715 0.072 25816 4955 1 11 . 1 1 61 61 GLY H H 61 9.178 9.178 6.633 2.545 25816 4956 1 11 . 1 1 62 62 TYR N N 62 120.218 120.218 116.867 3.351 25816 4957 1 11 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.191 0.439 25816 4958 1 11 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.026 -1.448 25816 4959 1 11 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.450 3.442 25816 4960 1 11 . 1 1 62 62 TYR H H 62 7.888 7.888 7.112 0.776 25816 4961 1 11 . 1 1 63 63 THR N N 63 120.933 120.933 112.653 8.280 25816 4962 1 11 . 1 1 63 63 THR HA H 63 4.479 4.479 4.902 -0.423 25816 4963 1 11 . 1 1 63 63 THR CA C 63 62.851 62.851 61.086 1.765 25816 4964 1 11 . 1 1 63 63 THR CB C 63 67.848 67.848 71.278 -3.430 25816 4965 1 11 . 1 1 63 63 THR H H 63 9.108 9.108 7.987 1.121 25816 4966 1 11 . 1 1 64 64 VAL N N 64 121.039 121.039 121.113 -0.074 25816 4967 1 11 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.610 -0.011 25816 4968 1 11 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.250 -0.383 25816 4969 1 11 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.864 -1.859 25816 4970 1 11 . 1 1 64 64 VAL H H 64 7.782 7.782 8.435 -0.653 25816 4971 1 11 . 1 1 65 65 THR N N 65 114.373 114.373 116.374 -2.001 25816 4972 1 11 . 1 1 65 65 THR HA H 65 4.452 4.452 4.508 -0.056 25816 4973 1 11 . 1 1 65 65 THR CA C 65 60.536 60.536 62.447 -1.911 25816 4974 1 11 . 1 1 65 65 THR CB C 65 69.037 69.037 69.506 -0.469 25816 4975 1 11 . 1 1 65 65 THR H H 65 9.053 9.053 8.283 0.770 25816 4976 1 11 . 1 1 66 66 GLU N N 66 115.766 115.766 120.887 -5.121 25816 4977 1 11 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.502 0.061 25816 4978 1 11 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.610 -2.223 25816 4979 1 11 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.200 0.365 25816 4980 1 11 . 1 1 66 66 GLU H H 66 7.345 7.345 8.075 -0.730 25816 4981 1 11 . 1 1 67 67 LEU N N 67 124.674 124.674 118.170 6.504 25816 4982 1 11 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.570 -0.636 25816 4983 1 11 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.483 0.052 25816 4984 1 11 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.026 0.027 25816 4985 1 11 . 1 1 67 67 LEU H H 67 8.906 8.906 8.550 0.356 25816 4986 1 11 . 1 1 68 68 ALA N N 68 120.493 120.493 121.594 -1.101 25816 4987 1 11 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.954 0.182 25816 4988 1 11 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.872 -0.198 25816 4989 1 11 . 1 1 68 68 ALA CB C 68 16.521 16.521 18.036 -1.515 25816 4990 1 11 . 1 1 68 68 ALA H H 68 9.022 9.022 8.480 0.542 25816 4991 1 11 . 1 1 69 69 ALA N N 69 119.695 119.695 120.714 -1.019 25816 4992 1 11 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.135 0.027 25816 4993 1 11 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.549 -0.529 25816 4994 1 11 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.494 -0.831 25816 4995 1 11 . 1 1 69 69 ALA H H 69 7.258 7.258 7.692 -0.434 25816 4996 1 11 . 1 1 70 70 PHE N N 70 119.274 119.274 118.712 0.562 25816 4997 1 11 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.152 -0.193 25816 4998 1 11 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.237 -0.277 25816 4999 1 11 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.407 -0.975 25816 5000 1 11 . 1 1 70 70 PHE H H 70 7.769 7.769 7.480 0.289 25816 5001 1 11 . 1 1 71 71 ASN N N 71 117.363 117.363 117.471 -0.108 25816 5002 1 11 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.464 -0.362 25816 5003 1 11 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.136 -1.439 25816 5004 1 11 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.715 -2.642 25816 5005 1 11 . 1 1 71 71 ASN H H 71 8.801 8.801 8.009 0.792 25816 5006 1 11 . 1 1 72 72 THR N N 72 119.746 119.746 115.091 4.655 25816 5007 1 11 . 1 1 72 72 THR HA H 72 4.220 4.220 4.078 0.142 25816 5008 1 11 . 1 1 72 72 THR CA C 72 65.927 65.927 65.641 0.286 25816 5009 1 11 . 1 1 72 72 THR CB C 72 67.600 67.600 68.479 -0.879 25816 5010 1 11 . 1 1 72 72 THR H H 72 8.109 8.109 7.691 0.418 25816 5011 1 11 . 1 1 73 73 VAL N N 73 123.156 123.156 120.295 2.861 25816 5012 1 11 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.573 -0.118 25816 5013 1 11 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.145 1.011 25816 5014 1 11 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.298 0.038 25816 5015 1 11 . 1 1 73 73 VAL H H 73 7.744 7.744 7.891 -0.147 25816 5016 1 11 . 1 1 74 74 VAL N N 74 120.420 120.420 119.852 0.568 25816 5017 1 11 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.408 -0.042 25816 5018 1 11 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.515 -0.917 25816 5019 1 11 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.524 -1.039 25816 5020 1 11 . 1 1 74 74 VAL H H 74 8.154 8.154 7.346 0.808 25816 5021 1 11 . 1 1 75 75 ALA N N 75 120.206 120.206 120.284 -0.078 25816 5022 1 11 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.907 0.088 25816 5023 1 11 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.647 -0.648 25816 5024 1 11 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.635 -1.671 25816 5025 1 11 . 1 1 75 75 ALA H H 75 7.788 7.788 7.666 0.122 25816 5026 1 11 . 1 1 76 76 ARG N N 76 114.701 114.701 116.535 -1.834 25816 5027 1 11 . 1 1 76 76 ARG HA H 76 4.085 4.085 3.881 0.204 25816 5028 1 11 . 1 1 76 76 ARG CA C 76 56.982 56.982 58.000 -1.018 25816 5029 1 11 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.880 0.804 25816 5030 1 11 . 1 1 76 76 ARG H H 76 7.705 7.705 8.069 -0.364 25816 5031 1 11 . 1 1 77 77 HIS N N 77 112.695 112.695 114.245 -1.550 25816 5032 1 11 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.698 0.112 25816 5033 1 11 . 1 1 77 77 HIS CA C 77 56.161 56.161 55.106 1.055 25816 5034 1 11 . 1 1 77 77 HIS CB C 77 31.033 31.033 29.082 1.951 25816 5035 1 11 . 1 1 77 77 HIS H H 77 8.123 8.123 7.227 0.896 25816 5036 1 11 . 1 1 78 78 VAL N N 78 119.219 119.219 120.403 -1.184 25816 5037 1 11 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.135 -0.242 25816 5038 1 11 . 1 1 78 78 VAL CA C 78 63.565 63.565 60.898 2.667 25816 5039 1 11 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.632 -2.504 25816 5040 1 11 . 1 1 78 78 VAL H H 78 8.034 8.034 7.309 0.725 25816 5041 1 11 . 1 1 79 79 ARG N N 79 126.908 126.908 120.677 6.231 25816 5042 1 11 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.402 -3.041 25816 5043 1 11 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.356 -0.165 25816 5044 1 11 . 1 1 79 79 ARG H H 79 7.023 7.023 7.766 -0.743 25816 5045 1 11 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.348 -0.323 25816 5046 1 11 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.138 0.432 25816 5047 1 11 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.948 -0.736 25816 5048 1 11 . 1 1 81 81 SER N N 81 115.039 115.039 118.179 -3.140 25816 5049 1 11 . 1 1 81 81 SER HA H 81 4.047 4.047 4.088 -0.041 25816 5050 1 11 . 1 1 81 81 SER CA C 81 60.713 60.713 58.934 1.779 25816 5051 1 11 . 1 1 81 81 SER H H 81 8.210 8.210 8.560 -0.350 25816 5052 1 11 . 1 1 82 82 ALA N N 82 123.546 123.546 125.337 -1.791 25816 5053 1 11 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.708 -0.362 25816 5054 1 11 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.067 0.439 25816 5055 1 11 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.077 -1.982 25816 5056 1 11 . 1 1 82 82 ALA H H 82 7.770 7.770 7.540 0.230 25816 5057 1 11 . 1 1 83 83 SER N N 83 116.753 116.753 119.419 -2.666 25816 5058 1 11 . 1 1 83 83 SER HA H 83 5.129 5.129 4.915 0.214 25816 5059 1 11 . 1 1 83 83 SER CA C 83 56.582 56.582 57.737 -1.155 25816 5060 1 11 . 1 1 83 83 SER CB C 83 62.554 62.554 63.809 -1.256 25816 5061 1 11 . 1 1 83 83 SER H H 83 8.524 8.524 8.622 -0.098 25816 5062 1 11 . 1 1 84 84 ILE N N 84 126.985 126.985 126.700 0.285 25816 5063 1 11 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.224 -2.438 25816 5064 1 11 . 1 1 84 84 ILE CB C 84 38.424 38.424 41.437 -3.013 25816 5065 1 11 . 1 1 84 84 ILE H H 84 9.599 9.599 8.141 1.458 25816 5066 1 11 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.474 0.471 25816 5067 1 11 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.602 -1.048 25816 5068 1 11 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.567 -0.140 25816 5069 1 11 . 1 1 86 86 VAL N N 86 123.811 123.811 125.921 -2.110 25816 5070 1 11 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.430 0.419 25816 5071 1 11 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.648 -0.875 25816 5072 1 11 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.832 -1.188 25816 5073 1 11 . 1 1 86 86 VAL H H 86 9.033 9.033 7.999 1.034 25816 5074 1 11 . 1 1 87 87 VAL N N 87 127.839 127.839 125.027 2.812 25816 5075 1 11 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.218 0.754 25816 5076 1 11 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.349 -1.656 25816 5077 1 11 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.700 -0.282 25816 5078 1 11 . 1 1 87 87 VAL H H 87 9.132 9.132 8.595 0.537 25816 5079 1 11 . 1 1 88 88 PHE N N 88 127.301 127.301 127.731 -0.430 25816 5080 1 11 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.562 0.056 25816 5081 1 11 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.388 -1.177 25816 5082 1 11 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.471 -2.469 25816 5083 1 11 . 1 1 88 88 PHE H H 88 9.248 9.248 8.300 0.948 25816 5084 1 11 . 1 1 89 89 SER N N 89 113.734 113.734 116.260 -2.526 25816 5085 1 11 . 1 1 89 89 SER HA H 89 5.336 5.336 4.523 0.813 25816 5086 1 11 . 1 1 89 89 SER CA C 89 54.452 54.452 56.565 -2.113 25816 5087 1 11 . 1 1 89 89 SER CB C 89 64.474 64.474 66.001 -1.527 25816 5088 1 11 . 1 1 89 89 SER H H 89 9.689 9.689 8.017 1.672 25816 5089 1 11 . 1 1 90 90 ARG N N 90 128.114 128.114 124.196 3.918 25816 5090 1 11 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.547 0.200 25816 5091 1 11 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.807 -0.685 25816 5092 1 11 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.812 1.524 25816 5093 1 11 . 1 1 90 90 ARG H H 90 8.561 8.561 7.772 0.789 25816 5094 1 11 . 1 1 91 91 ASP N N 91 129.790 129.790 123.500 6.290 25816 5095 1 11 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.361 -0.092 25816 5096 1 11 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.287 -0.786 25816 5097 1 11 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.789 0.292 25816 5098 1 11 . 1 1 91 91 ASP H H 91 9.461 9.461 8.631 0.830 25816 5099 1 11 . 1 1 92 92 GLY N N 92 102.404 102.404 103.485 -1.081 25816 5100 1 11 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.986 -0.681 25816 5101 1 11 . 1 1 92 92 GLY H H 92 8.391 8.391 8.181 0.210 25816 5102 1 11 . 1 1 93 93 VAL N N 93 123.090 123.090 121.093 1.997 25816 5103 1 11 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.847 0.155 25816 5104 1 11 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.700 -1.434 25816 5105 1 11 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.553 -0.736 25816 5106 1 11 . 1 1 93 93 VAL H H 93 7.682 7.682 6.812 0.870 25816 5107 1 11 . 1 1 94 94 VAL N N 94 128.414 128.414 125.843 2.571 25816 5108 1 11 . 1 1 94 94 VAL HA H 94 4.134 4.134 3.954 0.180 25816 5109 1 11 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.388 0.952 25816 5110 1 11 . 1 1 94 94 VAL CB C 94 30.116 30.116 31.952 -1.836 25816 5111 1 11 . 1 1 94 94 VAL H H 94 8.400 8.400 8.063 0.337 25816 5112 1 11 . 1 1 95 95 MET N N 95 129.196 129.196 128.849 0.347 25816 5113 1 11 . 1 1 95 95 MET HA H 95 4.352 4.352 4.977 -0.625 25816 5114 1 11 . 1 1 95 95 MET CA C 95 53.674 53.674 54.409 -0.735 25816 5115 1 11 . 1 1 95 95 MET CB C 95 36.104 36.104 37.250 -1.146 25816 5116 1 11 . 1 1 95 95 MET H H 95 9.100 9.100 8.440 0.660 25816 5117 1 11 . 1 1 96 96 SER N N 96 111.540 111.540 116.587 -5.047 25816 5118 1 11 . 1 1 96 96 SER HA H 96 5.469 5.469 4.999 0.470 25816 5119 1 11 . 1 1 96 96 SER CA C 96 55.830 55.830 57.388 -1.558 25816 5120 1 11 . 1 1 96 96 SER CB C 96 65.471 65.471 64.911 0.560 25816 5121 1 11 . 1 1 96 96 SER H H 96 8.004 8.004 8.426 -0.422 25816 5122 1 11 . 1 1 97 97 ALA N N 97 124.079 124.079 128.526 -4.447 25816 5123 1 11 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.721 0.067 25816 5124 1 11 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.987 -1.588 25816 5125 1 11 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.012 0.533 25816 5126 1 11 . 1 1 97 97 ALA H H 97 9.145 9.145 8.286 0.859 25816 5127 1 11 . 1 1 98 98 THR N N 98 117.342 117.342 118.666 -1.324 25816 5128 1 11 . 1 1 98 98 THR HA H 98 4.823 4.823 4.643 0.180 25816 5129 1 11 . 1 1 98 98 THR CA C 98 61.053 61.053 62.189 -1.136 25816 5130 1 11 . 1 1 98 98 THR CB C 98 69.913 69.913 69.852 0.061 25816 5131 1 11 . 1 1 98 98 THR H H 98 8.754 8.754 8.398 0.356 25816 5132 1 11 . 1 1 99 99 ILE N N 99 125.689 125.689 123.410 2.279 25816 5133 1 11 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.554 -0.443 25816 5134 1 11 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.306 -0.937 25816 5135 1 11 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.941 0.750 25816 5136 1 11 . 1 1 99 99 ILE H H 99 8.868 8.868 8.001 0.867 25816 5137 1 11 . 1 1 100 100 VAL N N 100 129.871 129.871 123.757 6.114 25816 5138 1 11 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.622 0.044 25816 5139 1 11 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.581 0.286 25816 5140 1 11 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.069 -1.459 25816 5141 1 11 . 1 1 100 100 VAL H H 100 8.818 8.818 8.544 0.274 25816 5142 1 11 . 1 1 101 101 VAL N N 101 128.299 128.299 127.102 1.197 25816 5143 1 11 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.261 -0.892 25816 5144 1 11 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.104 2.223 25816 5145 1 11 . 1 1 101 101 VAL CB C 101 30.974 30.974 30.834 0.140 25816 5146 1 11 . 1 1 101 101 VAL H H 101 8.795 8.795 7.724 1.071 25816 5147 1 11 . 1 1 102 102 GLY N N 102 115.466 115.466 113.921 1.545 25816 5148 1 11 . 1 1 102 102 GLY CA C 102 43.680 43.680 45.139 -1.459 25816 5149 1 11 . 1 1 102 102 GLY H H 102 8.393 8.393 8.470 -0.077 25816 5150 1 11 . 1 1 103 103 GLU N N 103 119.459 119.459 115.552 3.907 25816 5151 1 11 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.010 0.945 25816 5152 1 11 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.419 -2.673 25816 5153 1 11 . 1 1 103 103 GLU CB C 103 32.201 32.201 28.814 3.387 25816 5154 1 11 . 1 1 103 103 GLU H H 103 8.386 8.386 8.688 -0.302 25816 5155 1 11 . 1 1 104 104 LEU N N 104 123.881 123.881 110.322 13.559 25816 5156 1 11 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.581 0.119 25816 5157 1 11 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.221 -1.655 25816 5158 1 11 . 1 1 104 104 LEU CB C 104 44.058 44.058 43.681 0.377 25816 5159 1 11 . 1 1 104 104 LEU H H 104 8.735 8.735 7.345 1.390 25816 5160 1 12 . 1 1 2 2 LEU N N 2 122.611 122.611 120.641 1.970 25816 5161 1 12 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.627 -0.235 25816 5162 1 12 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.655 -0.323 25816 5163 1 12 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.462 -1.145 25816 5164 1 12 . 1 1 2 2 LEU H H 2 8.535 8.535 8.214 0.321 25816 5165 1 12 . 1 1 3 3 THR N N 3 112.475 112.475 115.416 -2.941 25816 5166 1 12 . 1 1 3 3 THR HA H 3 4.777 4.777 4.483 0.294 25816 5167 1 12 . 1 1 3 3 THR CA C 3 59.259 59.259 61.434 -2.175 25816 5168 1 12 . 1 1 3 3 THR CB C 3 70.185 70.185 69.927 0.258 25816 5169 1 12 . 1 1 3 3 THR H H 3 7.903 7.903 7.831 0.072 25816 5170 1 12 . 1 1 4 4 ARG N N 4 120.183 120.183 123.092 -2.909 25816 5171 1 12 . 1 1 4 4 ARG H H 4 8.809 8.809 8.615 0.194 25816 5172 1 12 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.662 -0.290 25816 5173 1 12 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.488 2.529 25816 5174 1 12 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.672 -1.084 25816 5175 1 12 . 1 1 6 6 TYR N N 6 120.727 120.727 118.479 2.248 25816 5176 1 12 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.529 0.105 25816 5177 1 12 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.859 -1.783 25816 5178 1 12 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.050 2.004 25816 5179 1 12 . 1 1 6 6 TYR H H 6 7.530 7.530 8.380 -0.850 25816 5180 1 12 . 1 1 7 7 LEU N N 7 126.575 126.575 125.172 1.403 25816 5181 1 12 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.407 1.000 25816 5182 1 12 . 1 1 7 7 LEU H H 7 8.500 8.500 8.652 -0.152 25816 5183 1 12 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.303 0.404 25816 5184 1 12 . 1 1 9 9 PHE N N 9 114.612 114.612 115.250 -0.638 25816 5185 1 12 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.520 -0.162 25816 5186 1 12 . 1 1 9 9 PHE CA C 9 55.262 55.262 53.914 1.348 25816 5187 1 12 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.465 -1.011 25816 5188 1 12 . 1 1 9 9 PHE H H 9 7.102 7.102 7.790 -0.688 25816 5189 1 12 . 1 1 10 10 ARG N N 10 117.800 117.800 120.046 -2.246 25816 5190 1 12 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.545 0.126 25816 5191 1 12 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.698 -1.299 25816 5192 1 12 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.952 0.863 25816 5193 1 12 . 1 1 10 10 ARG H H 10 8.206 8.206 8.471 -0.265 25816 5194 1 12 . 1 1 11 11 VAL N N 11 117.216 117.216 115.713 1.503 25816 5195 1 12 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.309 -0.142 25816 5196 1 12 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.712 -1.522 25816 5197 1 12 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.972 -1.097 25816 5198 1 12 . 1 1 11 11 VAL H H 11 8.601 8.601 8.138 0.463 25816 5199 1 12 . 1 1 12 12 ALA N N 12 123.025 123.025 129.814 -6.789 25816 5200 1 12 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.743 -0.163 25816 5201 1 12 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.943 -1.400 25816 5202 1 12 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.220 1.562 25816 5203 1 12 . 1 1 12 12 ALA H H 12 8.861 8.861 8.070 0.791 25816 5204 1 12 . 1 1 13 13 VAL N N 13 121.395 121.395 123.582 -2.187 25816 5205 1 12 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.121 0.430 25816 5206 1 12 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.250 0.033 25816 5207 1 12 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.539 -0.845 25816 5208 1 12 . 1 1 13 13 VAL H H 13 8.585 8.585 8.546 0.039 25816 5209 1 12 . 1 1 14 14 GLY N N 14 117.546 117.546 116.633 0.913 25816 5210 1 12 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.615 -2.231 25816 5211 1 12 . 1 1 14 14 GLY H H 14 8.789 8.789 7.937 0.852 25816 5212 1 12 . 1 1 15 15 ARG N N 15 120.075 120.075 120.893 -0.818 25816 5213 1 12 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.739 0.371 25816 5214 1 12 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.346 -1.452 25816 5215 1 12 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.596 0.160 25816 5216 1 12 . 1 1 15 15 ARG H H 15 8.299 8.299 8.321 -0.022 25816 5217 1 12 . 1 1 16 16 ASP N N 16 123.872 123.872 121.368 2.504 25816 5218 1 12 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.725 0.020 25816 5219 1 12 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.809 -1.438 25816 5220 1 12 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.523 -0.771 25816 5221 1 12 . 1 1 16 16 ASP H H 16 8.619 8.619 8.411 0.208 25816 5222 1 12 . 1 1 17 17 SER N N 17 114.309 114.309 113.464 0.845 25816 5223 1 12 . 1 1 17 17 SER HA H 17 4.196 4.196 4.175 0.021 25816 5224 1 12 . 1 1 17 17 SER CA C 17 59.950 59.950 60.666 -0.716 25816 5225 1 12 . 1 1 17 17 SER CB C 17 61.825 61.825 63.435 -1.610 25816 5226 1 12 . 1 1 17 17 SER H H 17 8.624 8.624 8.388 0.236 25816 5227 1 12 . 1 1 18 18 SER N N 18 117.903 117.903 115.091 2.812 25816 5228 1 12 . 1 1 18 18 SER HA H 18 4.597 4.597 4.386 0.211 25816 5229 1 12 . 1 1 18 18 SER CA C 18 57.732 57.732 58.587 -0.855 25816 5230 1 12 . 1 1 18 18 SER CB C 18 63.470 63.470 64.528 -1.058 25816 5231 1 12 . 1 1 18 18 SER H H 18 8.385 8.385 7.865 0.520 25816 5232 1 12 . 1 1 19 19 GLY N N 19 109.883 109.883 111.833 -1.950 25816 5233 1 12 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.905 -0.734 25816 5234 1 12 . 1 1 19 19 GLY H H 19 8.214 8.214 8.627 -0.413 25816 5235 1 12 . 1 1 20 20 CYS N N 20 122.167 122.167 121.476 0.691 25816 5236 1 12 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.594 -0.106 25816 5237 1 12 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.788 0.249 25816 5238 1 12 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.324 -2.639 25816 5239 1 12 . 1 1 20 20 CYS H H 20 8.286 8.286 8.308 -0.022 25816 5240 1 12 . 1 1 21 21 THR N N 21 119.387 119.387 114.993 4.394 25816 5241 1 12 . 1 1 21 21 THR HA H 21 4.764 4.764 4.117 0.647 25816 5242 1 12 . 1 1 21 21 THR CA C 21 61.953 61.953 63.717 -1.764 25816 5243 1 12 . 1 1 21 21 THR CB C 21 68.795 68.795 67.573 1.222 25816 5244 1 12 . 1 1 21 21 THR H H 21 8.626 8.626 8.034 0.592 25816 5245 1 12 . 1 1 22 22 THR N N 22 116.611 116.611 115.584 1.027 25816 5246 1 12 . 1 1 22 22 THR HA H 22 4.513 4.513 4.687 -0.174 25816 5247 1 12 . 1 1 22 22 THR CA C 22 58.918 58.918 60.631 -1.713 25816 5248 1 12 . 1 1 22 22 THR CB C 22 71.128 71.128 70.789 0.339 25816 5249 1 12 . 1 1 22 22 THR H H 22 8.343 8.343 7.716 0.627 25816 5250 1 12 . 1 1 23 23 LEU N N 23 122.893 122.893 125.293 -2.400 25816 5251 1 12 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.166 -0.234 25816 5252 1 12 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.990 -1.503 25816 5253 1 12 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.479 -2.214 25816 5254 1 12 . 1 1 23 23 LEU H H 23 9.157 9.157 8.764 0.393 25816 5255 1 12 . 1 1 24 24 SER N N 24 116.771 116.771 114.355 2.416 25816 5256 1 12 . 1 1 24 24 SER HA H 24 5.173 5.173 4.815 0.358 25816 5257 1 12 . 1 1 24 24 SER CA C 24 55.247 55.247 56.748 -1.501 25816 5258 1 12 . 1 1 24 24 SER CB C 24 64.841 64.841 64.835 0.006 25816 5259 1 12 . 1 1 24 24 SER H H 24 8.656 8.656 7.972 0.684 25816 5260 1 12 . 1 1 25 25 ILE N N 25 122.747 122.747 126.163 -3.416 25816 5261 1 12 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.525 -0.494 25816 5262 1 12 . 1 1 25 25 ILE CA C 25 61.270 61.270 61.062 0.208 25816 5263 1 12 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.617 -2.968 25816 5264 1 12 . 1 1 25 25 ILE H H 25 9.023 9.023 8.994 0.029 25816 5265 1 12 . 1 1 26 26 GLN N N 26 129.779 129.779 126.326 3.453 25816 5266 1 12 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.356 0.073 25816 5267 1 12 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.711 -3.124 25816 5268 1 12 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.334 0.942 25816 5269 1 12 . 1 1 26 26 GLN H H 26 9.093 9.093 8.592 0.501 25816 5270 1 12 . 1 1 27 27 GLU N N 27 118.722 118.722 117.156 1.566 25816 5271 1 12 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.859 0.105 25816 5272 1 12 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.558 -0.536 25816 5273 1 12 . 1 1 27 27 GLU H H 27 7.479 7.479 8.000 -0.521 25816 5274 1 12 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.662 -0.219 25816 5275 1 12 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.213 0.942 25816 5276 1 12 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.386 2.295 25816 5277 1 12 . 1 1 29 29 THR N N 29 124.459 124.459 117.072 7.387 25816 5278 1 12 . 1 1 29 29 THR HA H 29 4.183 4.183 4.379 -0.196 25816 5279 1 12 . 1 1 29 29 THR CA C 29 62.474 62.474 61.909 0.565 25816 5280 1 12 . 1 1 29 29 THR CB C 29 68.811 68.811 68.663 0.148 25816 5281 1 12 . 1 1 29 29 THR H H 29 8.009 8.009 8.331 -0.322 25816 5282 1 12 . 1 1 30 30 GLN N N 30 130.053 130.053 119.276 10.777 25816 5283 1 12 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.307 -0.785 25816 5284 1 12 . 1 1 30 30 GLN CA C 30 58.886 58.886 54.703 4.183 25816 5285 1 12 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.229 0.076 25816 5286 1 12 . 1 1 30 30 GLN H H 30 9.321 9.321 7.863 1.458 25816 5287 1 12 . 1 1 31 31 THR N N 31 111.234 111.234 109.015 2.219 25816 5288 1 12 . 1 1 31 31 THR HA H 31 5.509 5.509 4.425 1.084 25816 5289 1 12 . 1 1 31 31 THR CA C 31 58.798 58.798 60.989 -2.191 25816 5290 1 12 . 1 1 31 31 THR CB C 31 71.374 71.374 69.453 1.921 25816 5291 1 12 . 1 1 31 31 THR H H 31 7.630 7.630 7.098 0.532 25816 5292 1 12 . 1 1 32 32 TYR N N 32 121.998 121.998 116.052 5.946 25816 5293 1 12 . 1 1 32 32 TYR HA H 32 4.803 4.803 5.138 -0.335 25816 5294 1 12 . 1 1 32 32 TYR CA C 32 54.799 54.799 56.171 -1.372 25816 5295 1 12 . 1 1 32 32 TYR CB C 32 39.718 39.718 39.804 -0.086 25816 5296 1 12 . 1 1 32 32 TYR H H 32 9.359 9.359 6.961 2.398 25816 5297 1 12 . 1 1 33 33 THR N N 33 114.039 114.039 115.168 -1.129 25816 5298 1 12 . 1 1 33 33 THR HA H 33 4.390 4.390 4.668 -0.278 25816 5299 1 12 . 1 1 33 33 THR CA C 33 59.896 59.896 60.162 -0.266 25816 5300 1 12 . 1 1 33 33 THR CB C 33 69.135 69.135 71.408 -2.273 25816 5301 1 12 . 1 1 33 33 THR H H 33 7.985 7.985 9.215 -1.230 25816 5302 1 12 . 1 1 34 34 GLY N N 34 113.445 113.445 108.589 4.856 25816 5303 1 12 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.681 -1.609 25816 5304 1 12 . 1 1 34 34 GLY H H 34 8.698 8.698 8.331 0.367 25816 5305 1 12 . 1 1 35 35 SER N N 35 113.837 113.837 116.424 -2.587 25816 5306 1 12 . 1 1 35 35 SER HA H 35 4.264 4.264 4.607 -0.343 25816 5307 1 12 . 1 1 35 35 SER CA C 35 57.651 57.651 57.071 0.580 25816 5308 1 12 . 1 1 35 35 SER CB C 35 63.056 63.056 63.271 -0.215 25816 5309 1 12 . 1 1 35 35 SER H H 35 8.039 8.039 7.774 0.265 25816 5310 1 12 . 1 1 36 36 ASN N N 36 119.749 119.749 120.762 -1.013 25816 5311 1 12 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.492 0.092 25816 5312 1 12 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.015 -1.234 25816 5313 1 12 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.461 -1.275 25816 5314 1 12 . 1 1 36 36 ASN H H 36 8.767 8.767 8.853 -0.086 25816 5315 1 12 . 1 1 37 37 GLY N N 37 110.628 110.628 103.082 7.546 25816 5316 1 12 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.503 -0.918 25816 5317 1 12 . 1 1 37 37 GLY H H 37 8.496 8.496 7.985 0.511 25816 5318 1 12 . 1 1 38 38 GLY N N 38 108.654 108.654 109.034 -0.380 25816 5319 1 12 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.880 -0.780 25816 5320 1 12 . 1 1 38 38 GLY H H 38 7.955 7.955 8.030 -0.075 25816 5321 1 12 . 1 1 39 39 ALA N N 39 123.326 123.326 126.918 -3.592 25816 5322 1 12 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.375 -0.164 25816 5323 1 12 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.302 -1.464 25816 5324 1 12 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.159 -1.430 25816 5325 1 12 . 1 1 39 39 ALA H H 39 8.028 8.028 8.514 -0.486 25816 5326 1 12 . 1 1 40 40 ASP N N 40 119.573 119.573 118.210 1.363 25816 5327 1 12 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.523 -0.136 25816 5328 1 12 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.012 -1.018 25816 5329 1 12 . 1 1 40 40 ASP CB C 40 39.627 39.627 38.989 0.638 25816 5330 1 12 . 1 1 40 40 ASP H H 40 8.261 8.261 8.368 -0.107 25816 5331 1 12 . 1 1 41 41 LEU N N 41 123.899 123.899 122.890 1.009 25816 5332 1 12 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.371 0.071 25816 5333 1 12 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.736 -2.515 25816 5334 1 12 . 1 1 41 41 LEU CB C 41 43.009 43.009 42.551 0.458 25816 5335 1 12 . 1 1 41 41 LEU H H 41 8.663 8.663 8.300 0.363 25816 5336 1 12 . 1 1 42 42 MET N N 42 119.684 119.684 116.579 3.105 25816 5337 1 12 . 1 1 42 42 MET HA H 42 4.730 4.730 4.083 0.647 25816 5338 1 12 . 1 1 42 42 MET CA C 42 54.695 54.695 55.955 -1.260 25816 5339 1 12 . 1 1 42 42 MET CB C 42 32.194 32.194 30.695 1.499 25816 5340 1 12 . 1 1 42 42 MET H H 42 8.553 8.553 7.839 0.714 25816 5341 1 12 . 1 1 43 43 GLY N N 43 113.052 113.052 109.117 3.935 25816 5342 1 12 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.395 -3.017 25816 5343 1 12 . 1 1 43 43 GLY H H 43 8.618 8.618 8.588 0.030 25816 5344 1 12 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.476 0.244 25816 5345 1 12 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.126 -2.896 25816 5346 1 12 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.151 0.802 25816 5347 1 12 . 1 1 45 45 ALA N N 45 120.693 120.693 122.684 -1.991 25816 5348 1 12 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.141 -0.157 25816 5349 1 12 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.891 -1.087 25816 5350 1 12 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.025 -0.058 25816 5351 1 12 . 1 1 45 45 ALA H H 45 7.524 7.524 7.786 -0.262 25816 5352 1 12 . 1 1 46 46 PHE N N 46 122.306 122.306 119.149 3.157 25816 5353 1 12 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.169 -0.207 25816 5354 1 12 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.534 -0.208 25816 5355 1 12 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.288 -0.668 25816 5356 1 12 . 1 1 46 46 PHE H H 46 8.603 8.603 7.890 0.713 25816 5357 1 12 . 1 1 47 47 ALA N N 47 123.253 123.253 121.020 2.233 25816 5358 1 12 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.182 -0.094 25816 5359 1 12 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.142 -0.191 25816 5360 1 12 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.442 -0.795 25816 5361 1 12 . 1 1 47 47 ALA H H 47 9.199 9.199 7.820 1.379 25816 5362 1 12 . 1 1 48 48 ALA N N 48 117.571 117.571 119.298 -1.727 25816 5363 1 12 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.349 -0.046 25816 5364 1 12 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.581 0.106 25816 5365 1 12 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.998 -1.226 25816 5366 1 12 . 1 1 48 48 ALA H H 48 7.262 7.262 7.409 -0.147 25816 5367 1 12 . 1 1 49 49 GLY N N 49 103.229 103.229 107.688 -4.459 25816 5368 1 12 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.749 -1.130 25816 5369 1 12 . 1 1 49 49 GLY H H 49 7.461 7.461 7.775 -0.314 25816 5370 1 12 . 1 1 50 50 LEU N N 50 120.470 120.470 121.833 -1.363 25816 5371 1 12 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.103 -0.585 25816 5372 1 12 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.217 -0.805 25816 5373 1 12 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.487 0.468 25816 5374 1 12 . 1 1 50 50 LEU H H 50 7.224 7.224 7.986 -0.762 25816 5375 1 12 . 1 1 51 51 ARG N N 51 119.645 119.645 123.364 -3.719 25816 5376 1 12 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.529 -1.038 25816 5377 1 12 . 1 1 51 51 ARG CB C 51 33.816 33.816 35.007 -1.191 25816 5378 1 12 . 1 1 51 51 ARG H H 51 8.678 8.678 8.290 0.388 25816 5379 1 12 . 1 1 52 52 VAL N N 52 119.995 119.995 118.655 1.340 25816 5380 1 12 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.955 -0.732 25816 5381 1 12 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.601 1.617 25816 5382 1 12 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.786 -0.637 25816 5383 1 12 . 1 1 52 52 VAL H H 52 8.482 8.482 8.233 0.249 25816 5384 1 12 . 1 1 53 53 GLY N N 53 117.052 117.052 115.529 1.523 25816 5385 1 12 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.887 -1.462 25816 5386 1 12 . 1 1 53 53 GLY H H 53 9.122 9.122 9.051 0.071 25816 5387 1 12 . 1 1 54 54 ASP N N 54 124.203 124.203 121.789 2.414 25816 5388 1 12 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.231 -0.398 25816 5389 1 12 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.984 0.750 25816 5390 1 12 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.084 -1.805 25816 5391 1 12 . 1 1 54 54 ASP H H 54 7.848 7.848 7.734 0.114 25816 5392 1 12 . 1 1 55 55 GLN N N 55 121.703 121.703 122.081 -0.378 25816 5393 1 12 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.598 0.269 25816 5394 1 12 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.447 -1.921 25816 5395 1 12 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.604 -1.572 25816 5396 1 12 . 1 1 55 55 GLN H H 55 9.158 9.158 8.517 0.641 25816 5397 1 12 . 1 1 56 56 LEU N N 56 124.733 124.733 125.874 -1.141 25816 5398 1 12 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.658 -0.471 25816 5399 1 12 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.430 1.765 25816 5400 1 12 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.185 -1.173 25816 5401 1 12 . 1 1 56 56 LEU H H 56 8.770 8.770 7.926 0.844 25816 5402 1 12 . 1 1 57 57 VAL N N 57 123.383 123.383 120.676 2.707 25816 5403 1 12 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.377 -0.069 25816 5404 1 12 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.952 1.191 25816 5405 1 12 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.814 -0.179 25816 5406 1 12 . 1 1 57 57 VAL H H 57 8.889 8.889 8.180 0.709 25816 5407 1 12 . 1 1 58 58 ARG N N 58 118.094 118.094 118.203 -0.109 25816 5408 1 12 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.976 1.362 25816 5409 1 12 . 1 1 58 58 ARG CA C 58 54.212 54.212 59.111 -4.899 25816 5410 1 12 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.488 5.125 25816 5411 1 12 . 1 1 58 58 ARG H H 58 8.531 8.531 8.269 0.262 25816 5412 1 12 . 1 1 59 59 PHE N N 59 123.332 123.332 119.881 3.451 25816 5413 1 12 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.786 0.149 25816 5414 1 12 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.211 0.645 25816 5415 1 12 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.679 2.292 25816 5416 1 12 . 1 1 59 59 PHE H H 59 9.295 9.295 8.285 1.010 25816 5417 1 12 . 1 1 60 60 ALA N N 60 127.537 127.537 127.924 -0.387 25816 5418 1 12 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.826 -0.239 25816 5419 1 12 . 1 1 60 60 ALA CA C 60 52.374 52.374 51.393 0.981 25816 5420 1 12 . 1 1 60 60 ALA CB C 60 15.473 15.473 16.650 -1.177 25816 5421 1 12 . 1 1 60 60 ALA H H 60 8.356 8.356 7.803 0.553 25816 5422 1 12 . 1 1 61 61 GLY N N 61 103.058 103.058 105.788 -2.730 25816 5423 1 12 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.843 -1.056 25816 5424 1 12 . 1 1 61 61 GLY H H 61 9.178 9.178 7.627 1.551 25816 5425 1 12 . 1 1 62 62 TYR N N 62 120.218 120.218 118.743 1.475 25816 5426 1 12 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.141 0.489 25816 5427 1 12 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.526 -1.949 25816 5428 1 12 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.211 3.681 25816 5429 1 12 . 1 1 62 62 TYR H H 62 7.888 7.888 7.325 0.563 25816 5430 1 12 . 1 1 63 63 THR N N 63 120.933 120.933 112.057 8.876 25816 5431 1 12 . 1 1 63 63 THR HA H 63 4.479 4.479 4.821 -0.342 25816 5432 1 12 . 1 1 63 63 THR CA C 63 62.851 62.851 61.690 1.161 25816 5433 1 12 . 1 1 63 63 THR CB C 63 67.848 67.848 70.959 -3.111 25816 5434 1 12 . 1 1 63 63 THR H H 63 9.108 9.108 8.156 0.952 25816 5435 1 12 . 1 1 64 64 VAL N N 64 121.039 121.039 125.213 -4.174 25816 5436 1 12 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.613 -0.014 25816 5437 1 12 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.474 -0.607 25816 5438 1 12 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.091 -2.087 25816 5439 1 12 . 1 1 64 64 VAL H H 64 7.782 7.782 8.440 -0.658 25816 5440 1 12 . 1 1 65 65 THR N N 65 114.373 114.373 118.216 -3.843 25816 5441 1 12 . 1 1 65 65 THR HA H 65 4.452 4.452 4.400 0.052 25816 5442 1 12 . 1 1 65 65 THR CA C 65 60.536 60.536 63.015 -2.479 25816 5443 1 12 . 1 1 65 65 THR CB C 65 69.037 69.037 69.212 -0.175 25816 5444 1 12 . 1 1 65 65 THR H H 65 9.053 9.053 8.324 0.729 25816 5445 1 12 . 1 1 66 66 GLU N N 66 115.766 115.766 119.253 -3.487 25816 5446 1 12 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.562 0.001 25816 5447 1 12 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.643 -2.256 25816 5448 1 12 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.929 0.636 25816 5449 1 12 . 1 1 66 66 GLU H H 66 7.345 7.345 7.718 -0.373 25816 5450 1 12 . 1 1 67 67 LEU N N 67 124.674 124.674 118.476 6.198 25816 5451 1 12 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.633 -0.699 25816 5452 1 12 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.690 -0.155 25816 5453 1 12 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.886 0.167 25816 5454 1 12 . 1 1 67 67 LEU H H 67 8.906 8.906 8.519 0.387 25816 5455 1 12 . 1 1 68 68 ALA N N 68 120.493 120.493 123.121 -2.628 25816 5456 1 12 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.973 0.163 25816 5457 1 12 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.331 -0.657 25816 5458 1 12 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.839 -1.318 25816 5459 1 12 . 1 1 68 68 ALA H H 68 9.022 9.022 8.556 0.466 25816 5460 1 12 . 1 1 69 69 ALA N N 69 119.695 119.695 121.571 -1.876 25816 5461 1 12 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.194 -0.032 25816 5462 1 12 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.868 -0.848 25816 5463 1 12 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.076 -0.413 25816 5464 1 12 . 1 1 69 69 ALA H H 69 7.258 7.258 8.238 -0.980 25816 5465 1 12 . 1 1 70 70 PHE N N 70 119.274 119.274 118.914 0.360 25816 5466 1 12 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.212 -0.253 25816 5467 1 12 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.520 0.440 25816 5468 1 12 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.384 -0.952 25816 5469 1 12 . 1 1 70 70 PHE H H 70 7.769 7.769 7.904 -0.135 25816 5470 1 12 . 1 1 71 71 ASN N N 71 117.363 117.363 117.817 -0.454 25816 5471 1 12 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.295 -0.193 25816 5472 1 12 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.116 -1.419 25816 5473 1 12 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.609 -2.536 25816 5474 1 12 . 1 1 71 71 ASN H H 71 8.801 8.801 8.663 0.138 25816 5475 1 12 . 1 1 72 72 THR N N 72 119.746 119.746 117.713 2.033 25816 5476 1 12 . 1 1 72 72 THR HA H 72 4.220 4.220 4.002 0.218 25816 5477 1 12 . 1 1 72 72 THR CA C 72 65.927 65.927 67.598 -1.671 25816 5478 1 12 . 1 1 72 72 THR CB C 72 67.600 67.600 68.801 -1.201 25816 5479 1 12 . 1 1 72 72 THR H H 72 8.109 8.109 8.110 -0.001 25816 5480 1 12 . 1 1 73 73 VAL N N 73 123.156 123.156 119.888 3.268 25816 5481 1 12 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.481 -0.026 25816 5482 1 12 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.249 -0.093 25816 5483 1 12 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.715 -0.379 25816 5484 1 12 . 1 1 73 73 VAL H H 73 7.744 7.744 7.910 -0.166 25816 5485 1 12 . 1 1 74 74 VAL N N 74 120.420 120.420 120.215 0.205 25816 5486 1 12 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.470 -0.104 25816 5487 1 12 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.216 -0.618 25816 5488 1 12 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.180 -0.695 25816 5489 1 12 . 1 1 74 74 VAL H H 74 8.154 8.154 7.399 0.755 25816 5490 1 12 . 1 1 75 75 ALA N N 75 120.206 120.206 121.847 -1.641 25816 5491 1 12 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.923 0.072 25816 5492 1 12 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.119 -1.120 25816 5493 1 12 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.269 -1.305 25816 5494 1 12 . 1 1 75 75 ALA H H 75 7.788 7.788 7.940 -0.152 25816 5495 1 12 . 1 1 76 76 ARG N N 76 114.701 114.701 115.911 -1.210 25816 5496 1 12 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.244 -0.159 25816 5497 1 12 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.713 -0.731 25816 5498 1 12 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.473 1.211 25816 5499 1 12 . 1 1 76 76 ARG H H 76 7.705 7.705 8.022 -0.317 25816 5500 1 12 . 1 1 77 77 HIS N N 77 112.695 112.695 115.704 -3.009 25816 5501 1 12 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.575 0.235 25816 5502 1 12 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.403 -0.242 25816 5503 1 12 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.586 0.447 25816 5504 1 12 . 1 1 77 77 HIS H H 77 8.123 8.123 7.160 0.963 25816 5505 1 12 . 1 1 78 78 VAL N N 78 119.219 119.219 118.517 0.702 25816 5506 1 12 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.661 0.232 25816 5507 1 12 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.225 0.340 25816 5508 1 12 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.207 -1.079 25816 5509 1 12 . 1 1 78 78 VAL H H 78 8.034 8.034 7.931 0.103 25816 5510 1 12 . 1 1 79 79 ARG N N 79 126.908 126.908 124.213 2.695 25816 5511 1 12 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.003 -2.642 25816 5512 1 12 . 1 1 79 79 ARG CB C 79 30.191 30.191 31.776 -1.585 25816 5513 1 12 . 1 1 79 79 ARG H H 79 7.023 7.023 8.120 -1.097 25816 5514 1 12 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.462 -0.437 25816 5515 1 12 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.175 -0.605 25816 5516 1 12 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.084 -0.872 25816 5517 1 12 . 1 1 81 81 SER N N 81 115.039 115.039 111.945 3.094 25816 5518 1 12 . 1 1 81 81 SER HA H 81 4.047 4.047 4.500 -0.453 25816 5519 1 12 . 1 1 81 81 SER CA C 81 60.713 60.713 58.457 2.256 25816 5520 1 12 . 1 1 81 81 SER H H 81 8.210 8.210 7.738 0.472 25816 5521 1 12 . 1 1 82 82 ALA N N 82 123.546 123.546 124.608 -1.062 25816 5522 1 12 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.748 -0.402 25816 5523 1 12 . 1 1 82 82 ALA CA C 82 51.506 51.506 50.826 0.680 25816 5524 1 12 . 1 1 82 82 ALA CB C 82 19.095 19.095 21.191 -2.096 25816 5525 1 12 . 1 1 82 82 ALA H H 82 7.770 7.770 7.554 0.216 25816 5526 1 12 . 1 1 83 83 SER N N 83 116.753 116.753 118.936 -2.183 25816 5527 1 12 . 1 1 83 83 SER HA H 83 5.129 5.129 5.508 -0.379 25816 5528 1 12 . 1 1 83 83 SER CA C 83 56.582 56.582 57.178 -0.597 25816 5529 1 12 . 1 1 83 83 SER CB C 83 62.554 62.554 63.797 -1.244 25816 5530 1 12 . 1 1 83 83 SER H H 83 8.524 8.524 8.477 0.047 25816 5531 1 12 . 1 1 84 84 ILE N N 84 126.985 126.985 119.437 7.548 25816 5532 1 12 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.472 -2.686 25816 5533 1 12 . 1 1 84 84 ILE CB C 84 38.424 38.424 38.686 -0.262 25816 5534 1 12 . 1 1 84 84 ILE H H 84 9.599 9.599 8.121 1.478 25816 5535 1 12 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.510 0.435 25816 5536 1 12 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.828 -1.274 25816 5537 1 12 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.192 0.235 25816 5538 1 12 . 1 1 86 86 VAL N N 86 123.811 123.811 125.994 -2.183 25816 5539 1 12 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.394 0.455 25816 5540 1 12 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.729 -1.956 25816 5541 1 12 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.127 0.517 25816 5542 1 12 . 1 1 86 86 VAL H H 86 9.033 9.033 7.861 1.172 25816 5543 1 12 . 1 1 87 87 VAL N N 87 127.839 127.839 127.415 0.424 25816 5544 1 12 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.159 0.813 25816 5545 1 12 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.264 -1.571 25816 5546 1 12 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.731 -0.313 25816 5547 1 12 . 1 1 87 87 VAL H H 87 9.132 9.132 8.638 0.494 25816 5548 1 12 . 1 1 88 88 PHE N N 88 127.301 127.301 128.590 -1.289 25816 5549 1 12 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.393 0.225 25816 5550 1 12 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.287 -1.076 25816 5551 1 12 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.864 -1.862 25816 5552 1 12 . 1 1 88 88 PHE H H 88 9.248 9.248 8.083 1.165 25816 5553 1 12 . 1 1 89 89 SER N N 89 113.734 113.734 118.191 -4.457 25816 5554 1 12 . 1 1 89 89 SER HA H 89 5.336 5.336 4.683 0.653 25816 5555 1 12 . 1 1 89 89 SER CA C 89 54.452 54.452 56.035 -1.583 25816 5556 1 12 . 1 1 89 89 SER CB C 89 64.474 64.474 65.426 -0.952 25816 5557 1 12 . 1 1 89 89 SER H H 89 9.689 9.689 7.754 1.935 25816 5558 1 12 . 1 1 90 90 ARG N N 90 128.114 128.114 124.252 3.862 25816 5559 1 12 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.351 0.396 25816 5560 1 12 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.617 -0.495 25816 5561 1 12 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.497 1.839 25816 5562 1 12 . 1 1 90 90 ARG H H 90 8.561 8.561 7.851 0.710 25816 5563 1 12 . 1 1 91 91 ASP N N 91 129.790 129.790 122.226 7.564 25816 5564 1 12 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.308 -0.039 25816 5565 1 12 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.955 -0.454 25816 5566 1 12 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.747 0.334 25816 5567 1 12 . 1 1 91 91 ASP H H 91 9.461 9.461 9.166 0.295 25816 5568 1 12 . 1 1 92 92 GLY N N 92 102.404 102.404 103.074 -0.670 25816 5569 1 12 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.298 -0.993 25816 5570 1 12 . 1 1 92 92 GLY H H 92 8.391 8.391 8.205 0.186 25816 5571 1 12 . 1 1 93 93 VAL N N 93 123.090 123.090 120.788 2.302 25816 5572 1 12 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.930 0.072 25816 5573 1 12 . 1 1 93 93 VAL CA C 93 61.266 61.266 62.847 -1.581 25816 5574 1 12 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.710 -0.892 25816 5575 1 12 . 1 1 93 93 VAL H H 93 7.682 7.682 7.469 0.213 25816 5576 1 12 . 1 1 94 94 VAL N N 94 128.414 128.414 126.609 1.805 25816 5577 1 12 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.142 -0.008 25816 5578 1 12 . 1 1 94 94 VAL CA C 94 62.340 62.340 62.250 0.090 25816 5579 1 12 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.332 -2.216 25816 5580 1 12 . 1 1 94 94 VAL H H 94 8.400 8.400 8.129 0.271 25816 5581 1 12 . 1 1 95 95 MET N N 95 129.196 129.196 127.454 1.742 25816 5582 1 12 . 1 1 95 95 MET HA H 95 4.352 4.352 4.913 -0.561 25816 5583 1 12 . 1 1 95 95 MET CA C 95 53.674 53.674 54.546 -0.872 25816 5584 1 12 . 1 1 95 95 MET CB C 95 36.104 36.104 36.966 -0.862 25816 5585 1 12 . 1 1 95 95 MET H H 95 9.100 9.100 8.508 0.592 25816 5586 1 12 . 1 1 96 96 SER N N 96 111.540 111.540 115.853 -4.313 25816 5587 1 12 . 1 1 96 96 SER HA H 96 5.469 5.469 4.760 0.709 25816 5588 1 12 . 1 1 96 96 SER CA C 96 55.830 55.830 57.810 -1.980 25816 5589 1 12 . 1 1 96 96 SER CB C 96 65.471 65.471 64.311 1.160 25816 5590 1 12 . 1 1 96 96 SER H H 96 8.004 8.004 8.504 -0.500 25816 5591 1 12 . 1 1 97 97 ALA N N 97 124.079 124.079 129.625 -5.546 25816 5592 1 12 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.735 0.053 25816 5593 1 12 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.669 -1.270 25816 5594 1 12 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.827 0.717 25816 5595 1 12 . 1 1 97 97 ALA H H 97 9.145 9.145 8.265 0.880 25816 5596 1 12 . 1 1 98 98 THR N N 98 117.342 117.342 117.712 -0.370 25816 5597 1 12 . 1 1 98 98 THR HA H 98 4.823 4.823 4.609 0.214 25816 5598 1 12 . 1 1 98 98 THR CA C 98 61.053 61.053 61.798 -0.745 25816 5599 1 12 . 1 1 98 98 THR CB C 98 69.913 69.913 69.304 0.609 25816 5600 1 12 . 1 1 98 98 THR H H 98 8.754 8.754 8.327 0.427 25816 5601 1 12 . 1 1 99 99 ILE N N 99 125.689 125.689 128.522 -2.833 25816 5602 1 12 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.241 -0.130 25816 5603 1 12 . 1 1 99 99 ILE CA C 99 59.369 59.369 61.083 -1.714 25816 5604 1 12 . 1 1 99 99 ILE CB C 99 39.691 39.691 37.803 1.888 25816 5605 1 12 . 1 1 99 99 ILE H H 99 8.868 8.868 8.080 0.788 25816 5606 1 12 . 1 1 100 100 VAL N N 100 129.871 129.871 125.022 4.849 25816 5607 1 12 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.401 0.265 25816 5608 1 12 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.227 -0.360 25816 5609 1 12 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.325 -1.715 25816 5610 1 12 . 1 1 100 100 VAL H H 100 8.818 8.818 8.454 0.364 25816 5611 1 12 . 1 1 101 101 VAL N N 101 128.299 128.299 128.211 0.088 25816 5612 1 12 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.225 -0.856 25816 5613 1 12 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.018 2.309 25816 5614 1 12 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.047 -1.073 25816 5615 1 12 . 1 1 101 101 VAL H H 101 8.795 8.795 7.726 1.069 25816 5616 1 12 . 1 1 102 102 GLY N N 102 115.466 115.466 115.484 -0.018 25816 5617 1 12 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.148 -0.468 25816 5618 1 12 . 1 1 102 102 GLY H H 102 8.393 8.393 8.409 -0.016 25816 5619 1 12 . 1 1 103 103 GLU N N 103 119.459 119.459 125.236 -5.777 25816 5620 1 12 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.543 0.412 25816 5621 1 12 . 1 1 103 103 GLU CA C 103 54.746 54.746 53.849 0.897 25816 5622 1 12 . 1 1 103 103 GLU CB C 103 32.201 32.201 31.329 0.872 25816 5623 1 12 . 1 1 103 103 GLU H H 103 8.386 8.386 7.923 0.463 25816 5624 1 12 . 1 1 104 104 LEU N N 104 123.881 123.881 119.508 4.373 25816 5625 1 12 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.088 0.612 25816 5626 1 12 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.906 -3.339 25816 5627 1 12 . 1 1 104 104 LEU CB C 104 44.058 44.058 39.635 4.423 25816 5628 1 12 . 1 1 104 104 LEU H H 104 8.735 8.735 8.690 0.045 25816 5629 1 13 . 1 1 2 2 LEU N N 2 122.611 122.611 121.963 0.648 25816 5630 1 13 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.678 -0.286 25816 5631 1 13 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.818 -1.486 25816 5632 1 13 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.337 -1.020 25816 5633 1 13 . 1 1 2 2 LEU H H 2 8.535 8.535 8.715 -0.180 25816 5634 1 13 . 1 1 3 3 THR N N 3 112.475 112.475 117.752 -5.277 25816 5635 1 13 . 1 1 3 3 THR HA H 3 4.777 4.777 4.684 0.093 25816 5636 1 13 . 1 1 3 3 THR CA C 3 59.259 59.259 61.607 -2.348 25816 5637 1 13 . 1 1 3 3 THR CB C 3 70.185 70.185 69.852 0.333 25816 5638 1 13 . 1 1 3 3 THR H H 3 7.903 7.903 8.231 -0.328 25816 5639 1 13 . 1 1 4 4 ARG N N 4 120.183 120.183 121.528 -1.345 25816 5640 1 13 . 1 1 4 4 ARG H H 4 8.809 8.809 8.404 0.405 25816 5641 1 13 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.482 -0.110 25816 5642 1 13 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.143 1.874 25816 5643 1 13 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.567 1.020 25816 5644 1 13 . 1 1 6 6 TYR N N 6 120.727 120.727 124.376 -3.649 25816 5645 1 13 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.668 -0.034 25816 5646 1 13 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.249 -1.173 25816 5647 1 13 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.402 -0.348 25816 5648 1 13 . 1 1 6 6 TYR H H 6 7.530 7.530 7.900 -0.370 25816 5649 1 13 . 1 1 7 7 LEU N N 7 126.575 126.575 124.499 2.076 25816 5650 1 13 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.784 -0.377 25816 5651 1 13 . 1 1 7 7 LEU H H 7 8.500 8.500 8.213 0.287 25816 5652 1 13 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.333 0.374 25816 5653 1 13 . 1 1 9 9 PHE N N 9 114.612 114.612 116.376 -1.764 25816 5654 1 13 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.982 0.376 25816 5655 1 13 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.482 -0.220 25816 5656 1 13 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.409 -0.955 25816 5657 1 13 . 1 1 9 9 PHE H H 9 7.102 7.102 7.582 -0.480 25816 5658 1 13 . 1 1 10 10 ARG N N 10 117.800 117.800 120.341 -2.541 25816 5659 1 13 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.589 0.082 25816 5660 1 13 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.172 -1.773 25816 5661 1 13 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.665 1.150 25816 5662 1 13 . 1 1 10 10 ARG H H 10 8.206 8.206 8.563 -0.357 25816 5663 1 13 . 1 1 11 11 VAL N N 11 117.216 117.216 122.740 -5.524 25816 5664 1 13 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.779 0.388 25816 5665 1 13 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.704 -2.514 25816 5666 1 13 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.112 -1.237 25816 5667 1 13 . 1 1 11 11 VAL H H 11 8.601 8.601 8.448 0.153 25816 5668 1 13 . 1 1 12 12 ALA N N 12 123.025 123.025 133.073 -10.048 25816 5669 1 13 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.806 -0.226 25816 5670 1 13 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.736 -1.193 25816 5671 1 13 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.659 1.123 25816 5672 1 13 . 1 1 12 12 ALA H H 12 8.861 8.861 8.151 0.710 25816 5673 1 13 . 1 1 13 13 VAL N N 13 121.395 121.395 125.701 -4.306 25816 5674 1 13 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.558 -0.007 25816 5675 1 13 . 1 1 13 13 VAL CA C 13 61.283 61.283 60.926 0.357 25816 5676 1 13 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.037 -0.343 25816 5677 1 13 . 1 1 13 13 VAL H H 13 8.585 8.585 8.620 -0.035 25816 5678 1 13 . 1 1 14 14 GLY N N 14 117.546 117.546 117.627 -0.081 25816 5679 1 13 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.406 -2.022 25816 5680 1 13 . 1 1 14 14 GLY H H 14 8.789 8.789 8.514 0.275 25816 5681 1 13 . 1 1 15 15 ARG N N 15 120.075 120.075 120.185 -0.110 25816 5682 1 13 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.638 0.472 25816 5683 1 13 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.395 -1.502 25816 5684 1 13 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.720 0.036 25816 5685 1 13 . 1 1 15 15 ARG H H 15 8.299 8.299 8.346 -0.047 25816 5686 1 13 . 1 1 16 16 ASP N N 16 123.872 123.872 121.777 2.095 25816 5687 1 13 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.740 0.005 25816 5688 1 13 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.871 -1.500 25816 5689 1 13 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.594 -0.843 25816 5690 1 13 . 1 1 16 16 ASP H H 16 8.619 8.619 8.345 0.274 25816 5691 1 13 . 1 1 17 17 SER N N 17 114.309 114.309 113.543 0.766 25816 5692 1 13 . 1 1 17 17 SER HA H 17 4.196 4.196 4.243 -0.047 25816 5693 1 13 . 1 1 17 17 SER CA C 17 59.950 59.950 60.511 -0.561 25816 5694 1 13 . 1 1 17 17 SER CB C 17 61.825 61.825 63.257 -1.432 25816 5695 1 13 . 1 1 17 17 SER H H 17 8.624 8.624 8.413 0.211 25816 5696 1 13 . 1 1 18 18 SER N N 18 117.903 117.903 115.268 2.635 25816 5697 1 13 . 1 1 18 18 SER HA H 18 4.597 4.597 4.419 0.178 25816 5698 1 13 . 1 1 18 18 SER CA C 18 57.732 57.732 58.708 -0.976 25816 5699 1 13 . 1 1 18 18 SER CB C 18 63.470 63.470 64.797 -1.327 25816 5700 1 13 . 1 1 18 18 SER H H 18 8.385 8.385 8.013 0.372 25816 5701 1 13 . 1 1 19 19 GLY N N 19 109.883 109.883 111.960 -2.077 25816 5702 1 13 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.221 -1.050 25816 5703 1 13 . 1 1 19 19 GLY H H 19 8.214 8.214 8.367 -0.153 25816 5704 1 13 . 1 1 20 20 CYS N N 20 122.167 122.167 119.763 2.404 25816 5705 1 13 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.463 0.025 25816 5706 1 13 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.725 0.312 25816 5707 1 13 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.737 -2.052 25816 5708 1 13 . 1 1 20 20 CYS H H 20 8.286 8.286 8.249 0.037 25816 5709 1 13 . 1 1 21 21 THR N N 21 119.387 119.387 114.693 4.694 25816 5710 1 13 . 1 1 21 21 THR HA H 21 4.764 4.764 4.235 0.529 25816 5711 1 13 . 1 1 21 21 THR CA C 21 61.953 61.953 63.395 -1.442 25816 5712 1 13 . 1 1 21 21 THR CB C 21 68.795 68.795 68.637 0.158 25816 5713 1 13 . 1 1 21 21 THR H H 21 8.626 8.626 7.894 0.732 25816 5714 1 13 . 1 1 22 22 THR N N 22 116.611 116.611 115.428 1.183 25816 5715 1 13 . 1 1 22 22 THR HA H 22 4.513 4.513 4.766 -0.253 25816 5716 1 13 . 1 1 22 22 THR CA C 22 58.918 58.918 59.824 -0.906 25816 5717 1 13 . 1 1 22 22 THR CB C 22 71.128 71.128 72.118 -0.990 25816 5718 1 13 . 1 1 22 22 THR H H 22 8.343 8.343 8.479 -0.136 25816 5719 1 13 . 1 1 23 23 LEU N N 23 122.893 122.893 123.676 -0.783 25816 5720 1 13 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.158 -0.226 25816 5721 1 13 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.923 -1.436 25816 5722 1 13 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.469 -1.204 25816 5723 1 13 . 1 1 23 23 LEU H H 23 9.157 9.157 8.657 0.500 25816 5724 1 13 . 1 1 24 24 SER N N 24 116.771 116.771 119.311 -2.540 25816 5725 1 13 . 1 1 24 24 SER HA H 24 5.173 5.173 4.663 0.510 25816 5726 1 13 . 1 1 24 24 SER CA C 24 55.247 55.247 57.913 -2.666 25816 5727 1 13 . 1 1 24 24 SER CB C 24 64.841 64.841 64.053 0.788 25816 5728 1 13 . 1 1 24 24 SER H H 24 8.656 8.656 8.100 0.556 25816 5729 1 13 . 1 1 25 25 ILE N N 25 122.747 122.747 126.774 -4.027 25816 5730 1 13 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.835 -0.804 25816 5731 1 13 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.542 2.728 25816 5732 1 13 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.551 -1.902 25816 5733 1 13 . 1 1 25 25 ILE H H 25 9.023 9.023 8.950 0.073 25816 5734 1 13 . 1 1 26 26 GLN N N 26 129.779 129.779 126.742 3.037 25816 5735 1 13 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.279 0.150 25816 5736 1 13 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.895 -3.308 25816 5737 1 13 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.038 1.238 25816 5738 1 13 . 1 1 26 26 GLN H H 26 9.093 9.093 8.768 0.325 25816 5739 1 13 . 1 1 27 27 GLU N N 27 118.722 118.722 117.252 1.470 25816 5740 1 13 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.676 0.288 25816 5741 1 13 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.689 -0.667 25816 5742 1 13 . 1 1 27 27 GLU H H 27 7.479 7.479 7.935 -0.456 25816 5743 1 13 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.474 -0.031 25816 5744 1 13 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.472 -0.317 25816 5745 1 13 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.242 2.438 25816 5746 1 13 . 1 1 29 29 THR N N 29 124.459 124.459 118.247 6.212 25816 5747 1 13 . 1 1 29 29 THR HA H 29 4.183 4.183 4.363 -0.180 25816 5748 1 13 . 1 1 29 29 THR CA C 29 62.474 62.474 62.158 0.316 25816 5749 1 13 . 1 1 29 29 THR CB C 29 68.811 68.811 68.914 -0.103 25816 5750 1 13 . 1 1 29 29 THR H H 29 8.009 8.009 8.426 -0.417 25816 5751 1 13 . 1 1 30 30 GLN N N 30 130.053 130.053 118.199 11.854 25816 5752 1 13 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.034 -0.512 25816 5753 1 13 . 1 1 30 30 GLN CA C 30 58.886 58.886 57.749 1.137 25816 5754 1 13 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.555 -1.250 25816 5755 1 13 . 1 1 30 30 GLN H H 30 9.321 9.321 8.337 0.984 25816 5756 1 13 . 1 1 31 31 THR N N 31 111.234 111.234 112.098 -0.864 25816 5757 1 13 . 1 1 31 31 THR HA H 31 5.509 5.509 3.961 1.548 25816 5758 1 13 . 1 1 31 31 THR CA C 31 58.798 58.798 61.854 -3.056 25816 5759 1 13 . 1 1 31 31 THR CB C 31 71.374 71.374 68.845 2.529 25816 5760 1 13 . 1 1 31 31 THR H H 31 7.630 7.630 7.498 0.132 25816 5761 1 13 . 1 1 32 32 TYR N N 32 121.998 121.998 122.563 -0.565 25816 5762 1 13 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.705 0.098 25816 5763 1 13 . 1 1 32 32 TYR CA C 32 54.799 54.799 55.998 -1.199 25816 5764 1 13 . 1 1 32 32 TYR CB C 32 39.718 39.718 38.730 0.988 25816 5765 1 13 . 1 1 32 32 TYR H H 32 9.359 9.359 7.690 1.669 25816 5766 1 13 . 1 1 33 33 THR N N 33 114.039 114.039 113.168 0.871 25816 5767 1 13 . 1 1 33 33 THR HA H 33 4.390 4.390 4.563 -0.173 25816 5768 1 13 . 1 1 33 33 THR CA C 33 59.896 59.896 59.861 0.035 25816 5769 1 13 . 1 1 33 33 THR CB C 33 69.135 69.135 70.981 -1.846 25816 5770 1 13 . 1 1 33 33 THR H H 33 7.985 7.985 8.298 -0.313 25816 5771 1 13 . 1 1 34 34 GLY N N 34 113.445 113.445 110.043 3.402 25816 5772 1 13 . 1 1 34 34 GLY CA C 34 44.072 44.072 44.712 -0.640 25816 5773 1 13 . 1 1 34 34 GLY H H 34 8.698 8.698 8.484 0.214 25816 5774 1 13 . 1 1 35 35 SER N N 35 113.837 113.837 115.948 -2.111 25816 5775 1 13 . 1 1 35 35 SER HA H 35 4.264 4.264 3.867 0.397 25816 5776 1 13 . 1 1 35 35 SER CA C 35 57.651 57.651 61.662 -4.011 25816 5777 1 13 . 1 1 35 35 SER CB C 35 63.056 63.056 62.221 0.835 25816 5778 1 13 . 1 1 35 35 SER H H 35 8.039 8.039 8.280 -0.241 25816 5779 1 13 . 1 1 36 36 ASN N N 36 119.749 119.749 121.475 -1.726 25816 5780 1 13 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.534 0.050 25816 5781 1 13 . 1 1 36 36 ASN CA C 36 52.781 52.781 55.388 -2.607 25816 5782 1 13 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.397 -1.211 25816 5783 1 13 . 1 1 36 36 ASN H H 36 8.767 8.767 8.409 0.358 25816 5784 1 13 . 1 1 37 37 GLY N N 37 110.628 110.628 106.715 3.913 25816 5785 1 13 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.655 -1.070 25816 5786 1 13 . 1 1 37 37 GLY H H 37 8.496 8.496 7.707 0.788 25816 5787 1 13 . 1 1 38 38 GLY N N 38 108.654 108.654 107.882 0.772 25816 5788 1 13 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.348 -0.248 25816 5789 1 13 . 1 1 38 38 GLY H H 38 7.955 7.955 7.895 0.060 25816 5790 1 13 . 1 1 39 39 ALA N N 39 123.326 123.326 125.133 -1.807 25816 5791 1 13 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.148 0.063 25816 5792 1 13 . 1 1 39 39 ALA CA C 39 50.838 50.838 53.227 -2.389 25816 5793 1 13 . 1 1 39 39 ALA CB C 39 18.729 18.729 19.201 -0.472 25816 5794 1 13 . 1 1 39 39 ALA H H 39 8.028 8.028 8.571 -0.543 25816 5795 1 13 . 1 1 40 40 ASP N N 40 119.573 119.573 125.467 -5.894 25816 5796 1 13 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.492 -0.105 25816 5797 1 13 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.159 -1.165 25816 5798 1 13 . 1 1 40 40 ASP CB C 40 39.627 39.627 41.231 -1.605 25816 5799 1 13 . 1 1 40 40 ASP H H 40 8.261 8.261 8.421 -0.160 25816 5800 1 13 . 1 1 41 41 LEU N N 41 123.899 123.899 117.498 6.401 25816 5801 1 13 . 1 1 41 41 LEU HA H 41 4.442 4.442 3.990 0.452 25816 5802 1 13 . 1 1 41 41 LEU CA C 41 52.221 52.221 56.461 -4.240 25816 5803 1 13 . 1 1 41 41 LEU CB C 41 43.009 43.009 40.995 2.014 25816 5804 1 13 . 1 1 41 41 LEU H H 41 8.663 8.663 8.373 0.290 25816 5805 1 13 . 1 1 42 42 MET N N 42 119.684 119.684 116.437 3.247 25816 5806 1 13 . 1 1 42 42 MET HA H 42 4.730 4.730 4.386 0.344 25816 5807 1 13 . 1 1 42 42 MET CA C 42 54.695 54.695 55.592 -0.897 25816 5808 1 13 . 1 1 42 42 MET CB C 42 32.194 32.194 33.782 -1.588 25816 5809 1 13 . 1 1 42 42 MET H H 42 8.553 8.553 7.844 0.709 25816 5810 1 13 . 1 1 43 43 GLY N N 43 113.052 113.052 110.596 2.456 25816 5811 1 13 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.641 -3.263 25816 5812 1 13 . 1 1 43 43 GLY H H 43 8.618 8.618 8.054 0.564 25816 5813 1 13 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.517 0.203 25816 5814 1 13 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.430 -3.199 25816 5815 1 13 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.423 0.530 25816 5816 1 13 . 1 1 45 45 ALA N N 45 120.693 120.693 120.932 -0.239 25816 5817 1 13 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.230 -0.246 25816 5818 1 13 . 1 1 45 45 ALA CA C 45 53.804 53.804 52.624 1.179 25816 5819 1 13 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.921 -0.954 25816 5820 1 13 . 1 1 45 45 ALA H H 45 7.524 7.524 7.399 0.125 25816 5821 1 13 . 1 1 46 46 PHE N N 46 122.306 122.306 120.705 1.601 25816 5822 1 13 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.088 -0.126 25816 5823 1 13 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.524 -0.198 25816 5824 1 13 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.145 -0.525 25816 5825 1 13 . 1 1 46 46 PHE H H 46 8.603 8.603 8.312 0.291 25816 5826 1 13 . 1 1 47 47 ALA N N 47 123.253 123.253 120.958 2.295 25816 5827 1 13 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.046 0.042 25816 5828 1 13 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.251 -0.300 25816 5829 1 13 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.223 -0.576 25816 5830 1 13 . 1 1 47 47 ALA H H 47 9.199 9.199 7.756 1.443 25816 5831 1 13 . 1 1 48 48 ALA N N 48 117.571 117.571 118.990 -1.419 25816 5832 1 13 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.188 0.115 25816 5833 1 13 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.654 0.033 25816 5834 1 13 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.733 -0.961 25816 5835 1 13 . 1 1 48 48 ALA H H 48 7.262 7.262 7.537 -0.275 25816 5836 1 13 . 1 1 49 49 GLY N N 49 103.229 103.229 107.464 -4.235 25816 5837 1 13 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.751 -1.132 25816 5838 1 13 . 1 1 49 49 GLY H H 49 7.461 7.461 7.847 -0.386 25816 5839 1 13 . 1 1 50 50 LEU N N 50 120.470 120.470 121.712 -1.242 25816 5840 1 13 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.210 -0.692 25816 5841 1 13 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.289 -0.877 25816 5842 1 13 . 1 1 50 50 LEU CB C 50 40.955 40.955 39.444 1.511 25816 5843 1 13 . 1 1 50 50 LEU H H 50 7.224 7.224 7.417 -0.193 25816 5844 1 13 . 1 1 51 51 ARG N N 51 119.645 119.645 124.002 -4.357 25816 5845 1 13 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.803 -1.312 25816 5846 1 13 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.459 -0.643 25816 5847 1 13 . 1 1 51 51 ARG H H 51 8.678 8.678 7.890 0.788 25816 5848 1 13 . 1 1 52 52 VAL N N 52 119.995 119.995 118.273 1.722 25816 5849 1 13 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.773 -0.550 25816 5850 1 13 . 1 1 52 52 VAL CA C 52 64.218 64.218 64.152 0.066 25816 5851 1 13 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.513 -0.364 25816 5852 1 13 . 1 1 52 52 VAL H H 52 8.482 8.482 8.274 0.208 25816 5853 1 13 . 1 1 53 53 GLY N N 53 117.052 117.052 115.870 1.182 25816 5854 1 13 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.682 -1.257 25816 5855 1 13 . 1 1 53 53 GLY H H 53 9.122 9.122 9.205 -0.083 25816 5856 1 13 . 1 1 54 54 ASP N N 54 124.203 124.203 121.416 2.787 25816 5857 1 13 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.969 -0.136 25816 5858 1 13 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.476 1.258 25816 5859 1 13 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.272 -1.993 25816 5860 1 13 . 1 1 54 54 ASP H H 54 7.848 7.848 7.898 -0.050 25816 5861 1 13 . 1 1 55 55 GLN N N 55 121.703 121.703 121.915 -0.212 25816 5862 1 13 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.721 0.146 25816 5863 1 13 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.844 -2.318 25816 5864 1 13 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.266 -1.234 25816 5865 1 13 . 1 1 55 55 GLN H H 55 9.158 9.158 8.379 0.779 25816 5866 1 13 . 1 1 56 56 LEU N N 56 124.733 124.733 125.912 -1.179 25816 5867 1 13 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.678 -0.491 25816 5868 1 13 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.600 0.595 25816 5869 1 13 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.606 -1.593 25816 5870 1 13 . 1 1 56 56 LEU H H 56 8.770 8.770 8.027 0.743 25816 5871 1 13 . 1 1 57 57 VAL N N 57 123.383 123.383 119.436 3.947 25816 5872 1 13 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.426 -0.118 25816 5873 1 13 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.659 0.484 25816 5874 1 13 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.127 -0.492 25816 5875 1 13 . 1 1 57 57 VAL H H 57 8.889 8.889 8.145 0.744 25816 5876 1 13 . 1 1 58 58 ARG N N 58 118.094 118.094 118.613 -0.519 25816 5877 1 13 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.930 1.408 25816 5878 1 13 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.650 -3.438 25816 5879 1 13 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.230 5.383 25816 5880 1 13 . 1 1 58 58 ARG H H 58 8.531 8.531 7.547 0.984 25816 5881 1 13 . 1 1 59 59 PHE N N 59 123.332 123.332 118.576 4.756 25816 5882 1 13 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.492 0.443 25816 5883 1 13 . 1 1 59 59 PHE CA C 59 56.856 56.856 57.255 -0.399 25816 5884 1 13 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.965 2.006 25816 5885 1 13 . 1 1 59 59 PHE H H 59 9.295 9.295 7.752 1.543 25816 5886 1 13 . 1 1 60 60 ALA N N 60 127.537 127.537 130.408 -2.871 25816 5887 1 13 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.845 -0.258 25816 5888 1 13 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.753 -1.379 25816 5889 1 13 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.749 -2.276 25816 5890 1 13 . 1 1 60 60 ALA H H 60 8.356 8.356 8.773 -0.417 25816 5891 1 13 . 1 1 61 61 GLY N N 61 103.058 103.058 105.085 -2.027 25816 5892 1 13 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.790 -1.003 25816 5893 1 13 . 1 1 61 61 GLY H H 61 9.178 9.178 7.840 1.338 25816 5894 1 13 . 1 1 62 62 TYR N N 62 120.218 120.218 112.018 8.200 25816 5895 1 13 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.747 -0.117 25816 5896 1 13 . 1 1 62 62 TYR CA C 62 56.577 56.577 56.167 0.410 25816 5897 1 13 . 1 1 62 62 TYR CB C 62 38.892 38.892 37.786 1.106 25816 5898 1 13 . 1 1 62 62 TYR H H 62 7.888 7.888 7.359 0.529 25816 5899 1 13 . 1 1 63 63 THR N N 63 120.933 120.933 114.892 6.041 25816 5900 1 13 . 1 1 63 63 THR HA H 63 4.479 4.479 4.563 -0.084 25816 5901 1 13 . 1 1 63 63 THR CA C 63 62.851 62.851 61.958 0.893 25816 5902 1 13 . 1 1 63 63 THR CB C 63 67.848 67.848 70.608 -2.760 25816 5903 1 13 . 1 1 63 63 THR H H 63 9.108 9.108 7.784 1.324 25816 5904 1 13 . 1 1 64 64 VAL N N 64 121.039 121.039 125.937 -4.898 25816 5905 1 13 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.434 0.165 25816 5906 1 13 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.489 -1.622 25816 5907 1 13 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.433 -1.429 25816 5908 1 13 . 1 1 64 64 VAL H H 64 7.782 7.782 8.345 -0.563 25816 5909 1 13 . 1 1 65 65 THR N N 65 114.373 114.373 118.201 -3.828 25816 5910 1 13 . 1 1 65 65 THR HA H 65 4.452 4.452 4.225 0.227 25816 5911 1 13 . 1 1 65 65 THR CA C 65 60.536 60.536 63.374 -2.838 25816 5912 1 13 . 1 1 65 65 THR CB C 65 69.037 69.037 69.311 -0.274 25816 5913 1 13 . 1 1 65 65 THR H H 65 9.053 9.053 8.769 0.284 25816 5914 1 13 . 1 1 66 66 GLU N N 66 115.766 115.766 119.364 -3.598 25816 5915 1 13 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.602 -0.039 25816 5916 1 13 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.519 -2.132 25816 5917 1 13 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.920 -0.355 25816 5918 1 13 . 1 1 66 66 GLU H H 66 7.345 7.345 7.738 -0.393 25816 5919 1 13 . 1 1 67 67 LEU N N 67 124.674 124.674 118.812 5.862 25816 5920 1 13 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.566 -0.632 25816 5921 1 13 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.840 -0.305 25816 5922 1 13 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.089 -0.036 25816 5923 1 13 . 1 1 67 67 LEU H H 67 8.906 8.906 8.428 0.478 25816 5924 1 13 . 1 1 68 68 ALA N N 68 120.493 120.493 122.424 -1.931 25816 5925 1 13 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.056 0.080 25816 5926 1 13 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.129 -0.455 25816 5927 1 13 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.591 -1.070 25816 5928 1 13 . 1 1 68 68 ALA H H 68 9.022 9.022 8.496 0.526 25816 5929 1 13 . 1 1 69 69 ALA N N 69 119.695 119.695 121.056 -1.361 25816 5930 1 13 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.161 0.001 25816 5931 1 13 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.938 -0.918 25816 5932 1 13 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.464 -0.801 25816 5933 1 13 . 1 1 69 69 ALA H H 69 7.258 7.258 7.796 -0.538 25816 5934 1 13 . 1 1 70 70 PHE N N 70 119.274 119.274 119.160 0.114 25816 5935 1 13 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.297 -0.338 25816 5936 1 13 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.160 0.800 25816 5937 1 13 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.253 -0.821 25816 5938 1 13 . 1 1 70 70 PHE H H 70 7.769 7.769 7.543 0.226 25816 5939 1 13 . 1 1 71 71 ASN N N 71 117.363 117.363 117.697 -0.334 25816 5940 1 13 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.131 -0.029 25816 5941 1 13 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.060 -1.363 25816 5942 1 13 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.423 -2.350 25816 5943 1 13 . 1 1 71 71 ASN H H 71 8.801 8.801 8.534 0.267 25816 5944 1 13 . 1 1 72 72 THR N N 72 119.746 119.746 115.250 4.496 25816 5945 1 13 . 1 1 72 72 THR HA H 72 4.220 4.220 4.013 0.207 25816 5946 1 13 . 1 1 72 72 THR CA C 72 65.927 65.927 66.084 -0.157 25816 5947 1 13 . 1 1 72 72 THR CB C 72 67.600 67.600 68.263 -0.663 25816 5948 1 13 . 1 1 72 72 THR H H 72 8.109 8.109 8.341 -0.232 25816 5949 1 13 . 1 1 73 73 VAL N N 73 123.156 123.156 122.181 0.975 25816 5950 1 13 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.412 0.043 25816 5951 1 13 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.474 -0.318 25816 5952 1 13 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.287 -0.951 25816 5953 1 13 . 1 1 73 73 VAL H H 73 7.744 7.744 7.722 0.022 25816 5954 1 13 . 1 1 74 74 VAL N N 74 120.420 120.420 119.161 1.259 25816 5955 1 13 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.338 0.028 25816 5956 1 13 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.678 -1.080 25816 5957 1 13 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.001 -0.516 25816 5958 1 13 . 1 1 74 74 VAL H H 74 8.154 8.154 7.657 0.497 25816 5959 1 13 . 1 1 75 75 ALA N N 75 120.206 120.206 121.270 -1.064 25816 5960 1 13 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.092 -0.097 25816 5961 1 13 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.365 -0.366 25816 5962 1 13 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.506 -1.542 25816 5963 1 13 . 1 1 75 75 ALA H H 75 7.788 7.788 7.927 -0.139 25816 5964 1 13 . 1 1 76 76 ARG N N 76 114.701 114.701 117.082 -2.381 25816 5965 1 13 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.102 -0.017 25816 5966 1 13 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.994 -1.012 25816 5967 1 13 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.052 0.632 25816 5968 1 13 . 1 1 76 76 ARG H H 76 7.705 7.705 7.951 -0.246 25816 5969 1 13 . 1 1 77 77 HIS N N 77 112.695 112.695 116.546 -3.851 25816 5970 1 13 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.509 0.301 25816 5971 1 13 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.613 -0.452 25816 5972 1 13 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.439 0.594 25816 5973 1 13 . 1 1 77 77 HIS H H 77 8.123 8.123 7.633 0.490 25816 5974 1 13 . 1 1 78 78 VAL N N 78 119.219 119.219 118.747 0.472 25816 5975 1 13 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.832 0.061 25816 5976 1 13 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.649 -0.084 25816 5977 1 13 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.514 -1.386 25816 5978 1 13 . 1 1 78 78 VAL H H 78 8.034 8.034 7.905 0.129 25816 5979 1 13 . 1 1 79 79 ARG N N 79 126.908 126.908 126.669 0.239 25816 5980 1 13 . 1 1 79 79 ARG CA C 79 51.361 51.361 52.427 -1.066 25816 5981 1 13 . 1 1 79 79 ARG CB C 79 30.191 30.191 33.176 -2.985 25816 5982 1 13 . 1 1 79 79 ARG H H 79 7.023 7.023 8.252 -1.229 25816 5983 1 13 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.256 -0.231 25816 5984 1 13 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.199 0.371 25816 5985 1 13 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.305 -0.093 25816 5986 1 13 . 1 1 81 81 SER N N 81 115.039 115.039 116.726 -1.687 25816 5987 1 13 . 1 1 81 81 SER HA H 81 4.047 4.047 4.122 -0.075 25816 5988 1 13 . 1 1 81 81 SER CA C 81 60.713 60.713 59.456 1.258 25816 5989 1 13 . 1 1 81 81 SER H H 81 8.210 8.210 8.289 -0.079 25816 5990 1 13 . 1 1 82 82 ALA N N 82 123.546 123.546 126.433 -2.887 25816 5991 1 13 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.787 -0.441 25816 5992 1 13 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.307 0.199 25816 5993 1 13 . 1 1 82 82 ALA CB C 82 19.095 19.095 22.897 -3.802 25816 5994 1 13 . 1 1 82 82 ALA H H 82 7.770 7.770 7.700 0.070 25816 5995 1 13 . 1 1 83 83 SER N N 83 116.753 116.753 117.333 -0.580 25816 5996 1 13 . 1 1 83 83 SER HA H 83 5.129 5.129 4.987 0.142 25816 5997 1 13 . 1 1 83 83 SER CA C 83 56.582 56.582 57.409 -0.827 25816 5998 1 13 . 1 1 83 83 SER CB C 83 62.554 62.554 63.060 -0.506 25816 5999 1 13 . 1 1 83 83 SER H H 83 8.524 8.524 8.491 0.033 25816 6000 1 13 . 1 1 84 84 ILE N N 84 126.985 126.985 126.208 0.777 25816 6001 1 13 . 1 1 84 84 ILE CA C 84 54.786 54.786 58.385 -3.599 25816 6002 1 13 . 1 1 84 84 ILE CB C 84 38.424 38.424 38.572 -0.148 25816 6003 1 13 . 1 1 84 84 ILE H H 84 9.599 9.599 8.068 1.531 25816 6004 1 13 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.437 0.508 25816 6005 1 13 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.550 -0.995 25816 6006 1 13 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.171 0.256 25816 6007 1 13 . 1 1 86 86 VAL N N 86 123.811 123.811 127.556 -3.745 25816 6008 1 13 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.320 0.529 25816 6009 1 13 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.927 -1.154 25816 6010 1 13 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.336 0.308 25816 6011 1 13 . 1 1 86 86 VAL H H 86 9.033 9.033 7.987 1.046 25816 6012 1 13 . 1 1 87 87 VAL N N 87 127.839 127.839 128.388 -0.549 25816 6013 1 13 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.262 0.710 25816 6014 1 13 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.721 -1.028 25816 6015 1 13 . 1 1 87 87 VAL CB C 87 32.418 32.418 33.407 -0.989 25816 6016 1 13 . 1 1 87 87 VAL H H 87 9.132 9.132 8.559 0.573 25816 6017 1 13 . 1 1 88 88 PHE N N 88 127.301 127.301 126.382 0.919 25816 6018 1 13 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.432 0.186 25816 6019 1 13 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.523 -0.312 25816 6020 1 13 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.506 -1.504 25816 6021 1 13 . 1 1 88 88 PHE H H 88 9.248 9.248 7.938 1.310 25816 6022 1 13 . 1 1 89 89 SER N N 89 113.734 113.734 114.451 -0.717 25816 6023 1 13 . 1 1 89 89 SER HA H 89 5.336 5.336 4.899 0.437 25816 6024 1 13 . 1 1 89 89 SER CA C 89 54.452 54.452 57.292 -2.840 25816 6025 1 13 . 1 1 89 89 SER CB C 89 64.474 64.474 66.547 -2.073 25816 6026 1 13 . 1 1 89 89 SER H H 89 9.689 9.689 8.213 1.476 25816 6027 1 13 . 1 1 90 90 ARG N N 90 128.114 128.114 124.056 4.058 25816 6028 1 13 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.604 0.143 25816 6029 1 13 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.420 -1.298 25816 6030 1 13 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.198 1.138 25816 6031 1 13 . 1 1 90 90 ARG H H 90 8.561 8.561 8.043 0.518 25816 6032 1 13 . 1 1 91 91 ASP N N 91 129.790 129.790 122.780 7.010 25816 6033 1 13 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.410 -0.141 25816 6034 1 13 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.079 -0.578 25816 6035 1 13 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.803 0.278 25816 6036 1 13 . 1 1 91 91 ASP H H 91 9.461 9.461 8.792 0.669 25816 6037 1 13 . 1 1 92 92 GLY N N 92 102.404 102.404 102.195 0.209 25816 6038 1 13 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.820 -0.515 25816 6039 1 13 . 1 1 92 92 GLY H H 92 8.391 8.391 8.523 -0.132 25816 6040 1 13 . 1 1 93 93 VAL N N 93 123.090 123.090 121.725 1.365 25816 6041 1 13 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.946 0.056 25816 6042 1 13 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.239 -1.973 25816 6043 1 13 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.483 -0.665 25816 6044 1 13 . 1 1 93 93 VAL H H 93 7.682 7.682 7.180 0.502 25816 6045 1 13 . 1 1 94 94 VAL N N 94 128.414 128.414 126.701 1.713 25816 6046 1 13 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.320 -0.186 25816 6047 1 13 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.416 1.924 25816 6048 1 13 . 1 1 94 94 VAL CB C 94 30.116 30.116 33.334 -3.218 25816 6049 1 13 . 1 1 94 94 VAL H H 94 8.400 8.400 8.240 0.160 25816 6050 1 13 . 1 1 95 95 MET N N 95 129.196 129.196 128.848 0.348 25816 6051 1 13 . 1 1 95 95 MET HA H 95 4.352 4.352 4.660 -0.308 25816 6052 1 13 . 1 1 95 95 MET CA C 95 53.674 53.674 54.094 -0.420 25816 6053 1 13 . 1 1 95 95 MET CB C 95 36.104 36.104 36.758 -0.653 25816 6054 1 13 . 1 1 95 95 MET H H 95 9.100 9.100 8.091 1.009 25816 6055 1 13 . 1 1 96 96 SER N N 96 111.540 111.540 116.021 -4.481 25816 6056 1 13 . 1 1 96 96 SER HA H 96 5.469 5.469 4.829 0.640 25816 6057 1 13 . 1 1 96 96 SER CA C 96 55.830 55.830 57.320 -1.490 25816 6058 1 13 . 1 1 96 96 SER CB C 96 65.471 65.471 64.759 0.712 25816 6059 1 13 . 1 1 96 96 SER H H 96 8.004 8.004 8.284 -0.280 25816 6060 1 13 . 1 1 97 97 ALA N N 97 124.079 124.079 127.633 -3.554 25816 6061 1 13 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.819 -0.031 25816 6062 1 13 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.911 -1.512 25816 6063 1 13 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.024 0.520 25816 6064 1 13 . 1 1 97 97 ALA H H 97 9.145 9.145 8.221 0.924 25816 6065 1 13 . 1 1 98 98 THR N N 98 117.342 117.342 118.073 -0.731 25816 6066 1 13 . 1 1 98 98 THR HA H 98 4.823 4.823 4.744 0.079 25816 6067 1 13 . 1 1 98 98 THR CA C 98 61.053 61.053 61.676 -0.623 25816 6068 1 13 . 1 1 98 98 THR CB C 98 69.913 69.913 69.715 0.198 25816 6069 1 13 . 1 1 98 98 THR H H 98 8.754 8.754 8.339 0.415 25816 6070 1 13 . 1 1 99 99 ILE N N 99 125.689 125.689 123.571 2.118 25816 6071 1 13 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.619 -0.508 25816 6072 1 13 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.033 -0.664 25816 6073 1 13 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.403 0.288 25816 6074 1 13 . 1 1 99 99 ILE H H 99 8.868 8.868 8.070 0.798 25816 6075 1 13 . 1 1 100 100 VAL N N 100 129.871 129.871 123.869 6.002 25816 6076 1 13 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.559 0.107 25816 6077 1 13 . 1 1 100 100 VAL CA C 100 60.867 60.867 61.422 -0.555 25816 6078 1 13 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.432 -1.822 25816 6079 1 13 . 1 1 100 100 VAL H H 100 8.818 8.818 8.351 0.467 25816 6080 1 13 . 1 1 101 101 VAL N N 101 128.299 128.299 127.224 1.075 25816 6081 1 13 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.317 -0.948 25816 6082 1 13 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.688 2.639 25816 6083 1 13 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.148 -2.174 25816 6084 1 13 . 1 1 101 101 VAL H H 101 8.795 8.795 7.717 1.078 25816 6085 1 13 . 1 1 102 102 GLY N N 102 115.466 115.466 114.146 1.320 25816 6086 1 13 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.573 -0.893 25816 6087 1 13 . 1 1 102 102 GLY H H 102 8.393 8.393 8.863 -0.470 25816 6088 1 13 . 1 1 103 103 GLU N N 103 119.459 119.459 123.320 -3.861 25816 6089 1 13 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.296 0.659 25816 6090 1 13 . 1 1 103 103 GLU CA C 103 54.746 54.746 57.304 -2.558 25816 6091 1 13 . 1 1 103 103 GLU CB C 103 32.201 32.201 29.934 2.267 25816 6092 1 13 . 1 1 103 103 GLU H H 103 8.386 8.386 8.513 -0.127 25816 6093 1 13 . 1 1 104 104 LEU N N 104 123.881 123.881 116.800 7.081 25816 6094 1 13 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.469 0.231 25816 6095 1 13 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.777 -1.210 25816 6096 1 13 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.476 1.582 25816 6097 1 13 . 1 1 104 104 LEU H H 104 8.735 8.735 7.656 1.079 25816 6098 1 14 . 1 1 2 2 LEU N N 2 122.611 122.611 123.205 -0.594 25816 6099 1 14 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.642 -0.250 25816 6100 1 14 . 1 1 2 2 LEU CA C 2 54.332 54.332 56.171 -1.839 25816 6101 1 14 . 1 1 2 2 LEU CB C 2 41.317 41.317 43.249 -1.932 25816 6102 1 14 . 1 1 2 2 LEU H H 2 8.535 8.535 8.390 0.145 25816 6103 1 14 . 1 1 3 3 THR N N 3 112.475 112.475 118.544 -6.069 25816 6104 1 14 . 1 1 3 3 THR HA H 3 4.777 4.777 4.685 0.092 25816 6105 1 14 . 1 1 3 3 THR CA C 3 59.259 59.259 61.625 -2.366 25816 6106 1 14 . 1 1 3 3 THR CB C 3 70.185 70.185 70.904 -0.720 25816 6107 1 14 . 1 1 3 3 THR H H 3 7.903 7.903 8.126 -0.223 25816 6108 1 14 . 1 1 4 4 ARG N N 4 120.183 120.183 121.888 -1.705 25816 6109 1 14 . 1 1 4 4 ARG H H 4 8.809 8.809 8.564 0.245 25816 6110 1 14 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.569 -0.197 25816 6111 1 14 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.713 2.304 25816 6112 1 14 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.575 -0.987 25816 6113 1 14 . 1 1 6 6 TYR N N 6 120.727 120.727 118.658 2.069 25816 6114 1 14 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.704 -0.070 25816 6115 1 14 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.489 -1.413 25816 6116 1 14 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.258 -0.204 25816 6117 1 14 . 1 1 6 6 TYR H H 6 7.530 7.530 8.302 -0.772 25816 6118 1 14 . 1 1 7 7 LEU N N 7 126.575 126.575 121.300 5.275 25816 6119 1 14 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.441 0.966 25816 6120 1 14 . 1 1 7 7 LEU H H 7 8.500 8.500 8.003 0.497 25816 6121 1 14 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.017 0.690 25816 6122 1 14 . 1 1 9 9 PHE N N 9 114.612 114.612 116.709 -2.097 25816 6123 1 14 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.882 0.476 25816 6124 1 14 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.333 -0.071 25816 6125 1 14 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.371 -0.917 25816 6126 1 14 . 1 1 9 9 PHE H H 9 7.102 7.102 7.116 -0.014 25816 6127 1 14 . 1 1 10 10 ARG N N 10 117.800 117.800 120.688 -2.888 25816 6128 1 14 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.669 0.002 25816 6129 1 14 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.386 -1.987 25816 6130 1 14 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.083 0.732 25816 6131 1 14 . 1 1 10 10 ARG H H 10 8.206 8.206 8.765 -0.559 25816 6132 1 14 . 1 1 11 11 VAL N N 11 117.216 117.216 123.025 -5.809 25816 6133 1 14 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.553 0.614 25816 6134 1 14 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.984 -2.794 25816 6135 1 14 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.643 -0.768 25816 6136 1 14 . 1 1 11 11 VAL H H 11 8.601 8.601 8.556 0.045 25816 6137 1 14 . 1 1 12 12 ALA N N 12 123.025 123.025 132.432 -9.407 25816 6138 1 14 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.861 -0.281 25816 6139 1 14 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.629 -1.086 25816 6140 1 14 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.671 1.111 25816 6141 1 14 . 1 1 12 12 ALA H H 12 8.861 8.861 8.180 0.681 25816 6142 1 14 . 1 1 13 13 VAL N N 13 121.395 121.395 123.429 -2.034 25816 6143 1 14 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.098 0.453 25816 6144 1 14 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.055 -0.772 25816 6145 1 14 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.449 -0.755 25816 6146 1 14 . 1 1 13 13 VAL H H 13 8.585 8.585 8.698 -0.113 25816 6147 1 14 . 1 1 14 14 GLY N N 14 117.546 117.546 116.560 0.986 25816 6148 1 14 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.539 -2.155 25816 6149 1 14 . 1 1 14 14 GLY H H 14 8.789 8.789 8.105 0.684 25816 6150 1 14 . 1 1 15 15 ARG N N 15 120.075 120.075 121.369 -1.294 25816 6151 1 14 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.741 0.369 25816 6152 1 14 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.240 -1.347 25816 6153 1 14 . 1 1 15 15 ARG CB C 15 32.756 32.756 33.079 -0.323 25816 6154 1 14 . 1 1 15 15 ARG H H 15 8.299 8.299 8.394 -0.095 25816 6155 1 14 . 1 1 16 16 ASP N N 16 123.872 123.872 123.600 0.272 25816 6156 1 14 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.690 0.055 25816 6157 1 14 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.518 -1.147 25816 6158 1 14 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.310 -0.558 25816 6159 1 14 . 1 1 16 16 ASP H H 16 8.619 8.619 8.407 0.212 25816 6160 1 14 . 1 1 17 17 SER N N 17 114.309 114.309 113.972 0.337 25816 6161 1 14 . 1 1 17 17 SER HA H 17 4.196 4.196 4.231 -0.035 25816 6162 1 14 . 1 1 17 17 SER CA C 17 59.950 59.950 60.791 -0.841 25816 6163 1 14 . 1 1 17 17 SER CB C 17 61.825 61.825 63.051 -1.226 25816 6164 1 14 . 1 1 17 17 SER H H 17 8.624 8.624 8.346 0.278 25816 6165 1 14 . 1 1 18 18 SER N N 18 117.903 117.903 114.261 3.642 25816 6166 1 14 . 1 1 18 18 SER HA H 18 4.597 4.597 4.350 0.247 25816 6167 1 14 . 1 1 18 18 SER CA C 18 57.732 57.732 58.165 -0.433 25816 6168 1 14 . 1 1 18 18 SER CB C 18 63.470 63.470 63.571 -0.101 25816 6169 1 14 . 1 1 18 18 SER H H 18 8.385 8.385 7.884 0.501 25816 6170 1 14 . 1 1 19 19 GLY N N 19 109.883 109.883 110.087 -0.204 25816 6171 1 14 . 1 1 19 19 GLY CA C 19 44.171 44.171 46.028 -1.857 25816 6172 1 14 . 1 1 19 19 GLY H H 19 8.214 8.214 8.030 0.184 25816 6173 1 14 . 1 1 20 20 CYS N N 20 122.167 122.167 120.101 2.066 25816 6174 1 14 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.514 -0.026 25816 6175 1 14 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.860 0.177 25816 6176 1 14 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.067 -2.381 25816 6177 1 14 . 1 1 20 20 CYS H H 20 8.286 8.286 8.210 0.076 25816 6178 1 14 . 1 1 21 21 THR N N 21 119.387 119.387 114.501 4.886 25816 6179 1 14 . 1 1 21 21 THR HA H 21 4.764 4.764 4.178 0.586 25816 6180 1 14 . 1 1 21 21 THR CA C 21 61.953 61.953 62.996 -1.043 25816 6181 1 14 . 1 1 21 21 THR CB C 21 68.795 68.795 67.779 1.016 25816 6182 1 14 . 1 1 21 21 THR H H 21 8.626 8.626 8.017 0.609 25816 6183 1 14 . 1 1 22 22 THR N N 22 116.611 116.611 114.741 1.870 25816 6184 1 14 . 1 1 22 22 THR HA H 22 4.513 4.513 4.767 -0.254 25816 6185 1 14 . 1 1 22 22 THR CA C 22 58.918 58.918 60.009 -1.091 25816 6186 1 14 . 1 1 22 22 THR CB C 22 71.128 71.128 71.779 -0.651 25816 6187 1 14 . 1 1 22 22 THR H H 22 8.343 8.343 8.157 0.186 25816 6188 1 14 . 1 1 23 23 LEU N N 23 122.893 122.893 125.744 -2.851 25816 6189 1 14 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.030 -0.098 25816 6190 1 14 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.931 -1.444 25816 6191 1 14 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.487 -1.222 25816 6192 1 14 . 1 1 23 23 LEU H H 23 9.157 9.157 8.695 0.462 25816 6193 1 14 . 1 1 24 24 SER N N 24 116.771 116.771 118.563 -1.792 25816 6194 1 14 . 1 1 24 24 SER HA H 24 5.173 5.173 4.712 0.461 25816 6195 1 14 . 1 1 24 24 SER CA C 24 55.247 55.247 56.826 -1.579 25816 6196 1 14 . 1 1 24 24 SER CB C 24 64.841 64.841 64.252 0.589 25816 6197 1 14 . 1 1 24 24 SER H H 24 8.656 8.656 8.069 0.587 25816 6198 1 14 . 1 1 25 25 ILE N N 25 122.747 122.747 126.592 -3.845 25816 6199 1 14 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.807 -0.776 25816 6200 1 14 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.651 2.619 25816 6201 1 14 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.821 -2.172 25816 6202 1 14 . 1 1 25 25 ILE H H 25 9.023 9.023 8.851 0.172 25816 6203 1 14 . 1 1 26 26 GLN N N 26 129.779 129.779 126.099 3.680 25816 6204 1 14 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.369 0.060 25816 6205 1 14 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.885 -2.298 25816 6206 1 14 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.221 1.055 25816 6207 1 14 . 1 1 26 26 GLN H H 26 9.093 9.093 8.634 0.459 25816 6208 1 14 . 1 1 27 27 GLU N N 27 118.722 118.722 117.866 0.856 25816 6209 1 14 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.022 -0.057 25816 6210 1 14 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.559 -0.537 25816 6211 1 14 . 1 1 27 27 GLU H H 27 7.479 7.479 7.792 -0.313 25816 6212 1 14 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.434 0.009 25816 6213 1 14 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.508 -0.353 25816 6214 1 14 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.131 2.549 25816 6215 1 14 . 1 1 29 29 THR N N 29 124.459 124.459 117.949 6.510 25816 6216 1 14 . 1 1 29 29 THR HA H 29 4.183 4.183 4.370 -0.187 25816 6217 1 14 . 1 1 29 29 THR CA C 29 62.474 62.474 61.207 1.267 25816 6218 1 14 . 1 1 29 29 THR CB C 29 68.811 68.811 68.942 -0.131 25816 6219 1 14 . 1 1 29 29 THR H H 29 8.009 8.009 8.361 -0.352 25816 6220 1 14 . 1 1 30 30 GLN N N 30 130.053 130.053 120.288 9.765 25816 6221 1 14 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.670 -1.148 25816 6222 1 14 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.079 2.807 25816 6223 1 14 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.642 -1.337 25816 6224 1 14 . 1 1 30 30 GLN H H 30 9.321 9.321 8.170 1.151 25816 6225 1 14 . 1 1 31 31 THR N N 31 111.234 111.234 109.566 1.668 25816 6226 1 14 . 1 1 31 31 THR HA H 31 5.509 5.509 4.591 0.918 25816 6227 1 14 . 1 1 31 31 THR CA C 31 58.798 58.798 60.738 -1.940 25816 6228 1 14 . 1 1 31 31 THR CB C 31 71.374 71.374 68.656 2.719 25816 6229 1 14 . 1 1 31 31 THR H H 31 7.630 7.630 8.019 -0.389 25816 6230 1 14 . 1 1 32 32 TYR N N 32 121.998 121.998 118.876 3.122 25816 6231 1 14 . 1 1 32 32 TYR HA H 32 4.803 4.803 5.251 -0.448 25816 6232 1 14 . 1 1 32 32 TYR CA C 32 54.799 54.799 55.762 -0.963 25816 6233 1 14 . 1 1 32 32 TYR CB C 32 39.718 39.718 40.578 -0.860 25816 6234 1 14 . 1 1 32 32 TYR H H 32 9.359 9.359 7.774 1.585 25816 6235 1 14 . 1 1 33 33 THR N N 33 114.039 114.039 115.830 -1.791 25816 6236 1 14 . 1 1 33 33 THR HA H 33 4.390 4.390 4.192 0.198 25816 6237 1 14 . 1 1 33 33 THR CA C 33 59.896 59.896 60.553 -0.657 25816 6238 1 14 . 1 1 33 33 THR CB C 33 69.135 69.135 70.131 -0.996 25816 6239 1 14 . 1 1 33 33 THR H H 33 7.985 7.985 9.201 -1.216 25816 6240 1 14 . 1 1 34 34 GLY N N 34 113.445 113.445 108.316 5.129 25816 6241 1 14 . 1 1 34 34 GLY CA C 34 44.072 44.072 44.730 -0.659 25816 6242 1 14 . 1 1 34 34 GLY H H 34 8.698 8.698 8.298 0.400 25816 6243 1 14 . 1 1 35 35 SER N N 35 113.837 113.837 113.204 0.633 25816 6244 1 14 . 1 1 35 35 SER HA H 35 4.264 4.264 4.022 0.242 25816 6245 1 14 . 1 1 35 35 SER CA C 35 57.651 57.651 59.189 -1.538 25816 6246 1 14 . 1 1 35 35 SER CB C 35 63.056 63.056 63.388 -0.332 25816 6247 1 14 . 1 1 35 35 SER H H 35 8.039 8.039 8.417 -0.378 25816 6248 1 14 . 1 1 36 36 ASN N N 36 119.749 119.749 121.315 -1.566 25816 6249 1 14 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.549 0.035 25816 6250 1 14 . 1 1 36 36 ASN CA C 36 52.781 52.781 55.127 -2.346 25816 6251 1 14 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.336 -1.150 25816 6252 1 14 . 1 1 36 36 ASN H H 36 8.767 8.767 8.791 -0.024 25816 6253 1 14 . 1 1 37 37 GLY N N 37 110.628 110.628 105.407 5.221 25816 6254 1 14 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.276 0.309 25816 6255 1 14 . 1 1 37 37 GLY H H 37 8.496 8.496 7.422 1.074 25816 6256 1 14 . 1 1 38 38 GLY N N 38 108.654 108.654 108.082 0.572 25816 6257 1 14 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.253 -1.153 25816 6258 1 14 . 1 1 38 38 GLY H H 38 7.955 7.955 7.726 0.229 25816 6259 1 14 . 1 1 39 39 ALA N N 39 123.326 123.326 127.931 -4.605 25816 6260 1 14 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.385 -0.174 25816 6261 1 14 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.146 -1.308 25816 6262 1 14 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.078 -1.349 25816 6263 1 14 . 1 1 39 39 ALA H H 39 8.028 8.028 8.257 -0.229 25816 6264 1 14 . 1 1 40 40 ASP N N 40 119.573 119.573 117.777 1.796 25816 6265 1 14 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.481 -0.094 25816 6266 1 14 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.509 -0.515 25816 6267 1 14 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.322 -0.695 25816 6268 1 14 . 1 1 40 40 ASP H H 40 8.261 8.261 8.142 0.119 25816 6269 1 14 . 1 1 41 41 LEU N N 41 123.899 123.899 123.902 -0.003 25816 6270 1 14 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.439 0.003 25816 6271 1 14 . 1 1 41 41 LEU CA C 41 52.221 52.221 56.267 -4.046 25816 6272 1 14 . 1 1 41 41 LEU CB C 41 43.009 43.009 43.685 -0.676 25816 6273 1 14 . 1 1 41 41 LEU H H 41 8.663 8.663 8.356 0.307 25816 6274 1 14 . 1 1 42 42 MET N N 42 119.684 119.684 117.655 2.029 25816 6275 1 14 . 1 1 42 42 MET HA H 42 4.730 4.730 4.548 0.182 25816 6276 1 14 . 1 1 42 42 MET CA C 42 54.695 54.695 55.608 -0.913 25816 6277 1 14 . 1 1 42 42 MET CB C 42 32.194 32.194 34.533 -2.339 25816 6278 1 14 . 1 1 42 42 MET H H 42 8.553 8.553 7.626 0.927 25816 6279 1 14 . 1 1 43 43 GLY N N 43 113.052 113.052 110.427 2.625 25816 6280 1 14 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.719 -3.341 25816 6281 1 14 . 1 1 43 43 GLY H H 43 8.618 8.618 8.514 0.104 25816 6282 1 14 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.830 -0.110 25816 6283 1 14 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.137 -2.906 25816 6284 1 14 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.497 0.456 25816 6285 1 14 . 1 1 45 45 ALA N N 45 120.693 120.693 123.299 -2.606 25816 6286 1 14 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.203 -0.219 25816 6287 1 14 . 1 1 45 45 ALA CA C 45 53.804 53.804 55.044 -1.240 25816 6288 1 14 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.070 -0.103 25816 6289 1 14 . 1 1 45 45 ALA H H 45 7.524 7.524 7.740 -0.216 25816 6290 1 14 . 1 1 46 46 PHE N N 46 122.306 122.306 118.438 3.868 25816 6291 1 14 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.241 -0.279 25816 6292 1 14 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.663 -0.337 25816 6293 1 14 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.606 0.014 25816 6294 1 14 . 1 1 46 46 PHE H H 46 8.603 8.603 8.501 0.102 25816 6295 1 14 . 1 1 47 47 ALA N N 47 123.253 123.253 120.754 2.499 25816 6296 1 14 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.204 -0.116 25816 6297 1 14 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.198 -0.247 25816 6298 1 14 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.498 -0.851 25816 6299 1 14 . 1 1 47 47 ALA H H 47 9.199 9.199 7.874 1.325 25816 6300 1 14 . 1 1 48 48 ALA N N 48 117.571 117.571 119.440 -1.869 25816 6301 1 14 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.341 -0.038 25816 6302 1 14 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.603 0.084 25816 6303 1 14 . 1 1 48 48 ALA CB C 48 18.772 18.772 20.020 -1.248 25816 6304 1 14 . 1 1 48 48 ALA H H 48 7.262 7.262 7.542 -0.280 25816 6305 1 14 . 1 1 49 49 GLY N N 49 103.229 103.229 107.068 -3.839 25816 6306 1 14 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.759 -1.140 25816 6307 1 14 . 1 1 49 49 GLY H H 49 7.461 7.461 7.755 -0.294 25816 6308 1 14 . 1 1 50 50 LEU N N 50 120.470 120.470 120.280 0.190 25816 6309 1 14 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.039 -0.521 25816 6310 1 14 . 1 1 50 50 LEU CA C 50 54.412 54.412 56.239 -1.827 25816 6311 1 14 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.922 -0.967 25816 6312 1 14 . 1 1 50 50 LEU H H 50 7.224 7.224 7.620 -0.396 25816 6313 1 14 . 1 1 51 51 ARG N N 51 119.645 119.645 124.696 -5.051 25816 6314 1 14 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.100 -1.609 25816 6315 1 14 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.394 -0.578 25816 6316 1 14 . 1 1 51 51 ARG H H 51 8.678 8.678 7.996 0.682 25816 6317 1 14 . 1 1 52 52 VAL N N 52 119.995 119.995 118.490 1.505 25816 6318 1 14 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.832 -0.609 25816 6319 1 14 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.766 0.452 25816 6320 1 14 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.378 -1.229 25816 6321 1 14 . 1 1 52 52 VAL H H 52 8.482 8.482 8.258 0.224 25816 6322 1 14 . 1 1 53 53 GLY N N 53 117.052 117.052 114.827 2.225 25816 6323 1 14 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.865 -1.440 25816 6324 1 14 . 1 1 53 53 GLY H H 53 9.122 9.122 9.214 -0.092 25816 6325 1 14 . 1 1 54 54 ASP N N 54 124.203 124.203 120.825 3.378 25816 6326 1 14 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.072 -0.239 25816 6327 1 14 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.749 0.985 25816 6328 1 14 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.252 -1.973 25816 6329 1 14 . 1 1 54 54 ASP H H 54 7.848 7.848 7.564 0.284 25816 6330 1 14 . 1 1 55 55 GLN N N 55 121.703 121.703 123.539 -1.836 25816 6331 1 14 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.796 0.071 25816 6332 1 14 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.408 -1.882 25816 6333 1 14 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.004 -0.972 25816 6334 1 14 . 1 1 55 55 GLN H H 55 9.158 9.158 8.213 0.945 25816 6335 1 14 . 1 1 56 56 LEU N N 56 124.733 124.733 127.033 -2.300 25816 6336 1 14 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.456 -0.269 25816 6337 1 14 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.818 0.377 25816 6338 1 14 . 1 1 56 56 LEU CB C 56 42.013 42.013 40.514 1.500 25816 6339 1 14 . 1 1 56 56 LEU H H 56 8.770 8.770 8.258 0.512 25816 6340 1 14 . 1 1 57 57 VAL N N 57 123.383 123.383 120.978 2.405 25816 6341 1 14 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.432 -0.124 25816 6342 1 14 . 1 1 57 57 VAL CA C 57 63.143 63.143 59.686 3.457 25816 6343 1 14 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.356 -0.721 25816 6344 1 14 . 1 1 57 57 VAL H H 57 8.889 8.889 7.722 1.167 25816 6345 1 14 . 1 1 58 58 ARG N N 58 118.094 118.094 119.547 -1.453 25816 6346 1 14 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.566 0.772 25816 6347 1 14 . 1 1 58 58 ARG CA C 58 54.212 54.212 56.408 -2.196 25816 6348 1 14 . 1 1 58 58 ARG CB C 58 34.613 34.613 33.332 1.281 25816 6349 1 14 . 1 1 58 58 ARG H H 58 8.531 8.531 8.637 -0.106 25816 6350 1 14 . 1 1 59 59 PHE N N 59 123.332 123.332 119.910 3.422 25816 6351 1 14 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.480 0.455 25816 6352 1 14 . 1 1 59 59 PHE CA C 59 56.856 56.856 57.467 -0.611 25816 6353 1 14 . 1 1 59 59 PHE CB C 59 42.971 42.971 39.983 2.988 25816 6354 1 14 . 1 1 59 59 PHE H H 59 9.295 9.295 8.236 1.059 25816 6355 1 14 . 1 1 60 60 ALA N N 60 127.537 127.537 130.493 -2.956 25816 6356 1 14 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.839 -0.252 25816 6357 1 14 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.609 -1.235 25816 6358 1 14 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.483 -2.010 25816 6359 1 14 . 1 1 60 60 ALA H H 60 8.356 8.356 8.802 -0.446 25816 6360 1 14 . 1 1 61 61 GLY N N 61 103.058 103.058 104.808 -1.750 25816 6361 1 14 . 1 1 61 61 GLY CA C 61 43.787 43.787 45.121 -1.335 25816 6362 1 14 . 1 1 61 61 GLY H H 61 9.178 9.178 7.754 1.424 25816 6363 1 14 . 1 1 62 62 TYR N N 62 120.218 120.218 116.151 4.067 25816 6364 1 14 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.870 -0.240 25816 6365 1 14 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.340 -0.763 25816 6366 1 14 . 1 1 62 62 TYR CB C 62 38.892 38.892 38.328 0.564 25816 6367 1 14 . 1 1 62 62 TYR H H 62 7.888 7.888 7.151 0.737 25816 6368 1 14 . 1 1 63 63 THR N N 63 120.933 120.933 115.419 5.514 25816 6369 1 14 . 1 1 63 63 THR HA H 63 4.479 4.479 4.620 -0.141 25816 6370 1 14 . 1 1 63 63 THR CA C 63 62.851 62.851 62.690 0.161 25816 6371 1 14 . 1 1 63 63 THR CB C 63 67.848 67.848 69.404 -1.556 25816 6372 1 14 . 1 1 63 63 THR H H 63 9.108 9.108 7.725 1.383 25816 6373 1 14 . 1 1 64 64 VAL N N 64 121.039 121.039 124.344 -3.305 25816 6374 1 14 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.497 0.102 25816 6375 1 14 . 1 1 64 64 VAL CA C 64 58.867 58.867 61.639 -2.772 25816 6376 1 14 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.061 -2.057 25816 6377 1 14 . 1 1 64 64 VAL H H 64 7.782 7.782 8.329 -0.547 25816 6378 1 14 . 1 1 65 65 THR N N 65 114.373 114.373 115.672 -1.299 25816 6379 1 14 . 1 1 65 65 THR HA H 65 4.452 4.452 4.549 -0.097 25816 6380 1 14 . 1 1 65 65 THR CA C 65 60.536 60.536 62.959 -2.422 25816 6381 1 14 . 1 1 65 65 THR CB C 65 69.037 69.037 69.646 -0.609 25816 6382 1 14 . 1 1 65 65 THR H H 65 9.053 9.053 8.390 0.663 25816 6383 1 14 . 1 1 66 66 GLU N N 66 115.766 115.766 120.375 -4.609 25816 6384 1 14 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.465 0.098 25816 6385 1 14 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.657 -2.270 25816 6386 1 14 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.271 0.294 25816 6387 1 14 . 1 1 66 66 GLU H H 66 7.345 7.345 8.036 -0.691 25816 6388 1 14 . 1 1 67 67 LEU N N 67 124.674 124.674 116.728 7.946 25816 6389 1 14 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.559 -0.625 25816 6390 1 14 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.405 0.130 25816 6391 1 14 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.159 -0.106 25816 6392 1 14 . 1 1 67 67 LEU H H 67 8.906 8.906 8.651 0.255 25816 6393 1 14 . 1 1 68 68 ALA N N 68 120.493 120.493 122.036 -1.543 25816 6394 1 14 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.882 0.254 25816 6395 1 14 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.858 -0.184 25816 6396 1 14 . 1 1 68 68 ALA CB C 68 16.521 16.521 18.061 -1.540 25816 6397 1 14 . 1 1 68 68 ALA H H 68 9.022 9.022 8.151 0.871 25816 6398 1 14 . 1 1 69 69 ALA N N 69 119.695 119.695 121.204 -1.509 25816 6399 1 14 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.138 0.024 25816 6400 1 14 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.576 -0.556 25816 6401 1 14 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.542 -0.879 25816 6402 1 14 . 1 1 69 69 ALA H H 69 7.258 7.258 7.583 -0.325 25816 6403 1 14 . 1 1 70 70 PHE N N 70 119.274 119.274 119.072 0.202 25816 6404 1 14 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.182 -0.223 25816 6405 1 14 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.949 0.011 25816 6406 1 14 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.455 -1.023 25816 6407 1 14 . 1 1 70 70 PHE H H 70 7.769 7.769 7.645 0.124 25816 6408 1 14 . 1 1 71 71 ASN N N 71 117.363 117.363 118.008 -0.645 25816 6409 1 14 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.441 -0.339 25816 6410 1 14 . 1 1 71 71 ASN CA C 71 54.697 54.697 55.698 -1.001 25816 6411 1 14 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.553 -2.480 25816 6412 1 14 . 1 1 71 71 ASN H H 71 8.801 8.801 8.602 0.199 25816 6413 1 14 . 1 1 72 72 THR N N 72 119.746 119.746 115.230 4.516 25816 6414 1 14 . 1 1 72 72 THR HA H 72 4.220 4.220 4.047 0.173 25816 6415 1 14 . 1 1 72 72 THR CA C 72 65.927 65.927 65.713 0.214 25816 6416 1 14 . 1 1 72 72 THR CB C 72 67.600 67.600 68.379 -0.780 25816 6417 1 14 . 1 1 72 72 THR H H 72 8.109 8.109 7.604 0.505 25816 6418 1 14 . 1 1 73 73 VAL N N 73 123.156 123.156 118.695 4.461 25816 6419 1 14 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.394 0.061 25816 6420 1 14 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.861 0.295 25816 6421 1 14 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.190 -0.854 25816 6422 1 14 . 1 1 73 73 VAL H H 73 7.744 7.744 7.442 0.302 25816 6423 1 14 . 1 1 74 74 VAL N N 74 120.420 120.420 119.174 1.246 25816 6424 1 14 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.435 -0.069 25816 6425 1 14 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.809 -0.212 25816 6426 1 14 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.154 -0.669 25816 6427 1 14 . 1 1 74 74 VAL H H 74 8.154 8.154 7.534 0.620 25816 6428 1 14 . 1 1 75 75 ALA N N 75 120.206 120.206 120.250 -0.044 25816 6429 1 14 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.874 0.121 25816 6430 1 14 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.498 -0.499 25816 6431 1 14 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.635 -1.671 25816 6432 1 14 . 1 1 75 75 ALA H H 75 7.788 7.788 7.792 -0.004 25816 6433 1 14 . 1 1 76 76 ARG N N 76 114.701 114.701 117.743 -3.042 25816 6434 1 14 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.030 0.055 25816 6435 1 14 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.822 -0.840 25816 6436 1 14 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.035 0.649 25816 6437 1 14 . 1 1 76 76 ARG H H 76 7.705 7.705 8.050 -0.345 25816 6438 1 14 . 1 1 77 77 HIS N N 77 112.695 112.695 116.605 -3.910 25816 6439 1 14 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.714 0.096 25816 6440 1 14 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.804 1.357 25816 6441 1 14 . 1 1 77 77 HIS CB C 77 31.033 31.033 29.130 1.903 25816 6442 1 14 . 1 1 77 77 HIS H H 77 8.123 8.123 7.417 0.706 25816 6443 1 14 . 1 1 78 78 VAL N N 78 119.219 119.219 119.948 -0.729 25816 6444 1 14 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.042 -0.149 25816 6445 1 14 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.490 2.075 25816 6446 1 14 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.649 -2.521 25816 6447 1 14 . 1 1 78 78 VAL H H 78 8.034 8.034 7.198 0.836 25816 6448 1 14 . 1 1 79 79 ARG N N 79 126.908 126.908 120.874 6.034 25816 6449 1 14 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.547 -3.187 25816 6450 1 14 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.552 -0.361 25816 6451 1 14 . 1 1 79 79 ARG H H 79 7.023 7.023 7.735 -0.712 25816 6452 1 14 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.288 -0.263 25816 6453 1 14 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.176 0.394 25816 6454 1 14 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.215 -0.003 25816 6455 1 14 . 1 1 81 81 SER N N 81 115.039 115.039 118.275 -3.236 25816 6456 1 14 . 1 1 81 81 SER HA H 81 4.047 4.047 4.084 -0.037 25816 6457 1 14 . 1 1 81 81 SER CA C 81 60.713 60.713 59.227 1.486 25816 6458 1 14 . 1 1 81 81 SER H H 81 8.210 8.210 8.270 -0.060 25816 6459 1 14 . 1 1 82 82 ALA N N 82 123.546 123.546 125.418 -1.872 25816 6460 1 14 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.747 -0.401 25816 6461 1 14 . 1 1 82 82 ALA CA C 82 51.506 51.506 50.940 0.566 25816 6462 1 14 . 1 1 82 82 ALA CB C 82 19.095 19.095 22.426 -3.331 25816 6463 1 14 . 1 1 82 82 ALA H H 82 7.770 7.770 7.593 0.177 25816 6464 1 14 . 1 1 83 83 SER N N 83 116.753 116.753 117.716 -0.963 25816 6465 1 14 . 1 1 83 83 SER HA H 83 5.129 5.129 4.553 0.576 25816 6466 1 14 . 1 1 83 83 SER CA C 83 56.582 56.582 58.503 -1.921 25816 6467 1 14 . 1 1 83 83 SER CB C 83 62.554 62.554 63.367 -0.812 25816 6468 1 14 . 1 1 83 83 SER H H 83 8.524 8.524 8.553 -0.029 25816 6469 1 14 . 1 1 84 84 ILE N N 84 126.985 126.985 127.363 -0.378 25816 6470 1 14 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.837 -3.051 25816 6471 1 14 . 1 1 84 84 ILE CB C 84 38.424 38.424 38.847 -0.423 25816 6472 1 14 . 1 1 84 84 ILE H H 84 9.599 9.599 8.024 1.575 25816 6473 1 14 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.465 0.480 25816 6474 1 14 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.523 -0.969 25816 6475 1 14 . 1 1 85 85 PRO CB C 85 31.427 31.427 30.825 0.602 25816 6476 1 14 . 1 1 86 86 VAL N N 86 123.811 123.811 121.736 2.075 25816 6477 1 14 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.587 0.262 25816 6478 1 14 . 1 1 86 86 VAL CA C 86 59.773 59.773 59.543 0.230 25816 6479 1 14 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.653 -0.009 25816 6480 1 14 . 1 1 86 86 VAL H H 86 9.033 9.033 7.946 1.087 25816 6481 1 14 . 1 1 87 87 VAL N N 87 127.839 127.839 120.908 6.931 25816 6482 1 14 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.449 0.523 25816 6483 1 14 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.012 -0.319 25816 6484 1 14 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.620 0.798 25816 6485 1 14 . 1 1 87 87 VAL H H 87 9.132 9.132 8.178 0.954 25816 6486 1 14 . 1 1 88 88 PHE N N 88 127.301 127.301 125.457 1.844 25816 6487 1 14 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.620 -0.002 25816 6488 1 14 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.803 -0.592 25816 6489 1 14 . 1 1 88 88 PHE CB C 88 41.002 41.002 41.970 -0.968 25816 6490 1 14 . 1 1 88 88 PHE H H 88 9.248 9.248 7.981 1.267 25816 6491 1 14 . 1 1 89 89 SER N N 89 113.734 113.734 115.332 -1.598 25816 6492 1 14 . 1 1 89 89 SER HA H 89 5.336 5.336 4.937 0.399 25816 6493 1 14 . 1 1 89 89 SER CA C 89 54.452 54.452 57.157 -2.705 25816 6494 1 14 . 1 1 89 89 SER CB C 89 64.474 64.474 66.453 -1.979 25816 6495 1 14 . 1 1 89 89 SER H H 89 9.689 9.689 8.203 1.486 25816 6496 1 14 . 1 1 90 90 ARG N N 90 128.114 128.114 124.558 3.556 25816 6497 1 14 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.715 0.032 25816 6498 1 14 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.262 -1.140 25816 6499 1 14 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.120 1.216 25816 6500 1 14 . 1 1 90 90 ARG H H 90 8.561 8.561 7.900 0.661 25816 6501 1 14 . 1 1 91 91 ASP N N 91 129.790 129.790 122.675 7.115 25816 6502 1 14 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.372 -0.103 25816 6503 1 14 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.925 -0.424 25816 6504 1 14 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.877 0.204 25816 6505 1 14 . 1 1 91 91 ASP H H 91 9.461 9.461 8.791 0.670 25816 6506 1 14 . 1 1 92 92 GLY N N 92 102.404 102.404 102.893 -0.489 25816 6507 1 14 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.136 -0.831 25816 6508 1 14 . 1 1 92 92 GLY H H 92 8.391 8.391 8.267 0.124 25816 6509 1 14 . 1 1 93 93 VAL N N 93 123.090 123.090 122.726 0.364 25816 6510 1 14 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.870 0.132 25816 6511 1 14 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.366 -2.100 25816 6512 1 14 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.522 -0.703 25816 6513 1 14 . 1 1 93 93 VAL H H 93 7.682 7.682 7.108 0.574 25816 6514 1 14 . 1 1 94 94 VAL N N 94 128.414 128.414 126.718 1.696 25816 6515 1 14 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.079 0.055 25816 6516 1 14 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.666 0.674 25816 6517 1 14 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.546 -2.430 25816 6518 1 14 . 1 1 94 94 VAL H H 94 8.400 8.400 8.089 0.311 25816 6519 1 14 . 1 1 95 95 MET N N 95 129.196 129.196 128.822 0.374 25816 6520 1 14 . 1 1 95 95 MET HA H 95 4.352 4.352 4.731 -0.379 25816 6521 1 14 . 1 1 95 95 MET CA C 95 53.674 53.674 53.656 0.019 25816 6522 1 14 . 1 1 95 95 MET CB C 95 36.104 36.104 36.941 -0.837 25816 6523 1 14 . 1 1 95 95 MET H H 95 9.100 9.100 8.043 1.057 25816 6524 1 14 . 1 1 96 96 SER N N 96 111.540 111.540 115.781 -4.241 25816 6525 1 14 . 1 1 96 96 SER HA H 96 5.469 5.469 4.830 0.639 25816 6526 1 14 . 1 1 96 96 SER CA C 96 55.830 55.830 57.288 -1.458 25816 6527 1 14 . 1 1 96 96 SER CB C 96 65.471 65.471 65.342 0.129 25816 6528 1 14 . 1 1 96 96 SER H H 96 8.004 8.004 8.288 -0.284 25816 6529 1 14 . 1 1 97 97 ALA N N 97 124.079 124.079 128.359 -4.280 25816 6530 1 14 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.828 -0.040 25816 6531 1 14 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.184 -1.784 25816 6532 1 14 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.265 0.279 25816 6533 1 14 . 1 1 97 97 ALA H H 97 9.145 9.145 8.327 0.818 25816 6534 1 14 . 1 1 98 98 THR N N 98 117.342 117.342 118.859 -1.517 25816 6535 1 14 . 1 1 98 98 THR HA H 98 4.823 4.823 4.546 0.277 25816 6536 1 14 . 1 1 98 98 THR CA C 98 61.053 61.053 62.089 -1.036 25816 6537 1 14 . 1 1 98 98 THR CB C 98 69.913 69.913 69.501 0.412 25816 6538 1 14 . 1 1 98 98 THR H H 98 8.754 8.754 8.419 0.335 25816 6539 1 14 . 1 1 99 99 ILE N N 99 125.689 125.689 122.353 3.336 25816 6540 1 14 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.652 -0.541 25816 6541 1 14 . 1 1 99 99 ILE CA C 99 59.369 59.369 59.984 -0.615 25816 6542 1 14 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.739 -0.048 25816 6543 1 14 . 1 1 99 99 ILE H H 99 8.868 8.868 7.892 0.976 25816 6544 1 14 . 1 1 100 100 VAL N N 100 129.871 129.871 123.629 6.242 25816 6545 1 14 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.715 -0.049 25816 6546 1 14 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.610 0.257 25816 6547 1 14 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.962 -2.352 25816 6548 1 14 . 1 1 100 100 VAL H H 100 8.818 8.818 8.467 0.351 25816 6549 1 14 . 1 1 101 101 VAL N N 101 128.299 128.299 126.458 1.841 25816 6550 1 14 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.321 -0.952 25816 6551 1 14 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.181 3.146 25816 6552 1 14 . 1 1 101 101 VAL CB C 101 30.974 30.974 33.410 -2.436 25816 6553 1 14 . 1 1 101 101 VAL H H 101 8.795 8.795 7.663 1.132 25816 6554 1 14 . 1 1 102 102 GLY N N 102 115.466 115.466 113.829 1.637 25816 6555 1 14 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.553 -0.873 25816 6556 1 14 . 1 1 102 102 GLY H H 102 8.393 8.393 8.551 -0.158 25816 6557 1 14 . 1 1 103 103 GLU N N 103 119.459 119.459 122.859 -3.400 25816 6558 1 14 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.471 0.484 25816 6559 1 14 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.781 -2.035 25816 6560 1 14 . 1 1 103 103 GLU CB C 103 32.201 32.201 32.034 0.167 25816 6561 1 14 . 1 1 103 103 GLU H H 103 8.386 8.386 8.232 0.154 25816 6562 1 14 . 1 1 104 104 LEU N N 104 123.881 123.881 116.939 6.942 25816 6563 1 14 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.689 0.011 25816 6564 1 14 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.745 -1.178 25816 6565 1 14 . 1 1 104 104 LEU CB C 104 44.058 44.058 41.522 2.536 25816 6566 1 14 . 1 1 104 104 LEU H H 104 8.735 8.735 7.985 0.750 25816 6567 1 15 . 1 1 2 2 LEU N N 2 122.611 122.611 122.606 0.005 25816 6568 1 15 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.602 -0.210 25816 6569 1 15 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.060 0.272 25816 6570 1 15 . 1 1 2 2 LEU CB C 2 41.317 41.317 41.597 -0.280 25816 6571 1 15 . 1 1 2 2 LEU H H 2 8.535 8.535 8.103 0.432 25816 6572 1 15 . 1 1 3 3 THR N N 3 112.475 112.475 114.895 -2.420 25816 6573 1 15 . 1 1 3 3 THR HA H 3 4.777 4.777 4.734 0.043 25816 6574 1 15 . 1 1 3 3 THR CA C 3 59.259 59.259 61.480 -2.220 25816 6575 1 15 . 1 1 3 3 THR CB C 3 70.185 70.185 71.700 -1.515 25816 6576 1 15 . 1 1 3 3 THR H H 3 7.903 7.903 7.624 0.279 25816 6577 1 15 . 1 1 4 4 ARG N N 4 120.183 120.183 121.677 -1.494 25816 6578 1 15 . 1 1 4 4 ARG H H 4 8.809 8.809 8.576 0.233 25816 6579 1 15 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.611 -0.239 25816 6580 1 15 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.457 2.560 25816 6581 1 15 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.477 -0.889 25816 6582 1 15 . 1 1 6 6 TYR N N 6 120.727 120.727 118.199 2.528 25816 6583 1 15 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.662 -0.028 25816 6584 1 15 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.962 -1.886 25816 6585 1 15 . 1 1 6 6 TYR CB C 6 41.054 41.054 40.457 0.597 25816 6586 1 15 . 1 1 6 6 TYR H H 6 7.530 7.530 8.385 -0.855 25816 6587 1 15 . 1 1 7 7 LEU N N 7 126.575 126.575 120.267 6.308 25816 6588 1 15 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.883 0.525 25816 6589 1 15 . 1 1 7 7 LEU H H 7 8.500 8.500 8.203 0.297 25816 6590 1 15 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.162 0.545 25816 6591 1 15 . 1 1 9 9 PHE N N 9 114.612 114.612 117.148 -2.536 25816 6592 1 15 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.052 0.306 25816 6593 1 15 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.422 -0.160 25816 6594 1 15 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.376 -0.922 25816 6595 1 15 . 1 1 9 9 PHE H H 9 7.102 7.102 7.533 -0.431 25816 6596 1 15 . 1 1 10 10 ARG N N 10 117.800 117.800 120.398 -2.598 25816 6597 1 15 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.675 -0.004 25816 6598 1 15 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.044 -1.645 25816 6599 1 15 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.587 1.228 25816 6600 1 15 . 1 1 10 10 ARG H H 10 8.206 8.206 8.543 -0.337 25816 6601 1 15 . 1 1 11 11 VAL N N 11 117.216 117.216 120.620 -3.404 25816 6602 1 15 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.900 0.267 25816 6603 1 15 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.975 -2.785 25816 6604 1 15 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.315 -1.440 25816 6605 1 15 . 1 1 11 11 VAL H H 11 8.601 8.601 8.451 0.150 25816 6606 1 15 . 1 1 12 12 ALA N N 12 123.025 123.025 130.678 -7.653 25816 6607 1 15 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.836 -0.256 25816 6608 1 15 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.814 -1.271 25816 6609 1 15 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.718 1.064 25816 6610 1 15 . 1 1 12 12 ALA H H 12 8.861 8.861 8.282 0.579 25816 6611 1 15 . 1 1 13 13 VAL N N 13 121.395 121.395 124.146 -2.751 25816 6612 1 15 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.215 0.336 25816 6613 1 15 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.439 -0.156 25816 6614 1 15 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.714 -1.020 25816 6615 1 15 . 1 1 13 13 VAL H H 13 8.585 8.585 8.646 -0.061 25816 6616 1 15 . 1 1 14 14 GLY N N 14 117.546 117.546 115.685 1.861 25816 6617 1 15 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.229 -1.845 25816 6618 1 15 . 1 1 14 14 GLY H H 14 8.789 8.789 7.864 0.925 25816 6619 1 15 . 1 1 15 15 ARG N N 15 120.075 120.075 121.409 -1.334 25816 6620 1 15 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.627 0.483 25816 6621 1 15 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.224 -1.331 25816 6622 1 15 . 1 1 15 15 ARG CB C 15 32.756 32.756 31.456 1.300 25816 6623 1 15 . 1 1 15 15 ARG H H 15 8.299 8.299 8.387 -0.088 25816 6624 1 15 . 1 1 16 16 ASP N N 16 123.872 123.872 122.659 1.213 25816 6625 1 15 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.782 -0.037 25816 6626 1 15 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.139 -1.768 25816 6627 1 15 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.596 -1.844 25816 6628 1 15 . 1 1 16 16 ASP H H 16 8.619 8.619 8.481 0.138 25816 6629 1 15 . 1 1 17 17 SER N N 17 114.309 114.309 114.562 -0.253 25816 6630 1 15 . 1 1 17 17 SER HA H 17 4.196 4.196 4.187 0.009 25816 6631 1 15 . 1 1 17 17 SER CA C 17 59.950 59.950 60.604 -0.654 25816 6632 1 15 . 1 1 17 17 SER CB C 17 61.825 61.825 63.120 -1.295 25816 6633 1 15 . 1 1 17 17 SER H H 17 8.624 8.624 8.694 -0.070 25816 6634 1 15 . 1 1 18 18 SER N N 18 117.903 117.903 114.568 3.335 25816 6635 1 15 . 1 1 18 18 SER HA H 18 4.597 4.597 4.221 0.376 25816 6636 1 15 . 1 1 18 18 SER CA C 18 57.732 57.732 59.925 -2.193 25816 6637 1 15 . 1 1 18 18 SER CB C 18 63.470 63.470 63.322 0.148 25816 6638 1 15 . 1 1 18 18 SER H H 18 8.385 8.385 8.148 0.237 25816 6639 1 15 . 1 1 19 19 GLY N N 19 109.883 109.883 110.047 -0.164 25816 6640 1 15 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.348 -1.177 25816 6641 1 15 . 1 1 19 19 GLY H H 19 8.214 8.214 8.007 0.207 25816 6642 1 15 . 1 1 20 20 CYS N N 20 122.167 122.167 119.330 2.837 25816 6643 1 15 . 1 1 20 20 CYS HA H 20 4.488 4.488 5.002 -0.514 25816 6644 1 15 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.239 -0.202 25816 6645 1 15 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.964 -3.279 25816 6646 1 15 . 1 1 20 20 CYS H H 20 8.286 8.286 8.208 0.078 25816 6647 1 15 . 1 1 21 21 THR N N 21 119.387 119.387 113.265 6.122 25816 6648 1 15 . 1 1 21 21 THR HA H 21 4.764 4.764 4.789 -0.025 25816 6649 1 15 . 1 1 21 21 THR CA C 21 61.953 61.953 62.298 -0.345 25816 6650 1 15 . 1 1 21 21 THR CB C 21 68.795 68.795 69.498 -0.703 25816 6651 1 15 . 1 1 21 21 THR H H 21 8.626 8.626 8.250 0.376 25816 6652 1 15 . 1 1 22 22 THR N N 22 116.611 116.611 117.052 -0.441 25816 6653 1 15 . 1 1 22 22 THR HA H 22 4.513 4.513 4.758 -0.245 25816 6654 1 15 . 1 1 22 22 THR CA C 22 58.918 58.918 59.666 -0.748 25816 6655 1 15 . 1 1 22 22 THR CB C 22 71.128 71.128 70.542 0.586 25816 6656 1 15 . 1 1 22 22 THR H H 22 8.343 8.343 7.840 0.503 25816 6657 1 15 . 1 1 23 23 LEU N N 23 122.893 122.893 124.127 -1.234 25816 6658 1 15 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.275 -0.343 25816 6659 1 15 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.554 -1.067 25816 6660 1 15 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.989 -2.724 25816 6661 1 15 . 1 1 23 23 LEU H H 23 9.157 9.157 8.545 0.612 25816 6662 1 15 . 1 1 24 24 SER N N 24 116.771 116.771 116.634 0.137 25816 6663 1 15 . 1 1 24 24 SER HA H 24 5.173 5.173 4.730 0.443 25816 6664 1 15 . 1 1 24 24 SER CA C 24 55.247 55.247 57.192 -1.945 25816 6665 1 15 . 1 1 24 24 SER CB C 24 64.841 64.841 64.344 0.498 25816 6666 1 15 . 1 1 24 24 SER H H 24 8.656 8.656 8.101 0.555 25816 6667 1 15 . 1 1 25 25 ILE N N 25 122.747 122.747 127.171 -4.424 25816 6668 1 15 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.735 -0.704 25816 6669 1 15 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.606 2.664 25816 6670 1 15 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.727 -2.078 25816 6671 1 15 . 1 1 25 25 ILE H H 25 9.023 9.023 8.989 0.034 25816 6672 1 15 . 1 1 26 26 GLN N N 26 129.779 129.779 126.817 2.962 25816 6673 1 15 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.361 0.068 25816 6674 1 15 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.164 -2.577 25816 6675 1 15 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.280 0.996 25816 6676 1 15 . 1 1 26 26 GLN H H 26 9.093 9.093 8.640 0.453 25816 6677 1 15 . 1 1 27 27 GLU N N 27 118.722 118.722 117.055 1.667 25816 6678 1 15 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.589 0.375 25816 6679 1 15 . 1 1 27 27 GLU CB C 27 33.022 33.022 34.109 -1.087 25816 6680 1 15 . 1 1 27 27 GLU H H 27 7.479 7.479 7.895 -0.416 25816 6681 1 15 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.384 0.059 25816 6682 1 15 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.734 0.421 25816 6683 1 15 . 1 1 28 28 VAL CB C 28 33.680 33.680 32.420 1.260 25816 6684 1 15 . 1 1 29 29 THR N N 29 124.459 124.459 118.920 5.539 25816 6685 1 15 . 1 1 29 29 THR HA H 29 4.183 4.183 4.475 -0.292 25816 6686 1 15 . 1 1 29 29 THR CA C 29 62.474 62.474 62.126 0.348 25816 6687 1 15 . 1 1 29 29 THR CB C 29 68.811 68.811 68.169 0.642 25816 6688 1 15 . 1 1 29 29 THR H H 29 8.009 8.009 8.503 -0.494 25816 6689 1 15 . 1 1 30 30 GLN N N 30 130.053 130.053 119.054 10.999 25816 6690 1 15 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.609 -1.087 25816 6691 1 15 . 1 1 30 30 GLN CA C 30 58.886 58.886 55.373 3.513 25816 6692 1 15 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.888 -0.583 25816 6693 1 15 . 1 1 30 30 GLN H H 30 9.321 9.321 8.100 1.221 25816 6694 1 15 . 1 1 31 31 THR N N 31 111.234 111.234 108.265 2.969 25816 6695 1 15 . 1 1 31 31 THR HA H 31 5.509 5.509 4.412 1.097 25816 6696 1 15 . 1 1 31 31 THR CA C 31 58.798 58.798 60.705 -1.907 25816 6697 1 15 . 1 1 31 31 THR CB C 31 71.374 71.374 68.864 2.510 25816 6698 1 15 . 1 1 31 31 THR H H 31 7.630 7.630 7.702 -0.072 25816 6699 1 15 . 1 1 32 32 TYR N N 32 121.998 121.998 120.486 1.512 25816 6700 1 15 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.973 -0.170 25816 6701 1 15 . 1 1 32 32 TYR CA C 32 54.799 54.799 56.474 -1.675 25816 6702 1 15 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.832 -2.114 25816 6703 1 15 . 1 1 32 32 TYR H H 32 9.359 9.359 7.528 1.831 25816 6704 1 15 . 1 1 33 33 THR N N 33 114.039 114.039 113.634 0.405 25816 6705 1 15 . 1 1 33 33 THR HA H 33 4.390 4.390 4.531 -0.141 25816 6706 1 15 . 1 1 33 33 THR CA C 33 59.896 59.896 61.132 -1.236 25816 6707 1 15 . 1 1 33 33 THR CB C 33 69.135 69.135 71.474 -2.339 25816 6708 1 15 . 1 1 33 33 THR H H 33 7.985 7.985 8.865 -0.880 25816 6709 1 15 . 1 1 34 34 GLY N N 34 113.445 113.445 108.460 4.985 25816 6710 1 15 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.231 -1.159 25816 6711 1 15 . 1 1 34 34 GLY H H 34 8.698 8.698 8.596 0.102 25816 6712 1 15 . 1 1 35 35 SER N N 35 113.837 113.837 116.096 -2.259 25816 6713 1 15 . 1 1 35 35 SER HA H 35 4.264 4.264 4.438 -0.174 25816 6714 1 15 . 1 1 35 35 SER CA C 35 57.651 57.651 59.597 -1.946 25816 6715 1 15 . 1 1 35 35 SER CB C 35 63.056 63.056 63.971 -0.915 25816 6716 1 15 . 1 1 35 35 SER H H 35 8.039 8.039 8.321 -0.282 25816 6717 1 15 . 1 1 36 36 ASN N N 36 119.749 119.749 119.120 0.629 25816 6718 1 15 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.826 -0.242 25816 6719 1 15 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.704 -0.923 25816 6720 1 15 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.381 -2.195 25816 6721 1 15 . 1 1 36 36 ASN H H 36 8.767 8.767 8.485 0.282 25816 6722 1 15 . 1 1 37 37 GLY N N 37 110.628 110.628 106.049 4.579 25816 6723 1 15 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.232 -0.647 25816 6724 1 15 . 1 1 37 37 GLY H H 37 8.496 8.496 8.106 0.390 25816 6725 1 15 . 1 1 38 38 GLY N N 38 108.654 108.654 109.526 -0.872 25816 6726 1 15 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.977 -0.878 25816 6727 1 15 . 1 1 38 38 GLY H H 38 7.955 7.955 7.960 -0.005 25816 6728 1 15 . 1 1 39 39 ALA N N 39 123.326 123.326 121.417 1.909 25816 6729 1 15 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.520 -0.309 25816 6730 1 15 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.851 -1.013 25816 6731 1 15 . 1 1 39 39 ALA CB C 39 18.729 18.729 19.573 -0.844 25816 6732 1 15 . 1 1 39 39 ALA H H 39 8.028 8.028 8.213 -0.185 25816 6733 1 15 . 1 1 40 40 ASP N N 40 119.573 119.573 117.483 2.090 25816 6734 1 15 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.296 0.091 25816 6735 1 15 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.263 -1.269 25816 6736 1 15 . 1 1 40 40 ASP CB C 40 39.627 39.627 39.323 0.304 25816 6737 1 15 . 1 1 40 40 ASP H H 40 8.261 8.261 8.199 0.062 25816 6738 1 15 . 1 1 41 41 LEU N N 41 123.899 123.899 122.739 1.160 25816 6739 1 15 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.438 0.004 25816 6740 1 15 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.471 -2.251 25816 6741 1 15 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.538 -2.529 25816 6742 1 15 . 1 1 41 41 LEU H H 41 8.663 8.663 8.117 0.546 25816 6743 1 15 . 1 1 42 42 MET N N 42 119.684 119.684 121.742 -2.058 25816 6744 1 15 . 1 1 42 42 MET HA H 42 4.730 4.730 4.249 0.481 25816 6745 1 15 . 1 1 42 42 MET CA C 42 54.695 54.695 57.048 -2.353 25816 6746 1 15 . 1 1 42 42 MET CB C 42 32.194 32.194 31.721 0.473 25816 6747 1 15 . 1 1 42 42 MET H H 42 8.553 8.553 8.342 0.211 25816 6748 1 15 . 1 1 43 43 GLY N N 43 113.052 113.052 111.618 1.434 25816 6749 1 15 . 1 1 43 43 GLY CA C 43 43.378 43.378 45.666 -2.288 25816 6750 1 15 . 1 1 43 43 GLY H H 43 8.618 8.618 8.364 0.254 25816 6751 1 15 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.574 0.146 25816 6752 1 15 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.213 -2.982 25816 6753 1 15 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.347 0.606 25816 6754 1 15 . 1 1 45 45 ALA N N 45 120.693 120.693 122.407 -1.714 25816 6755 1 15 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.197 -0.213 25816 6756 1 15 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.699 -0.895 25816 6757 1 15 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.158 -0.191 25816 6758 1 15 . 1 1 45 45 ALA H H 45 7.524 7.524 7.690 -0.166 25816 6759 1 15 . 1 1 46 46 PHE N N 46 122.306 122.306 118.603 3.703 25816 6760 1 15 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.202 -0.240 25816 6761 1 15 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.146 0.180 25816 6762 1 15 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.908 -0.288 25816 6763 1 15 . 1 1 46 46 PHE H H 46 8.603 8.603 8.279 0.324 25816 6764 1 15 . 1 1 47 47 ALA N N 47 123.253 123.253 121.032 2.221 25816 6765 1 15 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.168 -0.080 25816 6766 1 15 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.200 -0.249 25816 6767 1 15 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.553 -0.906 25816 6768 1 15 . 1 1 47 47 ALA H H 47 9.199 9.199 8.007 1.192 25816 6769 1 15 . 1 1 48 48 ALA N N 48 117.571 117.571 118.664 -1.093 25816 6770 1 15 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.273 0.030 25816 6771 1 15 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.567 0.120 25816 6772 1 15 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.834 -1.062 25816 6773 1 15 . 1 1 48 48 ALA H H 48 7.262 7.262 7.615 -0.353 25816 6774 1 15 . 1 1 49 49 GLY N N 49 103.229 103.229 107.489 -4.260 25816 6775 1 15 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.939 -1.320 25816 6776 1 15 . 1 1 49 49 GLY H H 49 7.461 7.461 7.715 -0.254 25816 6777 1 15 . 1 1 50 50 LEU N N 50 120.470 120.470 120.613 -0.143 25816 6778 1 15 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.077 -0.559 25816 6779 1 15 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.685 -1.273 25816 6780 1 15 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.161 -0.206 25816 6781 1 15 . 1 1 50 50 LEU H H 50 7.224 7.224 7.669 -0.445 25816 6782 1 15 . 1 1 51 51 ARG N N 51 119.645 119.645 123.911 -4.266 25816 6783 1 15 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.809 -1.318 25816 6784 1 15 . 1 1 51 51 ARG CB C 51 33.816 33.816 35.183 -1.367 25816 6785 1 15 . 1 1 51 51 ARG H H 51 8.678 8.678 8.457 0.221 25816 6786 1 15 . 1 1 52 52 VAL N N 52 119.995 119.995 117.660 2.335 25816 6787 1 15 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.914 -0.691 25816 6788 1 15 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.935 0.283 25816 6789 1 15 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.530 -1.381 25816 6790 1 15 . 1 1 52 52 VAL H H 52 8.482 8.482 8.224 0.258 25816 6791 1 15 . 1 1 53 53 GLY N N 53 117.052 117.052 114.194 2.858 25816 6792 1 15 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.817 -1.392 25816 6793 1 15 . 1 1 53 53 GLY H H 53 9.122 9.122 8.989 0.133 25816 6794 1 15 . 1 1 54 54 ASP N N 54 124.203 124.203 121.518 2.685 25816 6795 1 15 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.982 -0.149 25816 6796 1 15 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.361 1.373 25816 6797 1 15 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.920 -1.641 25816 6798 1 15 . 1 1 54 54 ASP H H 54 7.848 7.848 7.701 0.147 25816 6799 1 15 . 1 1 55 55 GLN N N 55 121.703 121.703 122.880 -1.177 25816 6800 1 15 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.770 0.097 25816 6801 1 15 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.305 -1.779 25816 6802 1 15 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.501 -0.469 25816 6803 1 15 . 1 1 55 55 GLN H H 55 9.158 9.158 8.398 0.760 25816 6804 1 15 . 1 1 56 56 LEU N N 56 124.733 124.733 127.383 -2.650 25816 6805 1 15 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.466 -0.279 25816 6806 1 15 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.600 0.595 25816 6807 1 15 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.150 -0.137 25816 6808 1 15 . 1 1 56 56 LEU H H 56 8.770 8.770 8.738 0.033 25816 6809 1 15 . 1 1 57 57 VAL N N 57 123.383 123.383 119.105 4.278 25816 6810 1 15 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.395 -0.087 25816 6811 1 15 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.024 1.119 25816 6812 1 15 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.007 -0.372 25816 6813 1 15 . 1 1 57 57 VAL H H 57 8.889 8.889 8.061 0.828 25816 6814 1 15 . 1 1 58 58 ARG N N 58 118.094 118.094 117.487 0.607 25816 6815 1 15 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.899 1.439 25816 6816 1 15 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.513 -3.301 25816 6817 1 15 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.551 5.062 25816 6818 1 15 . 1 1 58 58 ARG H H 58 8.531 8.531 7.623 0.908 25816 6819 1 15 . 1 1 59 59 PHE N N 59 123.332 123.332 115.866 7.466 25816 6820 1 15 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.687 0.248 25816 6821 1 15 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.607 0.249 25816 6822 1 15 . 1 1 59 59 PHE CB C 59 42.971 42.971 42.039 0.931 25816 6823 1 15 . 1 1 59 59 PHE H H 59 9.295 9.295 7.659 1.636 25816 6824 1 15 . 1 1 60 60 ALA N N 60 127.537 127.537 124.963 2.574 25816 6825 1 15 . 1 1 60 60 ALA HA H 60 3.587 3.587 4.104 -0.517 25816 6826 1 15 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.508 -1.134 25816 6827 1 15 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.838 -3.365 25816 6828 1 15 . 1 1 60 60 ALA H H 60 8.356 8.356 8.775 -0.419 25816 6829 1 15 . 1 1 61 61 GLY N N 61 103.058 103.058 105.515 -2.457 25816 6830 1 15 . 1 1 61 61 GLY CA C 61 43.787 43.787 43.876 -0.089 25816 6831 1 15 . 1 1 61 61 GLY H H 61 9.178 9.178 7.969 1.209 25816 6832 1 15 . 1 1 62 62 TYR N N 62 120.218 120.218 116.876 3.342 25816 6833 1 15 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.170 0.461 25816 6834 1 15 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.871 -1.294 25816 6835 1 15 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.273 3.619 25816 6836 1 15 . 1 1 62 62 TYR H H 62 7.888 7.888 7.211 0.677 25816 6837 1 15 . 1 1 63 63 THR N N 63 120.933 120.933 111.488 9.445 25816 6838 1 15 . 1 1 63 63 THR HA H 63 4.479 4.479 4.736 -0.257 25816 6839 1 15 . 1 1 63 63 THR CA C 63 62.851 62.851 61.280 1.571 25816 6840 1 15 . 1 1 63 63 THR CB C 63 67.848 67.848 70.898 -3.050 25816 6841 1 15 . 1 1 63 63 THR H H 63 9.108 9.108 7.845 1.263 25816 6842 1 15 . 1 1 64 64 VAL N N 64 121.039 121.039 122.206 -1.167 25816 6843 1 15 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.619 -0.020 25816 6844 1 15 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.900 -1.033 25816 6845 1 15 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.151 -2.147 25816 6846 1 15 . 1 1 64 64 VAL H H 64 7.782 7.782 8.547 -0.765 25816 6847 1 15 . 1 1 65 65 THR N N 65 114.373 114.373 119.105 -4.732 25816 6848 1 15 . 1 1 65 65 THR HA H 65 4.452 4.452 4.216 0.236 25816 6849 1 15 . 1 1 65 65 THR CA C 65 60.536 60.536 64.639 -4.103 25816 6850 1 15 . 1 1 65 65 THR CB C 65 69.037 69.037 69.512 -0.475 25816 6851 1 15 . 1 1 65 65 THR H H 65 9.053 9.053 8.738 0.315 25816 6852 1 15 . 1 1 66 66 GLU N N 66 115.766 115.766 117.564 -1.798 25816 6853 1 15 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.491 0.072 25816 6854 1 15 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.620 -2.233 25816 6855 1 15 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.257 0.308 25816 6856 1 15 . 1 1 66 66 GLU H H 66 7.345 7.345 7.835 -0.490 25816 6857 1 15 . 1 1 67 67 LEU N N 67 124.674 124.674 118.301 6.373 25816 6858 1 15 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.533 -0.599 25816 6859 1 15 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.893 -0.358 25816 6860 1 15 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.860 0.193 25816 6861 1 15 . 1 1 67 67 LEU H H 67 8.906 8.906 8.400 0.506 25816 6862 1 15 . 1 1 68 68 ALA N N 68 120.493 120.493 122.077 -1.584 25816 6863 1 15 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.948 0.188 25816 6864 1 15 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.018 -0.344 25816 6865 1 15 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.911 -1.390 25816 6866 1 15 . 1 1 68 68 ALA H H 68 9.022 9.022 8.523 0.499 25816 6867 1 15 . 1 1 69 69 ALA N N 69 119.695 119.695 121.773 -2.078 25816 6868 1 15 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.232 -0.070 25816 6869 1 15 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.692 -0.672 25816 6870 1 15 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.562 -0.899 25816 6871 1 15 . 1 1 69 69 ALA H H 69 7.258 7.258 7.470 -0.212 25816 6872 1 15 . 1 1 70 70 PHE N N 70 119.274 119.274 119.436 -0.162 25816 6873 1 15 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.133 -0.174 25816 6874 1 15 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.385 -0.425 25816 6875 1 15 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.484 -1.052 25816 6876 1 15 . 1 1 70 70 PHE H H 70 7.769 7.769 7.692 0.077 25816 6877 1 15 . 1 1 71 71 ASN N N 71 117.363 117.363 117.522 -0.159 25816 6878 1 15 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.494 -0.392 25816 6879 1 15 . 1 1 71 71 ASN CA C 71 54.697 54.697 55.914 -1.217 25816 6880 1 15 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.617 -2.544 25816 6881 1 15 . 1 1 71 71 ASN H H 71 8.801 8.801 8.682 0.119 25816 6882 1 15 . 1 1 72 72 THR N N 72 119.746 119.746 114.608 5.138 25816 6883 1 15 . 1 1 72 72 THR HA H 72 4.220 4.220 4.096 0.124 25816 6884 1 15 . 1 1 72 72 THR CA C 72 65.927 65.927 66.407 -0.480 25816 6885 1 15 . 1 1 72 72 THR CB C 72 67.600 67.600 68.745 -1.145 25816 6886 1 15 . 1 1 72 72 THR H H 72 8.109 8.109 8.160 -0.051 25816 6887 1 15 . 1 1 73 73 VAL N N 73 123.156 123.156 123.233 -0.077 25816 6888 1 15 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.512 -0.057 25816 6889 1 15 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.155 0.001 25816 6890 1 15 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.544 -0.208 25816 6891 1 15 . 1 1 73 73 VAL H H 73 7.744 7.744 8.070 -0.326 25816 6892 1 15 . 1 1 74 74 VAL N N 74 120.420 120.420 119.177 1.243 25816 6893 1 15 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.456 -0.090 25816 6894 1 15 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.385 0.213 25816 6895 1 15 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.171 -0.685 25816 6896 1 15 . 1 1 74 74 VAL H H 74 8.154 8.154 7.474 0.680 25816 6897 1 15 . 1 1 75 75 ALA N N 75 120.206 120.206 121.943 -1.737 25816 6898 1 15 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.084 -0.089 25816 6899 1 15 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.100 -1.101 25816 6900 1 15 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.385 -1.421 25816 6901 1 15 . 1 1 75 75 ALA H H 75 7.788 7.788 7.867 -0.079 25816 6902 1 15 . 1 1 76 76 ARG N N 76 114.701 114.701 117.117 -2.416 25816 6903 1 15 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.199 -0.114 25816 6904 1 15 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.446 -0.464 25816 6905 1 15 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.843 0.841 25816 6906 1 15 . 1 1 76 76 ARG H H 76 7.705 7.705 8.183 -0.478 25816 6907 1 15 . 1 1 77 77 HIS N N 77 112.695 112.695 116.611 -3.916 25816 6908 1 15 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.457 0.353 25816 6909 1 15 . 1 1 77 77 HIS CA C 77 56.161 56.161 56.805 -0.644 25816 6910 1 15 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.977 0.056 25816 6911 1 15 . 1 1 77 77 HIS H H 77 8.123 8.123 7.930 0.193 25816 6912 1 15 . 1 1 78 78 VAL N N 78 119.219 119.219 118.260 0.959 25816 6913 1 15 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.699 0.194 25816 6914 1 15 . 1 1 78 78 VAL CA C 78 63.565 63.565 62.779 0.786 25816 6915 1 15 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.225 -1.097 25816 6916 1 15 . 1 1 78 78 VAL H H 78 8.034 8.034 7.906 0.128 25816 6917 1 15 . 1 1 79 79 ARG N N 79 126.908 126.908 123.331 3.577 25816 6918 1 15 . 1 1 79 79 ARG CA C 79 51.361 51.361 53.910 -2.549 25816 6919 1 15 . 1 1 79 79 ARG CB C 79 30.191 30.191 31.934 -1.743 25816 6920 1 15 . 1 1 79 79 ARG H H 79 7.023 7.023 8.059 -1.036 25816 6921 1 15 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.382 -0.357 25816 6922 1 15 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.866 -1.296 25816 6923 1 15 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.092 -0.880 25816 6924 1 15 . 1 1 81 81 SER N N 81 115.039 115.039 111.486 3.553 25816 6925 1 15 . 1 1 81 81 SER HA H 81 4.047 4.047 4.513 -0.466 25816 6926 1 15 . 1 1 81 81 SER CA C 81 60.713 60.713 58.116 2.597 25816 6927 1 15 . 1 1 81 81 SER H H 81 8.210 8.210 7.747 0.463 25816 6928 1 15 . 1 1 82 82 ALA N N 82 123.546 123.546 124.640 -1.094 25816 6929 1 15 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.432 -0.086 25816 6930 1 15 . 1 1 82 82 ALA CA C 82 51.506 51.506 52.145 -0.639 25816 6931 1 15 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.739 -0.644 25816 6932 1 15 . 1 1 82 82 ALA H H 82 7.770 7.770 7.414 0.356 25816 6933 1 15 . 1 1 83 83 SER N N 83 116.753 116.753 117.937 -1.184 25816 6934 1 15 . 1 1 83 83 SER HA H 83 5.129 5.129 4.811 0.318 25816 6935 1 15 . 1 1 83 83 SER CA C 83 56.582 56.582 57.416 -0.834 25816 6936 1 15 . 1 1 83 83 SER CB C 83 62.554 62.554 63.017 -0.463 25816 6937 1 15 . 1 1 83 83 SER H H 83 8.524 8.524 8.488 0.036 25816 6938 1 15 . 1 1 84 84 ILE N N 84 126.985 126.985 125.772 1.213 25816 6939 1 15 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.532 -2.746 25816 6940 1 15 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.467 -2.043 25816 6941 1 15 . 1 1 84 84 ILE H H 84 9.599 9.599 7.975 1.624 25816 6942 1 15 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.458 0.487 25816 6943 1 15 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.476 -0.922 25816 6944 1 15 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.197 0.230 25816 6945 1 15 . 1 1 86 86 VAL N N 86 123.811 123.811 126.320 -2.509 25816 6946 1 15 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.254 0.595 25816 6947 1 15 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.194 -1.421 25816 6948 1 15 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.622 0.022 25816 6949 1 15 . 1 1 86 86 VAL H H 86 9.033 9.033 7.901 1.132 25816 6950 1 15 . 1 1 87 87 VAL N N 87 127.839 127.839 126.707 1.132 25816 6951 1 15 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.254 0.718 25816 6952 1 15 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.025 -1.332 25816 6953 1 15 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.870 0.548 25816 6954 1 15 . 1 1 87 87 VAL H H 87 9.132 9.132 8.729 0.403 25816 6955 1 15 . 1 1 88 88 PHE N N 88 127.301 127.301 128.091 -0.790 25816 6956 1 15 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.699 -0.081 25816 6957 1 15 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.139 -0.928 25816 6958 1 15 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.955 -1.953 25816 6959 1 15 . 1 1 88 88 PHE H H 88 9.248 9.248 8.114 1.134 25816 6960 1 15 . 1 1 89 89 SER N N 89 113.734 113.734 117.725 -3.991 25816 6961 1 15 . 1 1 89 89 SER HA H 89 5.336 5.336 4.618 0.718 25816 6962 1 15 . 1 1 89 89 SER CA C 89 54.452 54.452 56.792 -2.340 25816 6963 1 15 . 1 1 89 89 SER CB C 89 64.474 64.474 66.205 -1.731 25816 6964 1 15 . 1 1 89 89 SER H H 89 9.689 9.689 8.095 1.594 25816 6965 1 15 . 1 1 90 90 ARG N N 90 128.114 128.114 124.192 3.922 25816 6966 1 15 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.561 0.186 25816 6967 1 15 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.919 -0.797 25816 6968 1 15 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.514 0.822 25816 6969 1 15 . 1 1 90 90 ARG H H 90 8.561 8.561 7.842 0.719 25816 6970 1 15 . 1 1 91 91 ASP N N 91 129.790 129.790 124.884 4.906 25816 6971 1 15 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.482 -0.213 25816 6972 1 15 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.255 -0.754 25816 6973 1 15 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.755 0.326 25816 6974 1 15 . 1 1 91 91 ASP H H 91 9.461 9.461 8.440 1.021 25816 6975 1 15 . 1 1 92 92 GLY N N 92 102.404 102.404 104.422 -2.018 25816 6976 1 15 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.942 -0.637 25816 6977 1 15 . 1 1 92 92 GLY H H 92 8.391 8.391 8.629 -0.238 25816 6978 1 15 . 1 1 93 93 VAL N N 93 123.090 123.090 123.446 -0.356 25816 6979 1 15 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.751 0.251 25816 6980 1 15 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.260 -1.994 25816 6981 1 15 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.220 -0.402 25816 6982 1 15 . 1 1 93 93 VAL H H 93 7.682 7.682 7.022 0.660 25816 6983 1 15 . 1 1 94 94 VAL N N 94 128.414 128.414 127.548 0.866 25816 6984 1 15 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.038 0.096 25816 6985 1 15 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.191 1.149 25816 6986 1 15 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.618 -2.502 25816 6987 1 15 . 1 1 94 94 VAL H H 94 8.400 8.400 8.179 0.221 25816 6988 1 15 . 1 1 95 95 MET N N 95 129.196 129.196 129.080 0.116 25816 6989 1 15 . 1 1 95 95 MET HA H 95 4.352 4.352 4.916 -0.564 25816 6990 1 15 . 1 1 95 95 MET CA C 95 53.674 53.674 54.068 -0.394 25816 6991 1 15 . 1 1 95 95 MET CB C 95 36.104 36.104 37.570 -1.466 25816 6992 1 15 . 1 1 95 95 MET H H 95 9.100 9.100 8.237 0.863 25816 6993 1 15 . 1 1 96 96 SER N N 96 111.540 111.540 115.944 -4.404 25816 6994 1 15 . 1 1 96 96 SER HA H 96 5.469 5.469 4.949 0.520 25816 6995 1 15 . 1 1 96 96 SER CA C 96 55.830 55.830 57.343 -1.514 25816 6996 1 15 . 1 1 96 96 SER CB C 96 65.471 65.471 65.152 0.319 25816 6997 1 15 . 1 1 96 96 SER H H 96 8.004 8.004 8.430 -0.426 25816 6998 1 15 . 1 1 97 97 ALA N N 97 124.079 124.079 128.394 -4.315 25816 6999 1 15 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.792 -0.004 25816 7000 1 15 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.006 -1.607 25816 7001 1 15 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.022 0.522 25816 7002 1 15 . 1 1 97 97 ALA H H 97 9.145 9.145 8.278 0.867 25816 7003 1 15 . 1 1 98 98 THR N N 98 117.342 117.342 118.720 -1.378 25816 7004 1 15 . 1 1 98 98 THR HA H 98 4.823 4.823 4.503 0.320 25816 7005 1 15 . 1 1 98 98 THR CA C 98 61.053 61.053 62.161 -1.108 25816 7006 1 15 . 1 1 98 98 THR CB C 98 69.913 69.913 69.304 0.609 25816 7007 1 15 . 1 1 98 98 THR H H 98 8.754 8.754 8.368 0.386 25816 7008 1 15 . 1 1 99 99 ILE N N 99 125.689 125.689 129.194 -3.505 25816 7009 1 15 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.228 -0.117 25816 7010 1 15 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.993 -1.624 25816 7011 1 15 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.527 1.164 25816 7012 1 15 . 1 1 99 99 ILE H H 99 8.868 8.868 8.164 0.704 25816 7013 1 15 . 1 1 100 100 VAL N N 100 129.871 129.871 124.946 4.925 25816 7014 1 15 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.761 -0.095 25816 7015 1 15 . 1 1 100 100 VAL CA C 100 60.867 60.867 59.826 1.041 25816 7016 1 15 . 1 1 100 100 VAL CB C 100 29.610 29.610 30.955 -1.345 25816 7017 1 15 . 1 1 100 100 VAL H H 100 8.818 8.818 8.498 0.320 25816 7018 1 15 . 1 1 101 101 VAL N N 101 128.299 128.299 127.950 0.349 25816 7019 1 15 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.164 -0.795 25816 7020 1 15 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.230 2.097 25816 7021 1 15 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.101 -1.127 25816 7022 1 15 . 1 1 101 101 VAL H H 101 8.795 8.795 7.689 1.106 25816 7023 1 15 . 1 1 102 102 GLY N N 102 115.466 115.466 115.367 0.099 25816 7024 1 15 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.473 -0.793 25816 7025 1 15 . 1 1 102 102 GLY H H 102 8.393 8.393 8.467 -0.074 25816 7026 1 15 . 1 1 103 103 GLU N N 103 119.459 119.459 125.034 -5.575 25816 7027 1 15 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.716 0.239 25816 7028 1 15 . 1 1 103 103 GLU CA C 103 54.746 54.746 54.744 0.002 25816 7029 1 15 . 1 1 103 103 GLU CB C 103 32.201 32.201 29.253 2.948 25816 7030 1 15 . 1 1 103 103 GLU H H 103 8.386 8.386 8.380 0.006 25816 7031 1 15 . 1 1 104 104 LEU N N 104 123.881 123.881 120.401 3.480 25816 7032 1 15 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.528 0.172 25816 7033 1 15 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.120 -1.553 25816 7034 1 15 . 1 1 104 104 LEU CB C 104 44.058 44.058 43.195 0.863 25816 7035 1 15 . 1 1 104 104 LEU H H 104 8.735 8.735 7.876 0.859 25816 7036 1 16 . 1 1 2 2 LEU N N 2 122.611 122.611 124.162 -1.551 25816 7037 1 16 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.644 -0.252 25816 7038 1 16 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.499 -0.167 25816 7039 1 16 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.152 -0.835 25816 7040 1 16 . 1 1 2 2 LEU H H 2 8.535 8.535 8.527 0.008 25816 7041 1 16 . 1 1 3 3 THR N N 3 112.475 112.475 114.915 -2.440 25816 7042 1 16 . 1 1 3 3 THR HA H 3 4.777 4.777 4.608 0.169 25816 7043 1 16 . 1 1 3 3 THR CA C 3 59.259 59.259 61.342 -2.083 25816 7044 1 16 . 1 1 3 3 THR CB C 3 70.185 70.185 70.108 0.077 25816 7045 1 16 . 1 1 3 3 THR H H 3 7.903 7.903 7.902 0.001 25816 7046 1 16 . 1 1 4 4 ARG N N 4 120.183 120.183 118.067 2.116 25816 7047 1 16 . 1 1 4 4 ARG H H 4 8.809 8.809 8.608 0.201 25816 7048 1 16 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.545 -0.173 25816 7049 1 16 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.320 1.697 25816 7050 1 16 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.666 0.922 25816 7051 1 16 . 1 1 6 6 TYR N N 6 120.727 120.727 122.868 -2.141 25816 7052 1 16 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.197 0.437 25816 7053 1 16 . 1 1 6 6 TYR CA C 6 56.076 56.076 55.555 0.521 25816 7054 1 16 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.330 1.724 25816 7055 1 16 . 1 1 6 6 TYR H H 6 7.530 7.530 7.865 -0.335 25816 7056 1 16 . 1 1 7 7 LEU N N 7 126.575 126.575 122.306 4.269 25816 7057 1 16 . 1 1 7 7 LEU CB C 7 42.407 42.407 43.153 -0.746 25816 7058 1 16 . 1 1 7 7 LEU H H 7 8.500 8.500 8.250 0.250 25816 7059 1 16 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.199 0.508 25816 7060 1 16 . 1 1 9 9 PHE N N 9 114.612 114.612 124.883 -10.271 25816 7061 1 16 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.810 0.548 25816 7062 1 16 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.298 -0.036 25816 7063 1 16 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.145 -0.691 25816 7064 1 16 . 1 1 9 9 PHE H H 9 7.102 7.102 7.006 0.096 25816 7065 1 16 . 1 1 10 10 ARG N N 10 117.800 117.800 120.330 -2.530 25816 7066 1 16 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.816 -0.145 25816 7067 1 16 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.252 -1.853 25816 7068 1 16 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.194 1.621 25816 7069 1 16 . 1 1 10 10 ARG H H 10 8.206 8.206 8.612 -0.406 25816 7070 1 16 . 1 1 11 11 VAL N N 11 117.216 117.216 117.260 -0.044 25816 7071 1 16 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.191 -0.024 25816 7072 1 16 . 1 1 11 11 VAL CA C 11 58.190 58.190 61.024 -2.834 25816 7073 1 16 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.200 -1.325 25816 7074 1 16 . 1 1 11 11 VAL H H 11 8.601 8.601 8.482 0.119 25816 7075 1 16 . 1 1 12 12 ALA N N 12 123.025 123.025 129.989 -6.964 25816 7076 1 16 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.823 -0.243 25816 7077 1 16 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.775 -1.232 25816 7078 1 16 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.182 1.600 25816 7079 1 16 . 1 1 12 12 ALA H H 12 8.861 8.861 8.170 0.691 25816 7080 1 16 . 1 1 13 13 VAL N N 13 121.395 121.395 124.183 -2.788 25816 7081 1 16 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.094 0.457 25816 7082 1 16 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.205 -0.922 25816 7083 1 16 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.041 -0.347 25816 7084 1 16 . 1 1 13 13 VAL H H 13 8.585 8.585 8.762 -0.177 25816 7085 1 16 . 1 1 14 14 GLY N N 14 117.546 117.546 116.694 0.852 25816 7086 1 16 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.281 -1.897 25816 7087 1 16 . 1 1 14 14 GLY H H 14 8.789 8.789 8.161 0.628 25816 7088 1 16 . 1 1 15 15 ARG N N 15 120.075 120.075 120.525 -0.450 25816 7089 1 16 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.732 0.378 25816 7090 1 16 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.492 -0.599 25816 7091 1 16 . 1 1 15 15 ARG CB C 15 32.756 32.756 31.920 0.836 25816 7092 1 16 . 1 1 15 15 ARG H H 15 8.299 8.299 8.376 -0.077 25816 7093 1 16 . 1 1 16 16 ASP N N 16 123.872 123.872 120.667 3.205 25816 7094 1 16 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.730 0.015 25816 7095 1 16 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.686 -1.315 25816 7096 1 16 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.835 -1.083 25816 7097 1 16 . 1 1 16 16 ASP H H 16 8.619 8.619 8.498 0.121 25816 7098 1 16 . 1 1 17 17 SER N N 17 114.309 114.309 113.897 0.412 25816 7099 1 16 . 1 1 17 17 SER HA H 17 4.196 4.196 4.211 -0.015 25816 7100 1 16 . 1 1 17 17 SER CA C 17 59.950 59.950 60.680 -0.730 25816 7101 1 16 . 1 1 17 17 SER CB C 17 61.825 61.825 63.500 -1.675 25816 7102 1 16 . 1 1 17 17 SER H H 17 8.624 8.624 8.552 0.072 25816 7103 1 16 . 1 1 18 18 SER N N 18 117.903 117.903 116.353 1.550 25816 7104 1 16 . 1 1 18 18 SER HA H 18 4.597 4.597 4.406 0.191 25816 7105 1 16 . 1 1 18 18 SER CA C 18 57.732 57.732 58.661 -0.929 25816 7106 1 16 . 1 1 18 18 SER CB C 18 63.470 63.470 64.513 -1.043 25816 7107 1 16 . 1 1 18 18 SER H H 18 8.385 8.385 7.731 0.654 25816 7108 1 16 . 1 1 19 19 GLY N N 19 109.883 109.883 109.612 0.271 25816 7109 1 16 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.776 -0.605 25816 7110 1 16 . 1 1 19 19 GLY H H 19 8.214 8.214 8.402 -0.188 25816 7111 1 16 . 1 1 20 20 CYS N N 20 122.167 122.167 118.841 3.326 25816 7112 1 16 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.598 -0.110 25816 7113 1 16 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.123 -0.086 25816 7114 1 16 . 1 1 20 20 CYS CB C 20 26.685 26.685 28.758 -2.073 25816 7115 1 16 . 1 1 20 20 CYS H H 20 8.286 8.286 8.288 -0.002 25816 7116 1 16 . 1 1 21 21 THR N N 21 119.387 119.387 114.679 4.708 25816 7117 1 16 . 1 1 21 21 THR HA H 21 4.764 4.764 4.140 0.624 25816 7118 1 16 . 1 1 21 21 THR CA C 21 61.953 61.953 63.411 -1.458 25816 7119 1 16 . 1 1 21 21 THR CB C 21 68.795 68.795 67.194 1.601 25816 7120 1 16 . 1 1 21 21 THR H H 21 8.626 8.626 7.762 0.864 25816 7121 1 16 . 1 1 22 22 THR N N 22 116.611 116.611 116.250 0.361 25816 7122 1 16 . 1 1 22 22 THR HA H 22 4.513 4.513 4.709 -0.196 25816 7123 1 16 . 1 1 22 22 THR CA C 22 58.918 58.918 60.188 -1.270 25816 7124 1 16 . 1 1 22 22 THR CB C 22 71.128 71.128 70.837 0.291 25816 7125 1 16 . 1 1 22 22 THR H H 22 8.343 8.343 7.715 0.628 25816 7126 1 16 . 1 1 23 23 LEU N N 23 122.893 122.893 124.727 -1.834 25816 7127 1 16 . 1 1 23 23 LEU HA H 23 4.932 4.932 4.951 -0.019 25816 7128 1 16 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.775 -1.288 25816 7129 1 16 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.996 -1.731 25816 7130 1 16 . 1 1 23 23 LEU H H 23 9.157 9.157 8.725 0.432 25816 7131 1 16 . 1 1 24 24 SER N N 24 116.771 116.771 115.114 1.657 25816 7132 1 16 . 1 1 24 24 SER HA H 24 5.173 5.173 4.724 0.449 25816 7133 1 16 . 1 1 24 24 SER CA C 24 55.247 55.247 56.764 -1.518 25816 7134 1 16 . 1 1 24 24 SER CB C 24 64.841 64.841 64.426 0.415 25816 7135 1 16 . 1 1 24 24 SER H H 24 8.656 8.656 8.064 0.592 25816 7136 1 16 . 1 1 25 25 ILE N N 25 122.747 122.747 127.412 -4.665 25816 7137 1 16 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.712 -0.681 25816 7138 1 16 . 1 1 25 25 ILE CA C 25 61.270 61.270 58.739 2.531 25816 7139 1 16 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.328 -1.679 25816 7140 1 16 . 1 1 25 25 ILE H H 25 9.023 9.023 8.389 0.634 25816 7141 1 16 . 1 1 26 26 GLN N N 26 129.779 129.779 126.567 3.212 25816 7142 1 16 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.242 0.187 25816 7143 1 16 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.740 -3.153 25816 7144 1 16 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.419 0.857 25816 7145 1 16 . 1 1 26 26 GLN H H 26 9.093 9.093 8.352 0.741 25816 7146 1 16 . 1 1 27 27 GLU N N 27 118.722 118.722 116.928 1.794 25816 7147 1 16 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.431 0.533 25816 7148 1 16 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.879 0.143 25816 7149 1 16 . 1 1 27 27 GLU H H 27 7.479 7.479 7.782 -0.303 25816 7150 1 16 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.477 -0.034 25816 7151 1 16 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.578 0.577 25816 7152 1 16 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.709 1.972 25816 7153 1 16 . 1 1 29 29 THR N N 29 124.459 124.459 118.881 5.578 25816 7154 1 16 . 1 1 29 29 THR HA H 29 4.183 4.183 4.289 -0.106 25816 7155 1 16 . 1 1 29 29 THR CA C 29 62.474 62.474 62.537 -0.063 25816 7156 1 16 . 1 1 29 29 THR CB C 29 68.811 68.811 68.521 0.290 25816 7157 1 16 . 1 1 29 29 THR H H 29 8.009 8.009 8.758 -0.749 25816 7158 1 16 . 1 1 30 30 GLN N N 30 130.053 130.053 118.428 11.625 25816 7159 1 16 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.682 -1.160 25816 7160 1 16 . 1 1 30 30 GLN CA C 30 58.886 58.886 55.782 3.104 25816 7161 1 16 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.263 -0.958 25816 7162 1 16 . 1 1 30 30 GLN H H 30 9.321 9.321 8.295 1.026 25816 7163 1 16 . 1 1 31 31 THR N N 31 111.234 111.234 111.050 0.184 25816 7164 1 16 . 1 1 31 31 THR HA H 31 5.509 5.509 4.590 0.919 25816 7165 1 16 . 1 1 31 31 THR CA C 31 58.798 58.798 61.067 -2.269 25816 7166 1 16 . 1 1 31 31 THR CB C 31 71.374 71.374 69.111 2.263 25816 7167 1 16 . 1 1 31 31 THR H H 31 7.630 7.630 7.674 -0.044 25816 7168 1 16 . 1 1 32 32 TYR N N 32 121.998 121.998 119.188 2.810 25816 7169 1 16 . 1 1 32 32 TYR HA H 32 4.803 4.803 5.004 -0.201 25816 7170 1 16 . 1 1 32 32 TYR CA C 32 54.799 54.799 55.840 -1.041 25816 7171 1 16 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.133 -1.415 25816 7172 1 16 . 1 1 32 32 TYR H H 32 9.359 9.359 7.747 1.612 25816 7173 1 16 . 1 1 33 33 THR N N 33 114.039 114.039 112.848 1.191 25816 7174 1 16 . 1 1 33 33 THR HA H 33 4.390 4.390 4.163 0.227 25816 7175 1 16 . 1 1 33 33 THR CA C 33 59.896 59.896 60.857 -0.961 25816 7176 1 16 . 1 1 33 33 THR CB C 33 69.135 69.135 71.439 -2.304 25816 7177 1 16 . 1 1 33 33 THR H H 33 7.985 7.985 8.131 -0.146 25816 7178 1 16 . 1 1 34 34 GLY N N 34 113.445 113.445 108.287 5.158 25816 7179 1 16 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.058 -0.986 25816 7180 1 16 . 1 1 34 34 GLY H H 34 8.698 8.698 8.366 0.332 25816 7181 1 16 . 1 1 35 35 SER N N 35 113.837 113.837 116.265 -2.428 25816 7182 1 16 . 1 1 35 35 SER HA H 35 4.264 4.264 4.502 -0.238 25816 7183 1 16 . 1 1 35 35 SER CA C 35 57.651 57.651 58.577 -0.926 25816 7184 1 16 . 1 1 35 35 SER CB C 35 63.056 63.056 64.795 -1.739 25816 7185 1 16 . 1 1 35 35 SER H H 35 8.039 8.039 8.572 -0.533 25816 7186 1 16 . 1 1 36 36 ASN N N 36 119.749 119.749 117.950 1.799 25816 7187 1 16 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.866 -0.282 25816 7188 1 16 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.617 -0.836 25816 7189 1 16 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.731 -2.546 25816 7190 1 16 . 1 1 36 36 ASN H H 36 8.767 8.767 8.429 0.338 25816 7191 1 16 . 1 1 37 37 GLY N N 37 110.628 110.628 107.910 2.718 25816 7192 1 16 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.787 -1.202 25816 7193 1 16 . 1 1 37 37 GLY H H 37 8.496 8.496 7.929 0.567 25816 7194 1 16 . 1 1 38 38 GLY N N 38 108.654 108.654 107.941 0.713 25816 7195 1 16 . 1 1 38 38 GLY CA C 38 44.100 44.100 43.844 0.256 25816 7196 1 16 . 1 1 38 38 GLY H H 38 7.955 7.955 7.665 0.290 25816 7197 1 16 . 1 1 39 39 ALA N N 39 123.326 123.326 120.930 2.396 25816 7198 1 16 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.692 -0.481 25816 7199 1 16 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.284 -0.446 25816 7200 1 16 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.765 -3.036 25816 7201 1 16 . 1 1 39 39 ALA H H 39 8.028 8.028 7.718 0.310 25816 7202 1 16 . 1 1 40 40 ASP N N 40 119.573 119.573 119.367 0.206 25816 7203 1 16 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.422 -0.035 25816 7204 1 16 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.259 -1.265 25816 7205 1 16 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.508 -0.881 25816 7206 1 16 . 1 1 40 40 ASP H H 40 8.261 8.261 8.499 -0.238 25816 7207 1 16 . 1 1 41 41 LEU N N 41 123.899 123.899 125.908 -2.009 25816 7208 1 16 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.412 0.030 25816 7209 1 16 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.646 -2.425 25816 7210 1 16 . 1 1 41 41 LEU CB C 41 43.009 43.009 43.069 -0.060 25816 7211 1 16 . 1 1 41 41 LEU H H 41 8.663 8.663 8.314 0.349 25816 7212 1 16 . 1 1 42 42 MET N N 42 119.684 119.684 118.083 1.601 25816 7213 1 16 . 1 1 42 42 MET HA H 42 4.730 4.730 4.127 0.603 25816 7214 1 16 . 1 1 42 42 MET CA C 42 54.695 54.695 56.699 -2.003 25816 7215 1 16 . 1 1 42 42 MET CB C 42 32.194 32.194 30.996 1.198 25816 7216 1 16 . 1 1 42 42 MET H H 42 8.553 8.553 7.776 0.777 25816 7217 1 16 . 1 1 43 43 GLY N N 43 113.052 113.052 110.116 2.936 25816 7218 1 16 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.368 -2.990 25816 7219 1 16 . 1 1 43 43 GLY H H 43 8.618 8.618 8.521 0.097 25816 7220 1 16 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.823 -0.103 25816 7221 1 16 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.198 -2.967 25816 7222 1 16 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.535 0.418 25816 7223 1 16 . 1 1 45 45 ALA N N 45 120.693 120.693 123.269 -2.576 25816 7224 1 16 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.137 -0.153 25816 7225 1 16 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.939 -1.135 25816 7226 1 16 . 1 1 45 45 ALA CB C 45 17.967 17.967 17.927 0.040 25816 7227 1 16 . 1 1 45 45 ALA H H 45 7.524 7.524 7.738 -0.214 25816 7228 1 16 . 1 1 46 46 PHE N N 46 122.306 122.306 119.057 3.249 25816 7229 1 16 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.124 -0.162 25816 7230 1 16 . 1 1 46 46 PHE CA C 46 60.326 60.326 61.313 -0.987 25816 7231 1 16 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.736 -0.116 25816 7232 1 16 . 1 1 46 46 PHE H H 46 8.603 8.603 8.429 0.174 25816 7233 1 16 . 1 1 47 47 ALA N N 47 123.253 123.253 120.845 2.408 25816 7234 1 16 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.138 -0.050 25816 7235 1 16 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.443 -0.492 25816 7236 1 16 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.259 -0.612 25816 7237 1 16 . 1 1 47 47 ALA H H 47 9.199 9.199 7.709 1.490 25816 7238 1 16 . 1 1 48 48 ALA N N 48 117.571 117.571 119.302 -1.731 25816 7239 1 16 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.352 -0.049 25816 7240 1 16 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.718 -0.030 25816 7241 1 16 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.960 -1.188 25816 7242 1 16 . 1 1 48 48 ALA H H 48 7.262 7.262 7.569 -0.307 25816 7243 1 16 . 1 1 49 49 GLY N N 49 103.229 103.229 107.882 -4.653 25816 7244 1 16 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.953 -1.334 25816 7245 1 16 . 1 1 49 49 GLY H H 49 7.461 7.461 7.837 -0.376 25816 7246 1 16 . 1 1 50 50 LEU N N 50 120.470 120.470 121.257 -0.787 25816 7247 1 16 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.274 -0.756 25816 7248 1 16 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.011 -0.599 25816 7249 1 16 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.643 -0.688 25816 7250 1 16 . 1 1 50 50 LEU H H 50 7.224 7.224 7.504 -0.280 25816 7251 1 16 . 1 1 51 51 ARG N N 51 119.645 119.645 123.886 -4.241 25816 7252 1 16 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.027 -1.536 25816 7253 1 16 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.136 -0.320 25816 7254 1 16 . 1 1 51 51 ARG H H 51 8.678 8.678 7.942 0.736 25816 7255 1 16 . 1 1 52 52 VAL N N 52 119.995 119.995 118.597 1.398 25816 7256 1 16 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.779 -0.556 25816 7257 1 16 . 1 1 52 52 VAL CA C 52 64.218 64.218 62.020 2.198 25816 7258 1 16 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.668 -0.519 25816 7259 1 16 . 1 1 52 52 VAL H H 52 8.482 8.482 8.124 0.358 25816 7260 1 16 . 1 1 53 53 GLY N N 53 117.052 117.052 115.291 1.761 25816 7261 1 16 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.883 -1.458 25816 7262 1 16 . 1 1 53 53 GLY H H 53 9.122 9.122 8.926 0.196 25816 7263 1 16 . 1 1 54 54 ASP N N 54 124.203 124.203 121.853 2.350 25816 7264 1 16 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.918 -0.085 25816 7265 1 16 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.556 1.178 25816 7266 1 16 . 1 1 54 54 ASP CB C 54 40.279 40.279 41.424 -1.145 25816 7267 1 16 . 1 1 54 54 ASP H H 54 7.848 7.848 7.653 0.195 25816 7268 1 16 . 1 1 55 55 GLN N N 55 121.703 121.703 124.209 -2.506 25816 7269 1 16 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.585 0.282 25816 7270 1 16 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.307 -1.781 25816 7271 1 16 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.507 -0.475 25816 7272 1 16 . 1 1 55 55 GLN H H 55 9.158 9.158 8.287 0.871 25816 7273 1 16 . 1 1 56 56 LEU N N 56 124.733 124.733 127.097 -2.364 25816 7274 1 16 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.309 -0.122 25816 7275 1 16 . 1 1 56 56 LEU CA C 56 55.195 55.195 55.311 -0.116 25816 7276 1 16 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.926 0.087 25816 7277 1 16 . 1 1 56 56 LEU H H 56 8.770 8.770 8.789 -0.019 25816 7278 1 16 . 1 1 57 57 VAL N N 57 123.383 123.383 123.913 -0.530 25816 7279 1 16 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.055 0.253 25816 7280 1 16 . 1 1 57 57 VAL CA C 57 63.143 63.143 63.938 -0.795 25816 7281 1 16 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.381 0.254 25816 7282 1 16 . 1 1 57 57 VAL H H 57 8.889 8.889 8.126 0.763 25816 7283 1 16 . 1 1 58 58 ARG N N 58 118.094 118.094 117.063 1.031 25816 7284 1 16 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.012 1.326 25816 7285 1 16 . 1 1 58 58 ARG CA C 58 54.212 54.212 58.783 -4.572 25816 7286 1 16 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.531 5.082 25816 7287 1 16 . 1 1 58 58 ARG H H 58 8.531 8.531 8.386 0.145 25816 7288 1 16 . 1 1 59 59 PHE N N 59 123.332 123.332 119.747 3.585 25816 7289 1 16 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.749 0.186 25816 7290 1 16 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.837 1.019 25816 7291 1 16 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.587 2.384 25816 7292 1 16 . 1 1 59 59 PHE H H 59 9.295 9.295 8.321 0.974 25816 7293 1 16 . 1 1 60 60 ALA N N 60 127.537 127.537 126.857 0.680 25816 7294 1 16 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.767 -0.180 25816 7295 1 16 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.207 -0.833 25816 7296 1 16 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.817 -2.344 25816 7297 1 16 . 1 1 60 60 ALA H H 60 8.356 8.356 7.780 0.576 25816 7298 1 16 . 1 1 61 61 GLY N N 61 103.058 103.058 102.841 0.217 25816 7299 1 16 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.613 -0.826 25816 7300 1 16 . 1 1 61 61 GLY H H 61 9.178 9.178 7.285 1.893 25816 7301 1 16 . 1 1 62 62 TYR N N 62 120.218 120.218 116.271 3.947 25816 7302 1 16 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.070 0.560 25816 7303 1 16 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.859 -2.282 25816 7304 1 16 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.090 3.802 25816 7305 1 16 . 1 1 62 62 TYR H H 62 7.888 7.888 7.131 0.757 25816 7306 1 16 . 1 1 63 63 THR N N 63 120.933 120.933 111.442 9.491 25816 7307 1 16 . 1 1 63 63 THR HA H 63 4.479 4.479 5.011 -0.532 25816 7308 1 16 . 1 1 63 63 THR CA C 63 62.851 62.851 60.706 2.146 25816 7309 1 16 . 1 1 63 63 THR CB C 63 67.848 67.848 71.578 -3.730 25816 7310 1 16 . 1 1 63 63 THR H H 63 9.108 9.108 7.547 1.561 25816 7311 1 16 . 1 1 64 64 VAL N N 64 121.039 121.039 125.896 -4.857 25816 7312 1 16 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.541 0.058 25816 7313 1 16 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.432 -1.565 25816 7314 1 16 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.368 -1.364 25816 7315 1 16 . 1 1 64 64 VAL H H 64 7.782 7.782 8.506 -0.724 25816 7316 1 16 . 1 1 65 65 THR N N 65 114.373 114.373 119.455 -5.082 25816 7317 1 16 . 1 1 65 65 THR HA H 65 4.452 4.452 4.393 0.059 25816 7318 1 16 . 1 1 65 65 THR CA C 65 60.536 60.536 63.344 -2.808 25816 7319 1 16 . 1 1 65 65 THR CB C 65 69.037 69.037 69.213 -0.176 25816 7320 1 16 . 1 1 65 65 THR H H 65 9.053 9.053 8.212 0.841 25816 7321 1 16 . 1 1 66 66 GLU N N 66 115.766 115.766 118.155 -2.389 25816 7322 1 16 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.538 0.025 25816 7323 1 16 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.861 -2.474 25816 7324 1 16 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.625 0.940 25816 7325 1 16 . 1 1 66 66 GLU H H 66 7.345 7.345 7.687 -0.342 25816 7326 1 16 . 1 1 67 67 LEU N N 67 124.674 124.674 115.951 8.723 25816 7327 1 16 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.562 -0.628 25816 7328 1 16 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.266 0.269 25816 7329 1 16 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.505 -0.452 25816 7330 1 16 . 1 1 67 67 LEU H H 67 8.906 8.906 8.642 0.264 25816 7331 1 16 . 1 1 68 68 ALA N N 68 120.493 120.493 121.556 -1.063 25816 7332 1 16 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.906 0.230 25816 7333 1 16 . 1 1 68 68 ALA CA C 68 54.674 54.674 54.856 -0.182 25816 7334 1 16 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.865 -1.344 25816 7335 1 16 . 1 1 68 68 ALA H H 68 9.022 9.022 7.965 1.057 25816 7336 1 16 . 1 1 69 69 ALA N N 69 119.695 119.695 120.893 -1.198 25816 7337 1 16 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.147 0.015 25816 7338 1 16 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.618 -0.598 25816 7339 1 16 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.611 -0.948 25816 7340 1 16 . 1 1 69 69 ALA H H 69 7.258 7.258 7.637 -0.379 25816 7341 1 16 . 1 1 70 70 PHE N N 70 119.274 119.274 119.561 -0.287 25816 7342 1 16 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.177 -0.218 25816 7343 1 16 . 1 1 70 70 PHE CA C 70 60.960 60.960 61.374 -0.414 25816 7344 1 16 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.330 -0.898 25816 7345 1 16 . 1 1 70 70 PHE H H 70 7.769 7.769 7.460 0.309 25816 7346 1 16 . 1 1 71 71 ASN N N 71 117.363 117.363 118.336 -0.973 25816 7347 1 16 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.465 -0.363 25816 7348 1 16 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.069 -1.372 25816 7349 1 16 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.358 -2.285 25816 7350 1 16 . 1 1 71 71 ASN H H 71 8.801 8.801 8.302 0.499 25816 7351 1 16 . 1 1 72 72 THR N N 72 119.746 119.746 115.207 4.539 25816 7352 1 16 . 1 1 72 72 THR HA H 72 4.220 4.220 3.971 0.249 25816 7353 1 16 . 1 1 72 72 THR CA C 72 65.927 65.927 66.141 -0.214 25816 7354 1 16 . 1 1 72 72 THR CB C 72 67.600 67.600 68.822 -1.222 25816 7355 1 16 . 1 1 72 72 THR H H 72 8.109 8.109 7.584 0.525 25816 7356 1 16 . 1 1 73 73 VAL N N 73 123.156 123.156 123.063 0.093 25816 7357 1 16 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.392 0.063 25816 7358 1 16 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.602 -0.446 25816 7359 1 16 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.947 -0.611 25816 7360 1 16 . 1 1 73 73 VAL H H 73 7.744 7.744 7.815 -0.071 25816 7361 1 16 . 1 1 74 74 VAL N N 74 120.420 120.420 118.955 1.465 25816 7362 1 16 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.547 -0.181 25816 7363 1 16 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.295 -0.697 25816 7364 1 16 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.557 -1.072 25816 7365 1 16 . 1 1 74 74 VAL H H 74 8.154 8.154 7.871 0.283 25816 7366 1 16 . 1 1 75 75 ALA N N 75 120.206 120.206 121.628 -1.422 25816 7367 1 16 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.072 -0.077 25816 7368 1 16 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.570 -0.571 25816 7369 1 16 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.429 -1.465 25816 7370 1 16 . 1 1 75 75 ALA H H 75 7.788 7.788 7.814 -0.026 25816 7371 1 16 . 1 1 76 76 ARG N N 76 114.701 114.701 117.087 -2.386 25816 7372 1 16 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.041 0.044 25816 7373 1 16 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.416 -0.434 25816 7374 1 16 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.042 0.642 25816 7375 1 16 . 1 1 76 76 ARG H H 76 7.705 7.705 7.927 -0.222 25816 7376 1 16 . 1 1 77 77 HIS N N 77 112.695 112.695 118.687 -5.992 25816 7377 1 16 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.614 0.196 25816 7378 1 16 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.992 1.169 25816 7379 1 16 . 1 1 77 77 HIS CB C 77 31.033 31.033 28.606 2.427 25816 7380 1 16 . 1 1 77 77 HIS H H 77 8.123 8.123 7.768 0.355 25816 7381 1 16 . 1 1 78 78 VAL N N 78 119.219 119.219 121.254 -2.035 25816 7382 1 16 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.207 -0.314 25816 7383 1 16 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.403 2.162 25816 7384 1 16 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.822 -2.694 25816 7385 1 16 . 1 1 78 78 VAL H H 78 8.034 8.034 7.881 0.153 25816 7386 1 16 . 1 1 79 79 ARG N N 79 126.908 126.908 122.975 3.933 25816 7387 1 16 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.608 -3.247 25816 7388 1 16 . 1 1 79 79 ARG CB C 79 30.191 30.191 31.307 -1.116 25816 7389 1 16 . 1 1 79 79 ARG H H 79 7.023 7.023 7.906 -0.883 25816 7390 1 16 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.348 -0.323 25816 7391 1 16 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.380 -0.810 25816 7392 1 16 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.074 -0.862 25816 7393 1 16 . 1 1 81 81 SER N N 81 115.039 115.039 112.094 2.945 25816 7394 1 16 . 1 1 81 81 SER HA H 81 4.047 4.047 4.509 -0.462 25816 7395 1 16 . 1 1 81 81 SER CA C 81 60.713 60.713 58.268 2.445 25816 7396 1 16 . 1 1 81 81 SER H H 81 8.210 8.210 7.669 0.541 25816 7397 1 16 . 1 1 82 82 ALA N N 82 123.546 123.546 124.832 -1.286 25816 7398 1 16 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.677 -0.331 25816 7399 1 16 . 1 1 82 82 ALA CA C 82 51.506 51.506 50.822 0.684 25816 7400 1 16 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.514 -1.419 25816 7401 1 16 . 1 1 82 82 ALA H H 82 7.770 7.770 7.677 0.093 25816 7402 1 16 . 1 1 83 83 SER N N 83 116.753 116.753 119.604 -2.851 25816 7403 1 16 . 1 1 83 83 SER HA H 83 5.129 5.129 4.748 0.381 25816 7404 1 16 . 1 1 83 83 SER CA C 83 56.582 56.582 57.962 -1.381 25816 7405 1 16 . 1 1 83 83 SER CB C 83 62.554 62.554 63.028 -0.474 25816 7406 1 16 . 1 1 83 83 SER H H 83 8.524 8.524 8.634 -0.110 25816 7407 1 16 . 1 1 84 84 ILE N N 84 126.985 126.985 127.326 -0.341 25816 7408 1 16 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.977 -3.192 25816 7409 1 16 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.099 -0.675 25816 7410 1 16 . 1 1 84 84 ILE H H 84 9.599 9.599 7.860 1.739 25816 7411 1 16 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.483 0.462 25816 7412 1 16 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.663 -1.109 25816 7413 1 16 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.036 0.391 25816 7414 1 16 . 1 1 86 86 VAL N N 86 123.811 123.811 126.208 -2.397 25816 7415 1 16 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.414 0.435 25816 7416 1 16 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.177 -1.404 25816 7417 1 16 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.282 0.362 25816 7418 1 16 . 1 1 86 86 VAL H H 86 9.033 9.033 7.876 1.157 25816 7419 1 16 . 1 1 87 87 VAL N N 87 127.839 127.839 122.897 4.942 25816 7420 1 16 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.478 0.494 25816 7421 1 16 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.422 -0.729 25816 7422 1 16 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.000 0.418 25816 7423 1 16 . 1 1 87 87 VAL H H 87 9.132 9.132 8.437 0.695 25816 7424 1 16 . 1 1 88 88 PHE N N 88 127.301 127.301 124.604 2.697 25816 7425 1 16 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.795 -0.177 25816 7426 1 16 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.336 -0.125 25816 7427 1 16 . 1 1 88 88 PHE CB C 88 41.002 41.002 41.884 -0.882 25816 7428 1 16 . 1 1 88 88 PHE H H 88 9.248 9.248 8.031 1.217 25816 7429 1 16 . 1 1 89 89 SER N N 89 113.734 113.734 114.728 -0.994 25816 7430 1 16 . 1 1 89 89 SER HA H 89 5.336 5.336 5.021 0.315 25816 7431 1 16 . 1 1 89 89 SER CA C 89 54.452 54.452 57.191 -2.739 25816 7432 1 16 . 1 1 89 89 SER CB C 89 64.474 64.474 66.478 -2.004 25816 7433 1 16 . 1 1 89 89 SER H H 89 9.689 9.689 8.224 1.465 25816 7434 1 16 . 1 1 90 90 ARG N N 90 128.114 128.114 124.294 3.820 25816 7435 1 16 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.523 0.224 25816 7436 1 16 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.453 -1.331 25816 7437 1 16 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.907 1.429 25816 7438 1 16 . 1 1 90 90 ARG H H 90 8.561 8.561 8.242 0.319 25816 7439 1 16 . 1 1 91 91 ASP N N 91 129.790 129.790 125.114 4.676 25816 7440 1 16 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.375 -0.106 25816 7441 1 16 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.328 -0.827 25816 7442 1 16 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.664 0.417 25816 7443 1 16 . 1 1 91 91 ASP H H 91 9.461 9.461 9.576 -0.115 25816 7444 1 16 . 1 1 92 92 GLY N N 92 102.404 102.404 103.655 -1.251 25816 7445 1 16 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.030 -0.725 25816 7446 1 16 . 1 1 92 92 GLY H H 92 8.391 8.391 8.456 -0.065 25816 7447 1 16 . 1 1 93 93 VAL N N 93 123.090 123.090 121.624 1.466 25816 7448 1 16 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.817 0.185 25816 7449 1 16 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.034 -1.768 25816 7450 1 16 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.533 -0.715 25816 7451 1 16 . 1 1 93 93 VAL H H 93 7.682 7.682 7.052 0.630 25816 7452 1 16 . 1 1 94 94 VAL N N 94 128.414 128.414 126.627 1.787 25816 7453 1 16 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.185 -0.051 25816 7454 1 16 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.995 1.345 25816 7455 1 16 . 1 1 94 94 VAL CB C 94 30.116 30.116 33.041 -2.925 25816 7456 1 16 . 1 1 94 94 VAL H H 94 8.400 8.400 8.071 0.329 25816 7457 1 16 . 1 1 95 95 MET N N 95 129.196 129.196 129.152 0.044 25816 7458 1 16 . 1 1 95 95 MET HA H 95 4.352 4.352 4.791 -0.439 25816 7459 1 16 . 1 1 95 95 MET CA C 95 53.674 53.674 53.389 0.285 25816 7460 1 16 . 1 1 95 95 MET CB C 95 36.104 36.104 36.899 -0.795 25816 7461 1 16 . 1 1 95 95 MET H H 95 9.100 9.100 8.047 1.053 25816 7462 1 16 . 1 1 96 96 SER N N 96 111.540 111.540 116.358 -4.818 25816 7463 1 16 . 1 1 96 96 SER HA H 96 5.469 5.469 4.812 0.657 25816 7464 1 16 . 1 1 96 96 SER CA C 96 55.830 55.830 57.166 -1.336 25816 7465 1 16 . 1 1 96 96 SER CB C 96 65.471 65.471 64.580 0.891 25816 7466 1 16 . 1 1 96 96 SER H H 96 8.004 8.004 8.337 -0.333 25816 7467 1 16 . 1 1 97 97 ALA N N 97 124.079 124.079 128.498 -4.419 25816 7468 1 16 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.776 0.012 25816 7469 1 16 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.829 -1.430 25816 7470 1 16 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.129 0.415 25816 7471 1 16 . 1 1 97 97 ALA H H 97 9.145 9.145 8.322 0.823 25816 7472 1 16 . 1 1 98 98 THR N N 98 117.342 117.342 117.635 -0.293 25816 7473 1 16 . 1 1 98 98 THR HA H 98 4.823 4.823 4.625 0.198 25816 7474 1 16 . 1 1 98 98 THR CA C 98 61.053 61.053 61.197 -0.144 25816 7475 1 16 . 1 1 98 98 THR CB C 98 69.913 69.913 69.672 0.241 25816 7476 1 16 . 1 1 98 98 THR H H 98 8.754 8.754 8.427 0.327 25816 7477 1 16 . 1 1 99 99 ILE N N 99 125.689 125.689 126.465 -0.776 25816 7478 1 16 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.557 -0.446 25816 7479 1 16 . 1 1 99 99 ILE CA C 99 59.369 59.369 59.804 -0.435 25816 7480 1 16 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.689 0.002 25816 7481 1 16 . 1 1 99 99 ILE H H 99 8.868 8.868 7.969 0.899 25816 7482 1 16 . 1 1 100 100 VAL N N 100 129.871 129.871 124.011 5.860 25816 7483 1 16 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.757 -0.091 25816 7484 1 16 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.060 0.807 25816 7485 1 16 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.271 -1.661 25816 7486 1 16 . 1 1 100 100 VAL H H 100 8.818 8.818 8.527 0.291 25816 7487 1 16 . 1 1 101 101 VAL N N 101 128.299 128.299 126.798 1.501 25816 7488 1 16 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.175 -0.806 25816 7489 1 16 . 1 1 101 101 VAL CA C 101 64.327 64.327 61.939 2.388 25816 7490 1 16 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.520 -0.546 25816 7491 1 16 . 1 1 101 101 VAL H H 101 8.795 8.795 7.800 0.995 25816 7492 1 16 . 1 1 102 102 GLY N N 102 115.466 115.466 115.817 -0.351 25816 7493 1 16 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.397 -0.717 25816 7494 1 16 . 1 1 102 102 GLY H H 102 8.393 8.393 8.624 -0.231 25816 7495 1 16 . 1 1 103 103 GLU N N 103 119.459 119.459 128.031 -8.572 25816 7496 1 16 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.362 0.593 25816 7497 1 16 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.966 -2.220 25816 7498 1 16 . 1 1 103 103 GLU CB C 103 32.201 32.201 28.169 4.032 25816 7499 1 16 . 1 1 103 103 GLU H H 103 8.386 8.386 8.315 0.071 25816 7500 1 16 . 1 1 104 104 LEU N N 104 123.881 123.881 120.281 3.600 25816 7501 1 16 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.581 0.119 25816 7502 1 16 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.883 -3.317 25816 7503 1 16 . 1 1 104 104 LEU CB C 104 44.058 44.058 44.664 -0.606 25816 7504 1 16 . 1 1 104 104 LEU H H 104 8.735 8.735 8.359 0.376 25816 7505 1 17 . 1 1 2 2 LEU N N 2 122.611 122.611 122.289 0.322 25816 7506 1 17 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.657 -0.265 25816 7507 1 17 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.532 -1.200 25816 7508 1 17 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.294 -0.977 25816 7509 1 17 . 1 1 2 2 LEU H H 2 8.535 8.535 7.837 0.698 25816 7510 1 17 . 1 1 3 3 THR N N 3 112.475 112.475 116.620 -4.145 25816 7511 1 17 . 1 1 3 3 THR HA H 3 4.777 4.777 4.656 0.121 25816 7512 1 17 . 1 1 3 3 THR CA C 3 59.259 59.259 61.696 -2.437 25816 7513 1 17 . 1 1 3 3 THR CB C 3 70.185 70.185 71.014 -0.829 25816 7514 1 17 . 1 1 3 3 THR H H 3 7.903 7.903 8.154 -0.251 25816 7515 1 17 . 1 1 4 4 ARG N N 4 120.183 120.183 120.521 -0.338 25816 7516 1 17 . 1 1 4 4 ARG H H 4 8.809 8.809 8.272 0.537 25816 7517 1 17 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.256 0.116 25816 7518 1 17 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.398 2.619 25816 7519 1 17 . 1 1 5 5 PRO CB C 5 31.588 31.588 31.761 -0.173 25816 7520 1 17 . 1 1 6 6 TYR N N 6 120.727 120.727 116.580 4.147 25816 7521 1 17 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.706 -0.072 25816 7522 1 17 . 1 1 6 6 TYR CA C 6 56.076 56.076 56.389 -0.313 25816 7523 1 17 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.072 1.982 25816 7524 1 17 . 1 1 6 6 TYR H H 6 7.530 7.530 7.504 0.026 25816 7525 1 17 . 1 1 7 7 LEU N N 7 126.575 126.575 120.391 6.184 25816 7526 1 17 . 1 1 7 7 LEU CB C 7 42.407 42.407 41.707 0.700 25816 7527 1 17 . 1 1 7 7 LEU H H 7 8.500 8.500 8.445 0.055 25816 7528 1 17 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.199 0.508 25816 7529 1 17 . 1 1 9 9 PHE N N 9 114.612 114.612 114.258 0.354 25816 7530 1 17 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.954 0.404 25816 7531 1 17 . 1 1 9 9 PHE CA C 9 55.262 55.262 53.863 1.399 25816 7532 1 17 . 1 1 9 9 PHE CB C 9 39.454 39.454 39.988 -0.534 25816 7533 1 17 . 1 1 9 9 PHE H H 9 7.102 7.102 7.487 -0.385 25816 7534 1 17 . 1 1 10 10 ARG N N 10 117.800 117.800 119.664 -1.864 25816 7535 1 17 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.607 0.064 25816 7536 1 17 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.777 -1.378 25816 7537 1 17 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.197 0.618 25816 7538 1 17 . 1 1 10 10 ARG H H 10 8.206 8.206 8.783 -0.577 25816 7539 1 17 . 1 1 11 11 VAL N N 11 117.216 117.216 114.092 3.124 25816 7540 1 17 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.323 -0.156 25816 7541 1 17 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.384 -2.194 25816 7542 1 17 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.743 -1.868 25816 7543 1 17 . 1 1 11 11 VAL H H 11 8.601 8.601 8.220 0.381 25816 7544 1 17 . 1 1 12 12 ALA N N 12 123.025 123.025 128.637 -5.612 25816 7545 1 17 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.820 -0.240 25816 7546 1 17 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.682 -1.139 25816 7547 1 17 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.172 1.610 25816 7548 1 17 . 1 1 12 12 ALA H H 12 8.861 8.861 8.299 0.562 25816 7549 1 17 . 1 1 13 13 VAL N N 13 121.395 121.395 123.973 -2.578 25816 7550 1 17 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.054 0.497 25816 7551 1 17 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.122 -0.839 25816 7552 1 17 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.358 -0.665 25816 7553 1 17 . 1 1 13 13 VAL H H 13 8.585 8.585 8.721 -0.136 25816 7554 1 17 . 1 1 14 14 GLY N N 14 117.546 117.546 116.307 1.239 25816 7555 1 17 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.319 -1.935 25816 7556 1 17 . 1 1 14 14 GLY H H 14 8.789 8.789 8.017 0.772 25816 7557 1 17 . 1 1 15 15 ARG N N 15 120.075 120.075 120.817 -0.742 25816 7558 1 17 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.669 0.441 25816 7559 1 17 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.701 -0.808 25816 7560 1 17 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.171 0.585 25816 7561 1 17 . 1 1 15 15 ARG H H 15 8.299 8.299 8.404 -0.105 25816 7562 1 17 . 1 1 16 16 ASP N N 16 123.872 123.872 124.371 -0.499 25816 7563 1 17 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.668 0.077 25816 7564 1 17 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.586 -1.215 25816 7565 1 17 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.208 -0.456 25816 7566 1 17 . 1 1 16 16 ASP H H 16 8.619 8.619 8.418 0.201 25816 7567 1 17 . 1 1 17 17 SER N N 17 114.309 114.309 113.626 0.683 25816 7568 1 17 . 1 1 17 17 SER HA H 17 4.196 4.196 4.200 -0.004 25816 7569 1 17 . 1 1 17 17 SER CA C 17 59.950 59.950 60.502 -0.552 25816 7570 1 17 . 1 1 17 17 SER CB C 17 61.825 61.825 63.098 -1.273 25816 7571 1 17 . 1 1 17 17 SER H H 17 8.624 8.624 8.288 0.336 25816 7572 1 17 . 1 1 18 18 SER N N 18 117.903 117.903 114.781 3.122 25816 7573 1 17 . 1 1 18 18 SER HA H 18 4.597 4.597 4.354 0.243 25816 7574 1 17 . 1 1 18 18 SER CA C 18 57.732 57.732 58.730 -0.998 25816 7575 1 17 . 1 1 18 18 SER CB C 18 63.470 63.470 63.522 -0.052 25816 7576 1 17 . 1 1 18 18 SER H H 18 8.385 8.385 7.726 0.659 25816 7577 1 17 . 1 1 19 19 GLY N N 19 109.883 109.883 109.874 0.009 25816 7578 1 17 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.595 -1.424 25816 7579 1 17 . 1 1 19 19 GLY H H 19 8.214 8.214 8.001 0.213 25816 7580 1 17 . 1 1 20 20 CYS N N 20 122.167 122.167 119.712 2.455 25816 7581 1 17 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.575 -0.087 25816 7582 1 17 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.644 0.393 25816 7583 1 17 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.549 -2.864 25816 7584 1 17 . 1 1 20 20 CYS H H 20 8.286 8.286 8.304 -0.018 25816 7585 1 17 . 1 1 21 21 THR N N 21 119.387 119.387 114.673 4.714 25816 7586 1 17 . 1 1 21 21 THR HA H 21 4.764 4.764 4.150 0.614 25816 7587 1 17 . 1 1 21 21 THR CA C 21 61.953 61.953 63.243 -1.290 25816 7588 1 17 . 1 1 21 21 THR CB C 21 68.795 68.795 67.875 0.920 25816 7589 1 17 . 1 1 21 21 THR H H 21 8.626 8.626 7.997 0.629 25816 7590 1 17 . 1 1 22 22 THR N N 22 116.611 116.611 116.664 -0.053 25816 7591 1 17 . 1 1 22 22 THR HA H 22 4.513 4.513 4.755 -0.242 25816 7592 1 17 . 1 1 22 22 THR CA C 22 58.918 58.918 60.091 -1.173 25816 7593 1 17 . 1 1 22 22 THR CB C 22 71.128 71.128 71.296 -0.168 25816 7594 1 17 . 1 1 22 22 THR H H 22 8.343 8.343 8.400 -0.057 25816 7595 1 17 . 1 1 23 23 LEU N N 23 122.893 122.893 124.267 -1.374 25816 7596 1 17 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.263 -0.331 25816 7597 1 17 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.511 -1.024 25816 7598 1 17 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.799 -2.534 25816 7599 1 17 . 1 1 23 23 LEU H H 23 9.157 9.157 8.702 0.455 25816 7600 1 17 . 1 1 24 24 SER N N 24 116.771 116.771 115.761 1.010 25816 7601 1 17 . 1 1 24 24 SER HA H 24 5.173 5.173 4.773 0.400 25816 7602 1 17 . 1 1 24 24 SER CA C 24 55.247 55.247 56.886 -1.639 25816 7603 1 17 . 1 1 24 24 SER CB C 24 64.841 64.841 64.405 0.436 25816 7604 1 17 . 1 1 24 24 SER H H 24 8.656 8.656 8.031 0.625 25816 7605 1 17 . 1 1 25 25 ILE N N 25 122.747 122.747 127.502 -4.755 25816 7606 1 17 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.739 -0.708 25816 7607 1 17 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.387 1.883 25816 7608 1 17 . 1 1 25 25 ILE CB C 25 34.649 34.649 36.400 -1.751 25816 7609 1 17 . 1 1 25 25 ILE H H 25 9.023 9.023 8.887 0.136 25816 7610 1 17 . 1 1 26 26 GLN N N 26 129.779 129.779 126.339 3.440 25816 7611 1 17 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.433 -0.004 25816 7612 1 17 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.962 -2.375 25816 7613 1 17 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.335 0.941 25816 7614 1 17 . 1 1 26 26 GLN H H 26 9.093 9.093 8.619 0.474 25816 7615 1 17 . 1 1 27 27 GLU N N 27 118.722 118.722 117.701 1.021 25816 7616 1 17 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.211 -0.247 25816 7617 1 17 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.889 -0.867 25816 7618 1 17 . 1 1 27 27 GLU H H 27 7.479 7.479 7.958 -0.479 25816 7619 1 17 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.570 -0.127 25816 7620 1 17 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.298 -0.143 25816 7621 1 17 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.562 2.118 25816 7622 1 17 . 1 1 29 29 THR N N 29 124.459 124.459 117.348 7.111 25816 7623 1 17 . 1 1 29 29 THR HA H 29 4.183 4.183 4.149 0.034 25816 7624 1 17 . 1 1 29 29 THR CA C 29 62.474 62.474 63.790 -1.316 25816 7625 1 17 . 1 1 29 29 THR CB C 29 68.811 68.811 68.647 0.164 25816 7626 1 17 . 1 1 29 29 THR H H 29 8.009 8.009 8.371 -0.362 25816 7627 1 17 . 1 1 30 30 GLN N N 30 130.053 130.053 117.545 12.508 25816 7628 1 17 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.197 -0.675 25816 7629 1 17 . 1 1 30 30 GLN CA C 30 58.886 58.886 58.243 0.643 25816 7630 1 17 . 1 1 30 30 GLN CB C 30 27.305 27.305 28.399 -1.095 25816 7631 1 17 . 1 1 30 30 GLN H H 30 9.321 9.321 8.207 1.114 25816 7632 1 17 . 1 1 31 31 THR N N 31 111.234 111.234 114.769 -3.535 25816 7633 1 17 . 1 1 31 31 THR HA H 31 5.509 5.509 4.306 1.203 25816 7634 1 17 . 1 1 31 31 THR CA C 31 58.798 58.798 62.788 -3.990 25816 7635 1 17 . 1 1 31 31 THR CB C 31 71.374 71.374 67.473 3.901 25816 7636 1 17 . 1 1 31 31 THR H H 31 7.630 7.630 7.404 0.226 25816 7637 1 17 . 1 1 32 32 TYR N N 32 121.998 121.998 125.359 -3.361 25816 7638 1 17 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.560 0.243 25816 7639 1 17 . 1 1 32 32 TYR CA C 32 54.799 54.799 58.398 -3.599 25816 7640 1 17 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.034 -2.316 25816 7641 1 17 . 1 1 32 32 TYR H H 32 9.359 9.359 8.184 1.175 25816 7642 1 17 . 1 1 33 33 THR N N 33 114.039 114.039 112.789 1.250 25816 7643 1 17 . 1 1 33 33 THR HA H 33 4.390 4.390 4.489 -0.099 25816 7644 1 17 . 1 1 33 33 THR CA C 33 59.896 59.896 61.489 -1.593 25816 7645 1 17 . 1 1 33 33 THR CB C 33 69.135 69.135 71.073 -1.938 25816 7646 1 17 . 1 1 33 33 THR H H 33 7.985 7.985 8.310 -0.325 25816 7647 1 17 . 1 1 34 34 GLY N N 34 113.445 113.445 107.701 5.744 25816 7648 1 17 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.484 -1.412 25816 7649 1 17 . 1 1 34 34 GLY H H 34 8.698 8.698 8.779 -0.081 25816 7650 1 17 . 1 1 35 35 SER N N 35 113.837 113.837 115.349 -1.512 25816 7651 1 17 . 1 1 35 35 SER HA H 35 4.264 4.264 4.223 0.041 25816 7652 1 17 . 1 1 35 35 SER CA C 35 57.651 57.651 60.390 -2.739 25816 7653 1 17 . 1 1 35 35 SER CB C 35 63.056 63.056 63.070 -0.014 25816 7654 1 17 . 1 1 35 35 SER H H 35 8.039 8.039 8.659 -0.620 25816 7655 1 17 . 1 1 36 36 ASN N N 36 119.749 119.749 114.353 5.396 25816 7656 1 17 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.756 -0.172 25816 7657 1 17 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.022 -1.241 25816 7658 1 17 . 1 1 36 36 ASN CB C 36 37.186 37.186 41.218 -4.032 25816 7659 1 17 . 1 1 36 36 ASN H H 36 8.767 8.767 7.956 0.811 25816 7660 1 17 . 1 1 37 37 GLY N N 37 110.628 110.628 108.856 1.772 25816 7661 1 17 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.478 0.107 25816 7662 1 17 . 1 1 37 37 GLY H H 37 8.496 8.496 8.142 0.354 25816 7663 1 17 . 1 1 38 38 GLY N N 38 108.654 108.654 110.752 -2.098 25816 7664 1 17 . 1 1 38 38 GLY CA C 38 44.100 44.100 44.936 -0.836 25816 7665 1 17 . 1 1 38 38 GLY H H 38 7.955 7.955 7.884 0.071 25816 7666 1 17 . 1 1 39 39 ALA N N 39 123.326 123.326 122.033 1.293 25816 7667 1 17 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.637 -0.426 25816 7668 1 17 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.697 -0.859 25816 7669 1 17 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.520 -2.791 25816 7670 1 17 . 1 1 39 39 ALA H H 39 8.028 8.028 7.986 0.042 25816 7671 1 17 . 1 1 40 40 ASP N N 40 119.573 119.573 119.747 -0.174 25816 7672 1 17 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.367 0.020 25816 7673 1 17 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.283 -1.289 25816 7674 1 17 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.074 -0.447 25816 7675 1 17 . 1 1 40 40 ASP H H 40 8.261 8.261 8.441 -0.180 25816 7676 1 17 . 1 1 41 41 LEU N N 41 123.899 123.899 122.082 1.817 25816 7677 1 17 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.468 -0.026 25816 7678 1 17 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.236 -2.015 25816 7679 1 17 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.494 -2.485 25816 7680 1 17 . 1 1 41 41 LEU H H 41 8.663 8.663 7.569 1.094 25816 7681 1 17 . 1 1 42 42 MET N N 42 119.684 119.684 118.493 1.191 25816 7682 1 17 . 1 1 42 42 MET HA H 42 4.730 4.730 4.537 0.193 25816 7683 1 17 . 1 1 42 42 MET CA C 42 54.695 54.695 56.351 -1.656 25816 7684 1 17 . 1 1 42 42 MET CB C 42 32.194 32.194 32.275 -0.081 25816 7685 1 17 . 1 1 42 42 MET H H 42 8.553 8.553 8.381 0.172 25816 7686 1 17 . 1 1 43 43 GLY N N 43 113.052 113.052 111.332 1.720 25816 7687 1 17 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.316 -2.938 25816 7688 1 17 . 1 1 43 43 GLY H H 43 8.618 8.618 8.598 0.020 25816 7689 1 17 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.578 0.142 25816 7690 1 17 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.071 -2.840 25816 7691 1 17 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.617 0.336 25816 7692 1 17 . 1 1 45 45 ALA N N 45 120.693 120.693 123.235 -2.542 25816 7693 1 17 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.173 -0.189 25816 7694 1 17 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.542 -0.738 25816 7695 1 17 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.536 -0.569 25816 7696 1 17 . 1 1 45 45 ALA H H 45 7.524 7.524 7.821 -0.297 25816 7697 1 17 . 1 1 46 46 PHE N N 46 122.306 122.306 120.132 2.174 25816 7698 1 17 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.183 -0.221 25816 7699 1 17 . 1 1 46 46 PHE CA C 46 60.326 60.326 59.578 0.749 25816 7700 1 17 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.994 -0.374 25816 7701 1 17 . 1 1 46 46 PHE H H 46 8.603 8.603 8.359 0.244 25816 7702 1 17 . 1 1 47 47 ALA N N 47 123.253 123.253 121.118 2.135 25816 7703 1 17 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.071 0.017 25816 7704 1 17 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.216 -0.265 25816 7705 1 17 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.273 -0.626 25816 7706 1 17 . 1 1 47 47 ALA H H 47 9.199 9.199 7.687 1.512 25816 7707 1 17 . 1 1 48 48 ALA N N 48 117.571 117.571 119.351 -1.780 25816 7708 1 17 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.341 -0.038 25816 7709 1 17 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.630 0.057 25816 7710 1 17 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.979 -1.207 25816 7711 1 17 . 1 1 48 48 ALA H H 48 7.262 7.262 7.468 -0.206 25816 7712 1 17 . 1 1 49 49 GLY N N 49 103.229 103.229 107.884 -4.655 25816 7713 1 17 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.813 -1.194 25816 7714 1 17 . 1 1 49 49 GLY H H 49 7.461 7.461 7.656 -0.195 25816 7715 1 17 . 1 1 50 50 LEU N N 50 120.470 120.470 121.567 -1.097 25816 7716 1 17 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.126 -0.608 25816 7717 1 17 . 1 1 50 50 LEU CA C 50 54.412 54.412 56.023 -1.611 25816 7718 1 17 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.074 -0.119 25816 7719 1 17 . 1 1 50 50 LEU H H 50 7.224 7.224 7.570 -0.346 25816 7720 1 17 . 1 1 51 51 ARG N N 51 119.645 119.645 123.607 -3.962 25816 7721 1 17 . 1 1 51 51 ARG CA C 51 52.491 52.491 54.269 -1.778 25816 7722 1 17 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.923 -1.107 25816 7723 1 17 . 1 1 51 51 ARG H H 51 8.678 8.678 7.870 0.808 25816 7724 1 17 . 1 1 52 52 VAL N N 52 119.995 119.995 118.935 1.060 25816 7725 1 17 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.764 -0.541 25816 7726 1 17 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.691 0.527 25816 7727 1 17 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.071 -0.922 25816 7728 1 17 . 1 1 52 52 VAL H H 52 8.482 8.482 8.399 0.083 25816 7729 1 17 . 1 1 53 53 GLY N N 53 117.052 117.052 114.868 2.184 25816 7730 1 17 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.721 -1.296 25816 7731 1 17 . 1 1 53 53 GLY H H 53 9.122 9.122 9.033 0.089 25816 7732 1 17 . 1 1 54 54 ASP N N 54 124.203 124.203 120.611 3.592 25816 7733 1 17 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.084 -0.251 25816 7734 1 17 . 1 1 54 54 ASP CA C 54 54.734 54.734 52.803 1.931 25816 7735 1 17 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.177 -1.898 25816 7736 1 17 . 1 1 54 54 ASP H H 54 7.848 7.848 7.755 0.093 25816 7737 1 17 . 1 1 55 55 GLN N N 55 121.703 121.703 121.650 0.053 25816 7738 1 17 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.728 0.139 25816 7739 1 17 . 1 1 55 55 GLN CA C 55 53.526 53.526 54.964 -1.438 25816 7740 1 17 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.977 -1.945 25816 7741 1 17 . 1 1 55 55 GLN H H 55 9.158 9.158 8.561 0.597 25816 7742 1 17 . 1 1 56 56 LEU N N 56 124.733 124.733 126.848 -2.115 25816 7743 1 17 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.560 -0.373 25816 7744 1 17 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.459 1.736 25816 7745 1 17 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.912 0.101 25816 7746 1 17 . 1 1 56 56 LEU H H 56 8.770 8.770 8.412 0.358 25816 7747 1 17 . 1 1 57 57 VAL N N 57 123.383 123.383 121.105 2.278 25816 7748 1 17 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.354 -0.046 25816 7749 1 17 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.865 1.278 25816 7750 1 17 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.713 -0.078 25816 7751 1 17 . 1 1 57 57 VAL H H 57 8.889 8.889 8.124 0.765 25816 7752 1 17 . 1 1 58 58 ARG N N 58 118.094 118.094 118.691 -0.597 25816 7753 1 17 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.964 1.374 25816 7754 1 17 . 1 1 58 58 ARG CA C 58 54.212 54.212 59.012 -4.800 25816 7755 1 17 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.308 5.305 25816 7756 1 17 . 1 1 58 58 ARG H H 58 8.531 8.531 7.928 0.603 25816 7757 1 17 . 1 1 59 59 PHE N N 59 123.332 123.332 119.719 3.613 25816 7758 1 17 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.794 0.141 25816 7759 1 17 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.932 0.924 25816 7760 1 17 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.027 1.944 25816 7761 1 17 . 1 1 59 59 PHE H H 59 9.295 9.295 8.193 1.102 25816 7762 1 17 . 1 1 60 60 ALA N N 60 127.537 127.537 128.234 -0.697 25816 7763 1 17 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.858 -0.271 25816 7764 1 17 . 1 1 60 60 ALA CA C 60 52.374 52.374 51.719 0.655 25816 7765 1 17 . 1 1 60 60 ALA CB C 60 15.473 15.473 16.613 -1.140 25816 7766 1 17 . 1 1 60 60 ALA H H 60 8.356 8.356 7.747 0.609 25816 7767 1 17 . 1 1 61 61 GLY N N 61 103.058 103.058 107.116 -4.058 25816 7768 1 17 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.676 -0.889 25816 7769 1 17 . 1 1 61 61 GLY H H 61 9.178 9.178 7.674 1.504 25816 7770 1 17 . 1 1 62 62 TYR N N 62 120.218 120.218 117.645 2.573 25816 7771 1 17 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.137 0.493 25816 7772 1 17 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.298 -1.721 25816 7773 1 17 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.292 3.600 25816 7774 1 17 . 1 1 62 62 TYR H H 62 7.888 7.888 7.324 0.564 25816 7775 1 17 . 1 1 63 63 THR N N 63 120.933 120.933 111.847 9.086 25816 7776 1 17 . 1 1 63 63 THR HA H 63 4.479 4.479 4.946 -0.467 25816 7777 1 17 . 1 1 63 63 THR CA C 63 62.851 62.851 61.798 1.053 25816 7778 1 17 . 1 1 63 63 THR CB C 63 67.848 67.848 71.528 -3.680 25816 7779 1 17 . 1 1 63 63 THR H H 63 9.108 9.108 7.925 1.183 25816 7780 1 17 . 1 1 64 64 VAL N N 64 121.039 121.039 124.976 -3.937 25816 7781 1 17 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.567 0.032 25816 7782 1 17 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.564 -1.697 25816 7783 1 17 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.715 -1.712 25816 7784 1 17 . 1 1 64 64 VAL H H 64 7.782 7.782 8.568 -0.786 25816 7785 1 17 . 1 1 65 65 THR N N 65 114.373 114.373 118.844 -4.471 25816 7786 1 17 . 1 1 65 65 THR HA H 65 4.452 4.452 4.360 0.092 25816 7787 1 17 . 1 1 65 65 THR CA C 65 60.536 60.536 63.440 -2.904 25816 7788 1 17 . 1 1 65 65 THR CB C 65 69.037 69.037 69.249 -0.212 25816 7789 1 17 . 1 1 65 65 THR H H 65 9.053 9.053 8.302 0.751 25816 7790 1 17 . 1 1 66 66 GLU N N 66 115.766 115.766 118.512 -2.746 25816 7791 1 17 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.552 0.011 25816 7792 1 17 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.700 -2.312 25816 7793 1 17 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.834 0.731 25816 7794 1 17 . 1 1 66 66 GLU H H 66 7.345 7.345 7.752 -0.407 25816 7795 1 17 . 1 1 67 67 LEU N N 67 124.674 124.674 118.369 6.305 25816 7796 1 17 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.655 -0.721 25816 7797 1 17 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.598 -0.063 25816 7798 1 17 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.760 0.293 25816 7799 1 17 . 1 1 67 67 LEU H H 67 8.906 8.906 8.537 0.369 25816 7800 1 17 . 1 1 68 68 ALA N N 68 120.493 120.493 122.289 -1.796 25816 7801 1 17 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.970 0.166 25816 7802 1 17 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.091 -0.417 25816 7803 1 17 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.921 -1.400 25816 7804 1 17 . 1 1 68 68 ALA H H 68 9.022 9.022 8.516 0.506 25816 7805 1 17 . 1 1 69 69 ALA N N 69 119.695 119.695 121.357 -1.662 25816 7806 1 17 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.171 -0.009 25816 7807 1 17 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.833 -0.813 25816 7808 1 17 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.239 -0.577 25816 7809 1 17 . 1 1 69 69 ALA H H 69 7.258 7.258 7.541 -0.283 25816 7810 1 17 . 1 1 70 70 PHE N N 70 119.274 119.274 119.357 -0.083 25816 7811 1 17 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.265 -0.306 25816 7812 1 17 . 1 1 70 70 PHE CA C 70 60.960 60.960 59.448 1.512 25816 7813 1 17 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.236 -0.804 25816 7814 1 17 . 1 1 70 70 PHE H H 70 7.769 7.769 7.746 0.023 25816 7815 1 17 . 1 1 71 71 ASN N N 71 117.363 117.363 117.848 -0.485 25816 7816 1 17 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.242 -0.140 25816 7817 1 17 . 1 1 71 71 ASN CA C 71 54.697 54.697 55.760 -1.063 25816 7818 1 17 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.352 -2.279 25816 7819 1 17 . 1 1 71 71 ASN H H 71 8.801 8.801 8.651 0.150 25816 7820 1 17 . 1 1 72 72 THR N N 72 119.746 119.746 117.480 2.266 25816 7821 1 17 . 1 1 72 72 THR HA H 72 4.220 4.220 3.920 0.300 25816 7822 1 17 . 1 1 72 72 THR CA C 72 65.927 65.927 67.367 -1.440 25816 7823 1 17 . 1 1 72 72 THR CB C 72 67.600 67.600 69.000 -1.400 25816 7824 1 17 . 1 1 72 72 THR H H 72 8.109 8.109 8.053 0.056 25816 7825 1 17 . 1 1 73 73 VAL N N 73 123.156 123.156 120.094 3.062 25816 7826 1 17 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.273 0.182 25816 7827 1 17 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.160 -0.004 25816 7828 1 17 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.662 -0.326 25816 7829 1 17 . 1 1 73 73 VAL H H 73 7.744 7.744 7.924 -0.180 25816 7830 1 17 . 1 1 74 74 VAL N N 74 120.420 120.420 120.490 -0.070 25816 7831 1 17 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.598 -0.232 25816 7832 1 17 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.013 -0.415 25816 7833 1 17 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.922 -0.437 25816 7834 1 17 . 1 1 74 74 VAL H H 74 8.154 8.154 7.578 0.576 25816 7835 1 17 . 1 1 75 75 ALA N N 75 120.206 120.206 119.579 0.627 25816 7836 1 17 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.978 0.017 25816 7837 1 17 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.300 -0.301 25816 7838 1 17 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.758 -1.794 25816 7839 1 17 . 1 1 75 75 ALA H H 75 7.788 7.788 7.546 0.242 25816 7840 1 17 . 1 1 76 76 ARG N N 76 114.701 114.701 117.251 -2.550 25816 7841 1 17 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.043 0.042 25816 7842 1 17 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.718 -0.736 25816 7843 1 17 . 1 1 76 76 ARG CB C 76 30.684 30.684 30.057 0.627 25816 7844 1 17 . 1 1 76 76 ARG H H 76 7.705 7.705 8.061 -0.356 25816 7845 1 17 . 1 1 77 77 HIS N N 77 112.695 112.695 117.872 -5.177 25816 7846 1 17 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.607 0.203 25816 7847 1 17 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.100 2.061 25816 7848 1 17 . 1 1 77 77 HIS CB C 77 31.033 31.033 27.128 3.905 25816 7849 1 17 . 1 1 77 77 HIS H H 77 8.123 8.123 7.698 0.425 25816 7850 1 17 . 1 1 78 78 VAL N N 78 119.219 119.219 119.308 -0.089 25816 7851 1 17 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.127 -0.234 25816 7852 1 17 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.472 2.093 25816 7853 1 17 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.943 -2.815 25816 7854 1 17 . 1 1 78 78 VAL H H 78 8.034 8.034 7.551 0.483 25816 7855 1 17 . 1 1 79 79 ARG N N 79 126.908 126.908 122.275 4.633 25816 7856 1 17 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.503 -3.142 25816 7857 1 17 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.411 -0.220 25816 7858 1 17 . 1 1 79 79 ARG H H 79 7.023 7.023 7.881 -0.858 25816 7859 1 17 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.545 -0.520 25816 7860 1 17 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.088 0.482 25816 7861 1 17 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.911 -0.699 25816 7862 1 17 . 1 1 81 81 SER N N 81 115.039 115.039 117.392 -2.353 25816 7863 1 17 . 1 1 81 81 SER HA H 81 4.047 4.047 4.081 -0.034 25816 7864 1 17 . 1 1 81 81 SER CA C 81 60.713 60.713 58.958 1.755 25816 7865 1 17 . 1 1 81 81 SER H H 81 8.210 8.210 8.504 -0.294 25816 7866 1 17 . 1 1 82 82 ALA N N 82 123.546 123.546 125.935 -2.389 25816 7867 1 17 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.632 -0.286 25816 7868 1 17 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.043 0.463 25816 7869 1 17 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.369 -1.274 25816 7870 1 17 . 1 1 82 82 ALA H H 82 7.770 7.770 7.596 0.174 25816 7871 1 17 . 1 1 83 83 SER N N 83 116.753 116.753 120.531 -3.778 25816 7872 1 17 . 1 1 83 83 SER HA H 83 5.129 5.129 4.570 0.559 25816 7873 1 17 . 1 1 83 83 SER CA C 83 56.582 56.582 58.296 -1.714 25816 7874 1 17 . 1 1 83 83 SER CB C 83 62.554 62.554 63.139 -0.585 25816 7875 1 17 . 1 1 83 83 SER H H 83 8.524 8.524 8.768 -0.244 25816 7876 1 17 . 1 1 84 84 ILE N N 84 126.985 126.985 126.703 0.282 25816 7877 1 17 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.311 -2.525 25816 7878 1 17 . 1 1 84 84 ILE CB C 84 38.424 38.424 40.896 -2.472 25816 7879 1 17 . 1 1 84 84 ILE H H 84 9.599 9.599 8.029 1.570 25816 7880 1 17 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.509 0.436 25816 7881 1 17 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.673 -1.119 25816 7882 1 17 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.638 -0.211 25816 7883 1 17 . 1 1 86 86 VAL N N 86 123.811 123.811 124.720 -0.909 25816 7884 1 17 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.415 0.434 25816 7885 1 17 . 1 1 86 86 VAL CA C 86 59.773 59.773 60.916 -1.143 25816 7886 1 17 . 1 1 86 86 VAL CB C 86 34.644 34.644 36.029 -1.385 25816 7887 1 17 . 1 1 86 86 VAL H H 86 9.033 9.033 7.924 1.109 25816 7888 1 17 . 1 1 87 87 VAL N N 87 127.839 127.839 124.636 3.203 25816 7889 1 17 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.225 0.747 25816 7890 1 17 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.829 -1.136 25816 7891 1 17 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.930 -0.512 25816 7892 1 17 . 1 1 87 87 VAL H H 87 9.132 9.132 8.493 0.639 25816 7893 1 17 . 1 1 88 88 PHE N N 88 127.301 127.301 128.511 -1.210 25816 7894 1 17 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.582 0.036 25816 7895 1 17 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.332 -1.121 25816 7896 1 17 . 1 1 88 88 PHE CB C 88 41.002 41.002 43.402 -2.400 25816 7897 1 17 . 1 1 88 88 PHE H H 88 9.248 9.248 8.217 1.031 25816 7898 1 17 . 1 1 89 89 SER N N 89 113.734 113.734 116.963 -3.229 25816 7899 1 17 . 1 1 89 89 SER HA H 89 5.336 5.336 4.556 0.780 25816 7900 1 17 . 1 1 89 89 SER CA C 89 54.452 54.452 56.246 -1.794 25816 7901 1 17 . 1 1 89 89 SER CB C 89 64.474 64.474 65.903 -1.429 25816 7902 1 17 . 1 1 89 89 SER H H 89 9.689 9.689 7.906 1.783 25816 7903 1 17 . 1 1 90 90 ARG N N 90 128.114 128.114 124.225 3.889 25816 7904 1 17 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.509 0.238 25816 7905 1 17 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.006 -0.884 25816 7906 1 17 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.113 1.223 25816 7907 1 17 . 1 1 90 90 ARG H H 90 8.561 8.561 7.604 0.957 25816 7908 1 17 . 1 1 91 91 ASP N N 91 129.790 129.790 121.681 8.109 25816 7909 1 17 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.290 -0.021 25816 7910 1 17 . 1 1 91 91 ASP CA C 91 54.501 54.501 54.925 -0.424 25816 7911 1 17 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.991 0.090 25816 7912 1 17 . 1 1 91 91 ASP H H 91 9.461 9.461 8.752 0.709 25816 7913 1 17 . 1 1 92 92 GLY N N 92 102.404 102.404 102.080 0.324 25816 7914 1 17 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.737 -0.432 25816 7915 1 17 . 1 1 92 92 GLY H H 92 8.391 8.391 7.978 0.413 25816 7916 1 17 . 1 1 93 93 VAL N N 93 123.090 123.090 121.551 1.539 25816 7917 1 17 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.838 0.164 25816 7918 1 17 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.243 -1.977 25816 7919 1 17 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.269 -0.451 25816 7920 1 17 . 1 1 93 93 VAL H H 93 7.682 7.682 7.029 0.653 25816 7921 1 17 . 1 1 94 94 VAL N N 94 128.414 128.414 127.663 0.751 25816 7922 1 17 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.151 -0.017 25816 7923 1 17 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.760 0.580 25816 7924 1 17 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.431 -2.315 25816 7925 1 17 . 1 1 94 94 VAL H H 94 8.400 8.400 8.416 -0.016 25816 7926 1 17 . 1 1 95 95 MET N N 95 129.196 129.196 128.809 0.387 25816 7927 1 17 . 1 1 95 95 MET HA H 95 4.352 4.352 4.986 -0.634 25816 7928 1 17 . 1 1 95 95 MET CA C 95 53.674 53.674 54.409 -0.735 25816 7929 1 17 . 1 1 95 95 MET CB C 95 36.104 36.104 37.228 -1.125 25816 7930 1 17 . 1 1 95 95 MET H H 95 9.100 9.100 8.471 0.629 25816 7931 1 17 . 1 1 96 96 SER N N 96 111.540 111.540 117.068 -5.528 25816 7932 1 17 . 1 1 96 96 SER HA H 96 5.469 5.469 4.970 0.499 25816 7933 1 17 . 1 1 96 96 SER CA C 96 55.830 55.830 57.312 -1.482 25816 7934 1 17 . 1 1 96 96 SER CB C 96 65.471 65.471 64.616 0.855 25816 7935 1 17 . 1 1 96 96 SER H H 96 8.004 8.004 8.394 -0.390 25816 7936 1 17 . 1 1 97 97 ALA N N 97 124.079 124.079 129.035 -4.956 25816 7937 1 17 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.728 0.060 25816 7938 1 17 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.023 -1.624 25816 7939 1 17 . 1 1 97 97 ALA CB C 97 22.544 22.544 21.833 0.711 25816 7940 1 17 . 1 1 97 97 ALA H H 97 9.145 9.145 8.291 0.854 25816 7941 1 17 . 1 1 98 98 THR N N 98 117.342 117.342 118.464 -1.122 25816 7942 1 17 . 1 1 98 98 THR HA H 98 4.823 4.823 4.620 0.203 25816 7943 1 17 . 1 1 98 98 THR CA C 98 61.053 61.053 61.739 -0.686 25816 7944 1 17 . 1 1 98 98 THR CB C 98 69.913 69.913 69.589 0.324 25816 7945 1 17 . 1 1 98 98 THR H H 98 8.754 8.754 8.384 0.370 25816 7946 1 17 . 1 1 99 99 ILE N N 99 125.689 125.689 122.550 3.139 25816 7947 1 17 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.660 -0.549 25816 7948 1 17 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.356 -0.987 25816 7949 1 17 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.472 0.219 25816 7950 1 17 . 1 1 99 99 ILE H H 99 8.868 8.868 7.883 0.985 25816 7951 1 17 . 1 1 100 100 VAL N N 100 129.871 129.871 122.860 7.011 25816 7952 1 17 . 1 1 100 100 VAL HA H 100 4.666 4.666 5.020 -0.354 25816 7953 1 17 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.154 0.713 25816 7954 1 17 . 1 1 100 100 VAL CB C 100 29.610 29.610 32.559 -2.949 25816 7955 1 17 . 1 1 100 100 VAL H H 100 8.818 8.818 8.305 0.513 25816 7956 1 17 . 1 1 101 101 VAL N N 101 128.299 128.299 124.250 4.049 25816 7957 1 17 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.474 -1.105 25816 7958 1 17 . 1 1 101 101 VAL CA C 101 64.327 64.327 60.205 4.122 25816 7959 1 17 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.210 -0.236 25816 7960 1 17 . 1 1 101 101 VAL H H 101 8.795 8.795 7.883 0.912 25816 7961 1 17 . 1 1 102 102 GLY N N 102 115.466 115.466 115.050 0.416 25816 7962 1 17 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.476 -0.796 25816 7963 1 17 . 1 1 102 102 GLY H H 102 8.393 8.393 8.396 -0.003 25816 7964 1 17 . 1 1 103 103 GLU N N 103 119.459 119.459 121.020 -1.561 25816 7965 1 17 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.607 0.348 25816 7966 1 17 . 1 1 103 103 GLU CA C 103 54.746 54.746 55.714 -0.968 25816 7967 1 17 . 1 1 103 103 GLU CB C 103 32.201 32.201 32.907 -0.706 25816 7968 1 17 . 1 1 103 103 GLU H H 103 8.386 8.386 8.238 0.148 25816 7969 1 17 . 1 1 104 104 LEU N N 104 123.881 123.881 119.468 4.413 25816 7970 1 17 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.097 0.603 25816 7971 1 17 . 1 1 104 104 LEU CA C 104 52.567 52.567 55.977 -3.410 25816 7972 1 17 . 1 1 104 104 LEU CB C 104 44.058 44.058 40.538 3.520 25816 7973 1 17 . 1 1 104 104 LEU H H 104 8.735 8.735 8.548 0.187 25816 7974 1 18 . 1 1 2 2 LEU N N 2 122.611 122.611 119.078 3.533 25816 7975 1 18 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.595 -0.203 25816 7976 1 18 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.729 -1.397 25816 7977 1 18 . 1 1 2 2 LEU CB C 2 41.317 41.317 44.775 -3.458 25816 7978 1 18 . 1 1 2 2 LEU H H 2 8.535 8.535 8.223 0.312 25816 7979 1 18 . 1 1 3 3 THR N N 3 112.475 112.475 117.213 -4.738 25816 7980 1 18 . 1 1 3 3 THR HA H 3 4.777 4.777 4.538 0.239 25816 7981 1 18 . 1 1 3 3 THR CA C 3 59.259 59.259 61.096 -1.837 25816 7982 1 18 . 1 1 3 3 THR CB C 3 70.185 70.185 69.862 0.323 25816 7983 1 18 . 1 1 3 3 THR H H 3 7.903 7.903 8.222 -0.319 25816 7984 1 18 . 1 1 4 4 ARG N N 4 120.183 120.183 122.332 -2.149 25816 7985 1 18 . 1 1 4 4 ARG H H 4 8.809 8.809 8.526 0.283 25816 7986 1 18 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.408 -0.036 25816 7987 1 18 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.295 1.722 25816 7988 1 18 . 1 1 5 5 PRO CB C 5 31.588 31.588 30.579 1.009 25816 7989 1 18 . 1 1 6 6 TYR N N 6 120.727 120.727 122.661 -1.934 25816 7990 1 18 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.626 0.008 25816 7991 1 18 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.475 -1.399 25816 7992 1 18 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.369 -0.315 25816 7993 1 18 . 1 1 6 6 TYR H H 6 7.530 7.530 8.114 -0.584 25816 7994 1 18 . 1 1 7 7 LEU N N 7 126.575 126.575 122.966 3.609 25816 7995 1 18 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.459 -0.052 25816 7996 1 18 . 1 1 7 7 LEU H H 7 8.500 8.500 8.300 0.200 25816 7997 1 18 . 1 1 8 8 GLY CA C 8 45.707 45.707 44.952 0.755 25816 7998 1 18 . 1 1 9 9 PHE N N 9 114.612 114.612 116.257 -1.645 25816 7999 1 18 . 1 1 9 9 PHE HA H 9 5.358 5.358 4.900 0.458 25816 8000 1 18 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.474 -0.212 25816 8001 1 18 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.444 -0.990 25816 8002 1 18 . 1 1 9 9 PHE H H 9 7.102 7.102 7.405 -0.303 25816 8003 1 18 . 1 1 10 10 ARG N N 10 117.800 117.800 120.616 -2.816 25816 8004 1 18 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.659 0.012 25816 8005 1 18 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.870 -1.471 25816 8006 1 18 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.070 0.745 25816 8007 1 18 . 1 1 10 10 ARG H H 10 8.206 8.206 8.758 -0.552 25816 8008 1 18 . 1 1 11 11 VAL N N 11 117.216 117.216 117.333 -0.117 25816 8009 1 18 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.160 0.007 25816 8010 1 18 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.730 -1.540 25816 8011 1 18 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.044 -0.169 25816 8012 1 18 . 1 1 11 11 VAL H H 11 8.601 8.601 8.291 0.310 25816 8013 1 18 . 1 1 12 12 ALA N N 12 123.025 123.025 130.806 -7.781 25816 8014 1 18 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.758 -0.178 25816 8015 1 18 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.818 -1.275 25816 8016 1 18 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.392 1.390 25816 8017 1 18 . 1 1 12 12 ALA H H 12 8.861 8.861 8.068 0.793 25816 8018 1 18 . 1 1 13 13 VAL N N 13 121.395 121.395 123.226 -1.831 25816 8019 1 18 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.097 0.454 25816 8020 1 18 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.824 -0.541 25816 8021 1 18 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.519 -0.825 25816 8022 1 18 . 1 1 13 13 VAL H H 13 8.585 8.585 8.625 -0.040 25816 8023 1 18 . 1 1 14 14 GLY N N 14 117.546 117.546 116.598 0.948 25816 8024 1 18 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.570 -2.186 25816 8025 1 18 . 1 1 14 14 GLY H H 14 8.789 8.789 8.206 0.583 25816 8026 1 18 . 1 1 15 15 ARG N N 15 120.075 120.075 121.239 -1.164 25816 8027 1 18 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.792 0.318 25816 8028 1 18 . 1 1 15 15 ARG CA C 15 53.893 53.893 54.644 -0.751 25816 8029 1 18 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.410 0.346 25816 8030 1 18 . 1 1 15 15 ARG H H 15 8.299 8.299 8.377 -0.078 25816 8031 1 18 . 1 1 16 16 ASP N N 16 123.872 123.872 120.838 3.034 25816 8032 1 18 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.787 -0.042 25816 8033 1 18 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.648 -1.277 25816 8034 1 18 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.128 -1.376 25816 8035 1 18 . 1 1 16 16 ASP H H 16 8.619 8.619 8.554 0.065 25816 8036 1 18 . 1 1 17 17 SER N N 17 114.309 114.309 113.998 0.311 25816 8037 1 18 . 1 1 17 17 SER HA H 17 4.196 4.196 4.278 -0.082 25816 8038 1 18 . 1 1 17 17 SER CA C 17 59.950 59.950 60.611 -0.661 25816 8039 1 18 . 1 1 17 17 SER CB C 17 61.825 61.825 63.536 -1.711 25816 8040 1 18 . 1 1 17 17 SER H H 17 8.624 8.624 8.373 0.251 25816 8041 1 18 . 1 1 18 18 SER N N 18 117.903 117.903 115.375 2.528 25816 8042 1 18 . 1 1 18 18 SER HA H 18 4.597 4.597 4.339 0.258 25816 8043 1 18 . 1 1 18 18 SER CA C 18 57.732 57.732 58.803 -1.071 25816 8044 1 18 . 1 1 18 18 SER CB C 18 63.470 63.470 63.878 -0.408 25816 8045 1 18 . 1 1 18 18 SER H H 18 8.385 8.385 7.718 0.667 25816 8046 1 18 . 1 1 19 19 GLY N N 19 109.883 109.883 107.289 2.594 25816 8047 1 18 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.822 -0.651 25816 8048 1 18 . 1 1 19 19 GLY H H 19 8.214 8.214 8.053 0.161 25816 8049 1 18 . 1 1 20 20 CYS N N 20 122.167 122.167 118.466 3.701 25816 8050 1 18 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.677 -0.189 25816 8051 1 18 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.611 0.426 25816 8052 1 18 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.755 -3.070 25816 8053 1 18 . 1 1 20 20 CYS H H 20 8.286 8.286 8.154 0.132 25816 8054 1 18 . 1 1 21 21 THR N N 21 119.387 119.387 115.022 4.365 25816 8055 1 18 . 1 1 21 21 THR HA H 21 4.764 4.764 4.078 0.686 25816 8056 1 18 . 1 1 21 21 THR CA C 21 61.953 61.953 62.985 -1.032 25816 8057 1 18 . 1 1 21 21 THR CB C 21 68.795 68.795 67.905 0.890 25816 8058 1 18 . 1 1 21 21 THR H H 21 8.626 8.626 7.843 0.783 25816 8059 1 18 . 1 1 22 22 THR N N 22 116.611 116.611 116.861 -0.250 25816 8060 1 18 . 1 1 22 22 THR HA H 22 4.513 4.513 4.723 -0.210 25816 8061 1 18 . 1 1 22 22 THR CA C 22 58.918 58.918 60.617 -1.699 25816 8062 1 18 . 1 1 22 22 THR CB C 22 71.128 71.128 70.985 0.143 25816 8063 1 18 . 1 1 22 22 THR H H 22 8.343 8.343 8.211 0.132 25816 8064 1 18 . 1 1 23 23 LEU N N 23 122.893 122.893 126.241 -3.348 25816 8065 1 18 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.154 -0.222 25816 8066 1 18 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.895 -1.408 25816 8067 1 18 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.233 -1.968 25816 8068 1 18 . 1 1 23 23 LEU H H 23 9.157 9.157 8.777 0.380 25816 8069 1 18 . 1 1 24 24 SER N N 24 116.771 116.771 114.640 2.131 25816 8070 1 18 . 1 1 24 24 SER HA H 24 5.173 5.173 4.724 0.449 25816 8071 1 18 . 1 1 24 24 SER CA C 24 55.247 55.247 56.789 -1.542 25816 8072 1 18 . 1 1 24 24 SER CB C 24 64.841 64.841 64.518 0.323 25816 8073 1 18 . 1 1 24 24 SER H H 24 8.656 8.656 7.994 0.662 25816 8074 1 18 . 1 1 25 25 ILE N N 25 122.747 122.747 127.226 -4.479 25816 8075 1 18 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.725 -0.694 25816 8076 1 18 . 1 1 25 25 ILE CA C 25 61.270 61.270 61.192 0.078 25816 8077 1 18 . 1 1 25 25 ILE CB C 25 34.649 34.649 38.450 -3.800 25816 8078 1 18 . 1 1 25 25 ILE H H 25 9.023 9.023 9.046 -0.023 25816 8079 1 18 . 1 1 26 26 GLN N N 26 129.779 129.779 126.432 3.347 25816 8080 1 18 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.470 -0.041 25816 8081 1 18 . 1 1 26 26 GLN CA C 26 54.587 54.587 56.539 -1.952 25816 8082 1 18 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.395 0.881 25816 8083 1 18 . 1 1 26 26 GLN H H 26 9.093 9.093 8.677 0.416 25816 8084 1 18 . 1 1 27 27 GLU N N 27 118.722 118.722 118.516 0.206 25816 8085 1 18 . 1 1 27 27 GLU CA C 27 54.964 54.964 55.223 -0.259 25816 8086 1 18 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.761 -0.739 25816 8087 1 18 . 1 1 27 27 GLU H H 27 7.479 7.479 7.788 -0.309 25816 8088 1 18 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.308 0.135 25816 8089 1 18 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.962 -0.806 25816 8090 1 18 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.394 2.286 25816 8091 1 18 . 1 1 29 29 THR N N 29 124.459 124.459 117.543 6.916 25816 8092 1 18 . 1 1 29 29 THR HA H 29 4.183 4.183 4.261 -0.078 25816 8093 1 18 . 1 1 29 29 THR CA C 29 62.474 62.474 63.758 -1.284 25816 8094 1 18 . 1 1 29 29 THR CB C 29 68.811 68.811 68.918 -0.107 25816 8095 1 18 . 1 1 29 29 THR H H 29 8.009 8.009 8.287 -0.278 25816 8096 1 18 . 1 1 30 30 GLN N N 30 130.053 130.053 120.768 9.285 25816 8097 1 18 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.415 -0.893 25816 8098 1 18 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.740 2.146 25816 8099 1 18 . 1 1 30 30 GLN CB C 30 27.305 27.305 26.786 0.519 25816 8100 1 18 . 1 1 30 30 GLN H H 30 9.321 9.321 8.485 0.836 25816 8101 1 18 . 1 1 31 31 THR N N 31 111.234 111.234 108.313 2.921 25816 8102 1 18 . 1 1 31 31 THR HA H 31 5.509 5.509 4.726 0.783 25816 8103 1 18 . 1 1 31 31 THR CA C 31 58.798 58.798 61.603 -2.805 25816 8104 1 18 . 1 1 31 31 THR CB C 31 71.374 71.374 69.874 1.500 25816 8105 1 18 . 1 1 31 31 THR H H 31 7.630 7.630 8.088 -0.458 25816 8106 1 18 . 1 1 32 32 TYR N N 32 121.998 121.998 121.912 0.086 25816 8107 1 18 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.783 0.020 25816 8108 1 18 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.769 -2.970 25816 8109 1 18 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.769 -2.050 25816 8110 1 18 . 1 1 32 32 TYR H H 32 9.359 9.359 7.698 1.661 25816 8111 1 18 . 1 1 33 33 THR N N 33 114.039 114.039 113.256 0.783 25816 8112 1 18 . 1 1 33 33 THR HA H 33 4.390 4.390 4.564 -0.174 25816 8113 1 18 . 1 1 33 33 THR CA C 33 59.896 59.896 61.280 -1.384 25816 8114 1 18 . 1 1 33 33 THR CB C 33 69.135 69.135 71.177 -2.042 25816 8115 1 18 . 1 1 33 33 THR H H 33 7.985 7.985 8.061 -0.076 25816 8116 1 18 . 1 1 34 34 GLY N N 34 113.445 113.445 108.657 4.788 25816 8117 1 18 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.757 -1.685 25816 8118 1 18 . 1 1 34 34 GLY H H 34 8.698 8.698 8.615 0.083 25816 8119 1 18 . 1 1 35 35 SER N N 35 113.837 113.837 116.181 -2.344 25816 8120 1 18 . 1 1 35 35 SER HA H 35 4.264 4.264 4.209 0.055 25816 8121 1 18 . 1 1 35 35 SER CA C 35 57.651 57.651 60.099 -2.449 25816 8122 1 18 . 1 1 35 35 SER CB C 35 63.056 63.056 63.398 -0.342 25816 8123 1 18 . 1 1 35 35 SER H H 35 8.039 8.039 8.377 -0.338 25816 8124 1 18 . 1 1 36 36 ASN N N 36 119.749 119.749 114.220 5.529 25816 8125 1 18 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.786 -0.202 25816 8126 1 18 . 1 1 36 36 ASN CA C 36 52.781 52.781 53.363 -0.582 25816 8127 1 18 . 1 1 36 36 ASN CB C 36 37.186 37.186 39.189 -2.003 25816 8128 1 18 . 1 1 36 36 ASN H H 36 8.767 8.767 8.258 0.509 25816 8129 1 18 . 1 1 37 37 GLY N N 37 110.628 110.628 106.071 4.557 25816 8130 1 18 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.803 -1.218 25816 8131 1 18 . 1 1 37 37 GLY H H 37 8.496 8.496 7.857 0.639 25816 8132 1 18 . 1 1 38 38 GLY N N 38 108.654 108.654 108.271 0.383 25816 8133 1 18 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.963 -1.863 25816 8134 1 18 . 1 1 38 38 GLY H H 38 7.955 7.955 7.963 -0.008 25816 8135 1 18 . 1 1 39 39 ALA N N 39 123.326 123.326 122.504 0.822 25816 8136 1 18 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.618 -0.407 25816 8137 1 18 . 1 1 39 39 ALA CA C 39 50.838 50.838 51.956 -1.118 25816 8138 1 18 . 1 1 39 39 ALA CB C 39 18.729 18.729 21.092 -2.363 25816 8139 1 18 . 1 1 39 39 ALA H H 39 8.028 8.028 7.869 0.159 25816 8140 1 18 . 1 1 40 40 ASP N N 40 119.573 119.573 119.515 0.058 25816 8141 1 18 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.275 0.112 25816 8142 1 18 . 1 1 40 40 ASP CA C 40 53.994 53.994 55.289 -1.295 25816 8143 1 18 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.532 -0.905 25816 8144 1 18 . 1 1 40 40 ASP H H 40 8.261 8.261 8.503 -0.242 25816 8145 1 18 . 1 1 41 41 LEU N N 41 123.899 123.899 123.108 0.791 25816 8146 1 18 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.322 0.120 25816 8147 1 18 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.342 -2.121 25816 8148 1 18 . 1 1 41 41 LEU CB C 41 43.009 43.009 44.738 -1.729 25816 8149 1 18 . 1 1 41 41 LEU H H 41 8.663 8.663 7.551 1.112 25816 8150 1 18 . 1 1 42 42 MET N N 42 119.684 119.684 122.178 -2.494 25816 8151 1 18 . 1 1 42 42 MET HA H 42 4.730 4.730 4.324 0.406 25816 8152 1 18 . 1 1 42 42 MET CA C 42 54.695 54.695 57.395 -2.700 25816 8153 1 18 . 1 1 42 42 MET CB C 42 32.194 32.194 32.330 -0.136 25816 8154 1 18 . 1 1 42 42 MET H H 42 8.553 8.553 8.422 0.131 25816 8155 1 18 . 1 1 43 43 GLY N N 43 113.052 113.052 111.537 1.515 25816 8156 1 18 . 1 1 43 43 GLY CA C 43 43.378 43.378 45.752 -2.374 25816 8157 1 18 . 1 1 43 43 GLY H H 43 8.618 8.618 8.333 0.285 25816 8158 1 18 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.846 -0.126 25816 8159 1 18 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.291 -3.060 25816 8160 1 18 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.579 0.374 25816 8161 1 18 . 1 1 45 45 ALA N N 45 120.693 120.693 121.746 -1.053 25816 8162 1 18 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.222 -0.238 25816 8163 1 18 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.591 -0.787 25816 8164 1 18 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.344 -0.377 25816 8165 1 18 . 1 1 45 45 ALA H H 45 7.524 7.524 7.639 -0.115 25816 8166 1 18 . 1 1 46 46 PHE N N 46 122.306 122.306 118.847 3.459 25816 8167 1 18 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.320 -0.358 25816 8168 1 18 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.519 -0.193 25816 8169 1 18 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.445 -0.825 25816 8170 1 18 . 1 1 46 46 PHE H H 46 8.603 8.603 8.227 0.376 25816 8171 1 18 . 1 1 47 47 ALA N N 47 123.253 123.253 121.582 1.671 25816 8172 1 18 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.238 -0.150 25816 8173 1 18 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.571 -0.620 25816 8174 1 18 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.488 -0.841 25816 8175 1 18 . 1 1 47 47 ALA H H 47 9.199 9.199 8.264 0.935 25816 8176 1 18 . 1 1 48 48 ALA N N 48 117.571 117.571 119.069 -1.498 25816 8177 1 18 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.378 -0.075 25816 8178 1 18 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.735 -0.048 25816 8179 1 18 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.782 -1.010 25816 8180 1 18 . 1 1 48 48 ALA H H 48 7.262 7.262 7.715 -0.453 25816 8181 1 18 . 1 1 49 49 GLY N N 49 103.229 103.229 107.609 -4.380 25816 8182 1 18 . 1 1 49 49 GLY CA C 49 43.619 43.619 45.117 -1.498 25816 8183 1 18 . 1 1 49 49 GLY H H 49 7.461 7.461 7.648 -0.187 25816 8184 1 18 . 1 1 50 50 LEU N N 50 120.470 120.470 121.132 -0.662 25816 8185 1 18 . 1 1 50 50 LEU HA H 50 3.518 3.518 3.862 -0.344 25816 8186 1 18 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.997 -1.585 25816 8187 1 18 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.590 -0.635 25816 8188 1 18 . 1 1 50 50 LEU H H 50 7.224 7.224 7.504 -0.280 25816 8189 1 18 . 1 1 51 51 ARG N N 51 119.645 119.645 124.692 -5.047 25816 8190 1 18 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.891 -1.400 25816 8191 1 18 . 1 1 51 51 ARG CB C 51 33.816 33.816 35.098 -1.282 25816 8192 1 18 . 1 1 51 51 ARG H H 51 8.678 8.678 8.124 0.554 25816 8193 1 18 . 1 1 52 52 VAL N N 52 119.995 119.995 116.727 3.268 25816 8194 1 18 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.776 -0.553 25816 8195 1 18 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.547 0.671 25816 8196 1 18 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.168 -1.019 25816 8197 1 18 . 1 1 52 52 VAL H H 52 8.482 8.482 8.265 0.217 25816 8198 1 18 . 1 1 53 53 GLY N N 53 117.052 117.052 115.186 1.866 25816 8199 1 18 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.729 -1.304 25816 8200 1 18 . 1 1 53 53 GLY H H 53 9.122 9.122 9.223 -0.101 25816 8201 1 18 . 1 1 54 54 ASP N N 54 124.203 124.203 121.439 2.764 25816 8202 1 18 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.879 -0.046 25816 8203 1 18 . 1 1 54 54 ASP CA C 54 54.734 54.734 54.026 0.708 25816 8204 1 18 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.368 -2.089 25816 8205 1 18 . 1 1 54 54 ASP H H 54 7.848 7.848 7.613 0.235 25816 8206 1 18 . 1 1 55 55 GLN N N 55 121.703 121.703 123.347 -1.644 25816 8207 1 18 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.706 0.161 25816 8208 1 18 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.051 -1.525 25816 8209 1 18 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.493 -1.461 25816 8210 1 18 . 1 1 55 55 GLN H H 55 9.158 9.158 8.205 0.953 25816 8211 1 18 . 1 1 56 56 LEU N N 56 124.733 124.733 126.496 -1.763 25816 8212 1 18 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.411 -0.224 25816 8213 1 18 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.938 0.257 25816 8214 1 18 . 1 1 56 56 LEU CB C 56 42.013 42.013 41.799 0.214 25816 8215 1 18 . 1 1 56 56 LEU H H 56 8.770 8.770 8.885 -0.115 25816 8216 1 18 . 1 1 57 57 VAL N N 57 123.383 123.383 122.932 0.451 25816 8217 1 18 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.041 0.267 25816 8218 1 18 . 1 1 57 57 VAL CA C 57 63.143 63.143 63.816 -0.673 25816 8219 1 18 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.369 0.266 25816 8220 1 18 . 1 1 57 57 VAL H H 57 8.889 8.889 8.113 0.776 25816 8221 1 18 . 1 1 58 58 ARG N N 58 118.094 118.094 117.019 1.075 25816 8222 1 18 . 1 1 58 58 ARG HA H 58 5.338 5.338 3.980 1.358 25816 8223 1 18 . 1 1 58 58 ARG CA C 58 54.212 54.212 58.999 -4.787 25816 8224 1 18 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.532 5.082 25816 8225 1 18 . 1 1 58 58 ARG H H 58 8.531 8.531 8.198 0.333 25816 8226 1 18 . 1 1 59 59 PHE N N 59 123.332 123.332 119.682 3.650 25816 8227 1 18 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.786 0.149 25816 8228 1 18 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.824 1.032 25816 8229 1 18 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.717 2.254 25816 8230 1 18 . 1 1 59 59 PHE H H 59 9.295 9.295 8.394 0.901 25816 8231 1 18 . 1 1 60 60 ALA N N 60 127.537 127.537 127.266 0.271 25816 8232 1 18 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.831 -0.244 25816 8233 1 18 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.370 -0.996 25816 8234 1 18 . 1 1 60 60 ALA CB C 60 15.473 15.473 18.123 -2.650 25816 8235 1 18 . 1 1 60 60 ALA H H 60 8.356 8.356 7.933 0.423 25816 8236 1 18 . 1 1 61 61 GLY N N 61 103.058 103.058 105.314 -2.256 25816 8237 1 18 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.837 -1.050 25816 8238 1 18 . 1 1 61 61 GLY H H 61 9.178 9.178 7.392 1.786 25816 8239 1 18 . 1 1 62 62 TYR N N 62 120.218 120.218 118.312 1.906 25816 8240 1 18 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.076 0.554 25816 8241 1 18 . 1 1 62 62 TYR CA C 62 56.577 56.577 59.280 -2.703 25816 8242 1 18 . 1 1 62 62 TYR CB C 62 38.892 38.892 36.505 2.386 25816 8243 1 18 . 1 1 62 62 TYR H H 62 7.888 7.888 7.512 0.376 25816 8244 1 18 . 1 1 63 63 THR N N 63 120.933 120.933 111.108 9.825 25816 8245 1 18 . 1 1 63 63 THR HA H 63 4.479 4.479 4.868 -0.389 25816 8246 1 18 . 1 1 63 63 THR CA C 63 62.851 62.851 61.089 1.762 25816 8247 1 18 . 1 1 63 63 THR CB C 63 67.848 67.848 71.802 -3.954 25816 8248 1 18 . 1 1 63 63 THR H H 63 9.108 9.108 7.598 1.510 25816 8249 1 18 . 1 1 64 64 VAL N N 64 121.039 121.039 124.719 -3.680 25816 8250 1 18 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.650 -0.051 25816 8251 1 18 . 1 1 64 64 VAL CA C 64 58.867 58.867 59.084 -0.217 25816 8252 1 18 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.044 -2.041 25816 8253 1 18 . 1 1 64 64 VAL H H 64 7.782 7.782 8.464 -0.682 25816 8254 1 18 . 1 1 65 65 THR N N 65 114.373 114.373 118.360 -3.987 25816 8255 1 18 . 1 1 65 65 THR HA H 65 4.452 4.452 4.344 0.108 25816 8256 1 18 . 1 1 65 65 THR CA C 65 60.536 60.536 62.982 -2.446 25816 8257 1 18 . 1 1 65 65 THR CB C 65 69.037 69.037 69.315 -0.278 25816 8258 1 18 . 1 1 65 65 THR H H 65 9.053 9.053 8.319 0.734 25816 8259 1 18 . 1 1 66 66 GLU N N 66 115.766 115.766 119.482 -3.716 25816 8260 1 18 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.518 0.045 25816 8261 1 18 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.695 -2.308 25816 8262 1 18 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.904 0.662 25816 8263 1 18 . 1 1 66 66 GLU H H 66 7.345 7.345 7.784 -0.439 25816 8264 1 18 . 1 1 67 67 LEU N N 67 124.674 124.674 118.051 6.623 25816 8265 1 18 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.636 -0.702 25816 8266 1 18 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.564 -0.029 25816 8267 1 18 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.829 0.224 25816 8268 1 18 . 1 1 67 67 LEU H H 67 8.906 8.906 8.486 0.420 25816 8269 1 18 . 1 1 68 68 ALA N N 68 120.493 120.493 121.762 -1.269 25816 8270 1 18 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.077 0.059 25816 8271 1 18 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.045 -0.371 25816 8272 1 18 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.612 -1.091 25816 8273 1 18 . 1 1 68 68 ALA H H 68 9.022 9.022 8.580 0.442 25816 8274 1 18 . 1 1 69 69 ALA N N 69 119.695 119.695 121.470 -1.775 25816 8275 1 18 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.053 0.109 25816 8276 1 18 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.943 -0.923 25816 8277 1 18 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.382 -0.719 25816 8278 1 18 . 1 1 69 69 ALA H H 69 7.258 7.258 7.424 -0.166 25816 8279 1 18 . 1 1 70 70 PHE N N 70 119.274 119.274 119.158 0.116 25816 8280 1 18 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.181 -0.222 25816 8281 1 18 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.924 0.036 25816 8282 1 18 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.486 -1.054 25816 8283 1 18 . 1 1 70 70 PHE H H 70 7.769 7.769 7.778 -0.009 25816 8284 1 18 . 1 1 71 71 ASN N N 71 117.363 117.363 118.425 -1.062 25816 8285 1 18 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.391 -0.289 25816 8286 1 18 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.030 -1.333 25816 8287 1 18 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.459 -2.386 25816 8288 1 18 . 1 1 71 71 ASN H H 71 8.801 8.801 8.847 -0.046 25816 8289 1 18 . 1 1 72 72 THR N N 72 119.746 119.746 117.599 2.147 25816 8290 1 18 . 1 1 72 72 THR HA H 72 4.220 4.220 3.974 0.246 25816 8291 1 18 . 1 1 72 72 THR CA C 72 65.927 65.927 67.374 -1.447 25816 8292 1 18 . 1 1 72 72 THR CB C 72 67.600 67.600 69.025 -1.425 25816 8293 1 18 . 1 1 72 72 THR H H 72 8.109 8.109 7.940 0.169 25816 8294 1 18 . 1 1 73 73 VAL N N 73 123.156 123.156 119.770 3.386 25816 8295 1 18 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.460 -0.005 25816 8296 1 18 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.035 0.121 25816 8297 1 18 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.068 -0.732 25816 8298 1 18 . 1 1 73 73 VAL H H 73 7.744 7.744 7.838 -0.095 25816 8299 1 18 . 1 1 74 74 VAL N N 74 120.420 120.420 119.213 1.207 25816 8300 1 18 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.430 -0.064 25816 8301 1 18 . 1 1 74 74 VAL CA C 74 65.598 65.598 66.036 -0.438 25816 8302 1 18 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.163 -0.678 25816 8303 1 18 . 1 1 74 74 VAL H H 74 8.154 8.154 7.366 0.788 25816 8304 1 18 . 1 1 75 75 ALA N N 75 120.206 120.206 122.241 -2.035 25816 8305 1 18 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.008 -0.013 25816 8306 1 18 . 1 1 75 75 ALA CA C 75 53.999 53.999 55.092 -1.093 25816 8307 1 18 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.402 -1.438 25816 8308 1 18 . 1 1 75 75 ALA H H 75 7.788 7.788 7.848 -0.060 25816 8309 1 18 . 1 1 76 76 ARG N N 76 114.701 114.701 115.258 -0.557 25816 8310 1 18 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.197 -0.112 25816 8311 1 18 . 1 1 76 76 ARG CA C 76 56.982 56.982 56.925 0.057 25816 8312 1 18 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.728 0.956 25816 8313 1 18 . 1 1 76 76 ARG H H 76 7.705 7.705 8.194 -0.489 25816 8314 1 18 . 1 1 77 77 HIS N N 77 112.695 112.695 116.630 -3.935 25816 8315 1 18 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.533 0.277 25816 8316 1 18 . 1 1 77 77 HIS CA C 77 56.161 56.161 57.113 -0.952 25816 8317 1 18 . 1 1 77 77 HIS CB C 77 31.033 31.033 30.861 0.172 25816 8318 1 18 . 1 1 77 77 HIS H H 77 8.123 8.123 7.641 0.482 25816 8319 1 18 . 1 1 78 78 VAL N N 78 119.219 119.219 117.305 1.914 25816 8320 1 18 . 1 1 78 78 VAL HA H 78 3.893 3.893 3.662 0.231 25816 8321 1 18 . 1 1 78 78 VAL CA C 78 63.565 63.565 63.450 0.115 25816 8322 1 18 . 1 1 78 78 VAL CB C 78 29.128 29.128 30.129 -1.001 25816 8323 1 18 . 1 1 78 78 VAL H H 78 8.034 8.034 7.887 0.147 25816 8324 1 18 . 1 1 79 79 ARG N N 79 126.908 126.908 119.898 7.010 25816 8325 1 18 . 1 1 79 79 ARG CA C 79 51.361 51.361 53.207 -1.846 25816 8326 1 18 . 1 1 79 79 ARG CB C 79 30.191 30.191 31.409 -1.218 25816 8327 1 18 . 1 1 79 79 ARG H H 79 7.023 7.023 7.856 -0.833 25816 8328 1 18 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.500 -0.475 25816 8329 1 18 . 1 1 80 80 PRO CA C 80 63.570 63.570 62.773 0.797 25816 8330 1 18 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.052 0.160 25816 8331 1 18 . 1 1 81 81 SER N N 81 115.039 115.039 117.601 -2.562 25816 8332 1 18 . 1 1 81 81 SER HA H 81 4.047 4.047 4.152 -0.105 25816 8333 1 18 . 1 1 81 81 SER CA C 81 60.713 60.713 58.905 1.808 25816 8334 1 18 . 1 1 81 81 SER H H 81 8.210 8.210 8.300 -0.090 25816 8335 1 18 . 1 1 82 82 ALA N N 82 123.546 123.546 128.071 -4.525 25816 8336 1 18 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.723 -0.377 25816 8337 1 18 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.412 0.094 25816 8338 1 18 . 1 1 82 82 ALA CB C 82 19.095 19.095 22.750 -3.655 25816 8339 1 18 . 1 1 82 82 ALA H H 82 7.770 7.770 7.737 0.033 25816 8340 1 18 . 1 1 83 83 SER N N 83 116.753 116.753 118.197 -1.444 25816 8341 1 18 . 1 1 83 83 SER HA H 83 5.129 5.129 5.633 -0.504 25816 8342 1 18 . 1 1 83 83 SER CA C 83 56.582 56.582 56.994 -0.412 25816 8343 1 18 . 1 1 83 83 SER CB C 83 62.554 62.554 64.120 -1.566 25816 8344 1 18 . 1 1 83 83 SER H H 83 8.524 8.524 8.466 0.058 25816 8345 1 18 . 1 1 84 84 ILE N N 84 126.985 126.985 120.890 6.095 25816 8346 1 18 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.378 -2.592 25816 8347 1 18 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.618 -1.194 25816 8348 1 18 . 1 1 84 84 ILE H H 84 9.599 9.599 8.246 1.353 25816 8349 1 18 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.499 0.446 25816 8350 1 18 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.702 -1.148 25816 8351 1 18 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.049 0.378 25816 8352 1 18 . 1 1 86 86 VAL N N 86 123.811 123.811 125.551 -1.740 25816 8353 1 18 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.272 0.577 25816 8354 1 18 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.050 -1.277 25816 8355 1 18 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.186 0.458 25816 8356 1 18 . 1 1 86 86 VAL H H 86 9.033 9.033 7.679 1.354 25816 8357 1 18 . 1 1 87 87 VAL N N 87 127.839 127.839 126.320 1.519 25816 8358 1 18 . 1 1 87 87 VAL HA H 87 4.972 4.972 3.784 1.188 25816 8359 1 18 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.162 -1.469 25816 8360 1 18 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.110 0.308 25816 8361 1 18 . 1 1 87 87 VAL H H 87 9.132 9.132 8.411 0.721 25816 8362 1 18 . 1 1 88 88 PHE N N 88 127.301 127.301 125.795 1.506 25816 8363 1 18 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.469 0.149 25816 8364 1 18 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.154 -0.943 25816 8365 1 18 . 1 1 88 88 PHE CB C 88 41.002 41.002 41.881 -0.879 25816 8366 1 18 . 1 1 88 88 PHE H H 88 9.248 9.248 7.684 1.564 25816 8367 1 18 . 1 1 89 89 SER N N 89 113.734 113.734 113.152 0.582 25816 8368 1 18 . 1 1 89 89 SER HA H 89 5.336 5.336 5.255 0.081 25816 8369 1 18 . 1 1 89 89 SER CA C 89 54.452 54.452 57.633 -3.181 25816 8370 1 18 . 1 1 89 89 SER CB C 89 64.474 64.474 66.573 -2.099 25816 8371 1 18 . 1 1 89 89 SER H H 89 9.689 9.689 8.257 1.432 25816 8372 1 18 . 1 1 90 90 ARG N N 90 128.114 128.114 123.792 4.322 25816 8373 1 18 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.606 0.141 25816 8374 1 18 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.385 -1.263 25816 8375 1 18 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.216 1.120 25816 8376 1 18 . 1 1 90 90 ARG H H 90 8.561 8.561 8.244 0.317 25816 8377 1 18 . 1 1 91 91 ASP N N 91 129.790 129.790 122.284 7.506 25816 8378 1 18 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.366 -0.097 25816 8379 1 18 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.437 -0.936 25816 8380 1 18 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.775 0.306 25816 8381 1 18 . 1 1 91 91 ASP H H 91 9.461 9.461 9.299 0.162 25816 8382 1 18 . 1 1 92 92 GLY N N 92 102.404 102.404 102.303 0.101 25816 8383 1 18 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.984 -0.679 25816 8384 1 18 . 1 1 92 92 GLY H H 92 8.391 8.391 8.378 0.013 25816 8385 1 18 . 1 1 93 93 VAL N N 93 123.090 123.090 121.298 1.792 25816 8386 1 18 . 1 1 93 93 VAL HA H 93 4.002 4.002 4.076 -0.074 25816 8387 1 18 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.173 -1.907 25816 8388 1 18 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.491 -0.673 25816 8389 1 18 . 1 1 93 93 VAL H H 93 7.682 7.682 7.007 0.675 25816 8390 1 18 . 1 1 94 94 VAL N N 94 128.414 128.414 127.628 0.786 25816 8391 1 18 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.329 -0.195 25816 8392 1 18 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.578 1.762 25816 8393 1 18 . 1 1 94 94 VAL CB C 94 30.116 30.116 33.012 -2.896 25816 8394 1 18 . 1 1 94 94 VAL H H 94 8.400 8.400 8.230 0.170 25816 8395 1 18 . 1 1 95 95 MET N N 95 129.196 129.196 129.315 -0.119 25816 8396 1 18 . 1 1 95 95 MET HA H 95 4.352 4.352 4.853 -0.501 25816 8397 1 18 . 1 1 95 95 MET CA C 95 53.674 53.674 54.038 -0.363 25816 8398 1 18 . 1 1 95 95 MET CB C 95 36.104 36.104 36.997 -0.893 25816 8399 1 18 . 1 1 95 95 MET H H 95 9.100 9.100 8.361 0.739 25816 8400 1 18 . 1 1 96 96 SER N N 96 111.540 111.540 115.565 -4.025 25816 8401 1 18 . 1 1 96 96 SER HA H 96 5.469 5.469 4.634 0.835 25816 8402 1 18 . 1 1 96 96 SER CA C 96 55.830 55.830 57.141 -1.311 25816 8403 1 18 . 1 1 96 96 SER CB C 96 65.471 65.471 64.879 0.592 25816 8404 1 18 . 1 1 96 96 SER H H 96 8.004 8.004 8.264 -0.260 25816 8405 1 18 . 1 1 97 97 ALA N N 97 124.079 124.079 127.775 -3.696 25816 8406 1 18 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.652 0.136 25816 8407 1 18 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.835 -1.436 25816 8408 1 18 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.036 0.508 25816 8409 1 18 . 1 1 97 97 ALA H H 97 9.145 9.145 7.742 1.403 25816 8410 1 18 . 1 1 98 98 THR N N 98 117.342 117.342 118.262 -0.920 25816 8411 1 18 . 1 1 98 98 THR HA H 98 4.823 4.823 4.507 0.316 25816 8412 1 18 . 1 1 98 98 THR CA C 98 61.053 61.053 61.998 -0.945 25816 8413 1 18 . 1 1 98 98 THR CB C 98 69.913 69.913 69.318 0.595 25816 8414 1 18 . 1 1 98 98 THR H H 98 8.754 8.754 8.368 0.386 25816 8415 1 18 . 1 1 99 99 ILE N N 99 125.689 125.689 126.591 -0.902 25816 8416 1 18 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.390 -0.279 25816 8417 1 18 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.927 -1.558 25816 8418 1 18 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.041 0.650 25816 8419 1 18 . 1 1 99 99 ILE H H 99 8.868 8.868 8.058 0.810 25816 8420 1 18 . 1 1 100 100 VAL N N 100 129.871 129.871 125.215 4.656 25816 8421 1 18 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.809 -0.143 25816 8422 1 18 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.604 0.263 25816 8423 1 18 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.008 -1.398 25816 8424 1 18 . 1 1 100 100 VAL H H 100 8.818 8.818 8.704 0.114 25816 8425 1 18 . 1 1 101 101 VAL N N 101 128.299 128.299 127.334 0.965 25816 8426 1 18 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.261 -0.892 25816 8427 1 18 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.575 1.752 25816 8428 1 18 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.818 -0.844 25816 8429 1 18 . 1 1 101 101 VAL H H 101 8.795 8.795 7.786 1.009 25816 8430 1 18 . 1 1 102 102 GLY N N 102 115.466 115.466 116.206 -0.740 25816 8431 1 18 . 1 1 102 102 GLY CA C 102 43.680 43.680 43.971 -0.291 25816 8432 1 18 . 1 1 102 102 GLY H H 102 8.393 8.393 8.629 -0.236 25816 8433 1 18 . 1 1 103 103 GLU N N 103 119.459 119.459 120.979 -1.520 25816 8434 1 18 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.085 0.870 25816 8435 1 18 . 1 1 103 103 GLU CA C 103 54.746 54.746 58.192 -3.446 25816 8436 1 18 . 1 1 103 103 GLU CB C 103 32.201 32.201 29.765 2.436 25816 8437 1 18 . 1 1 103 103 GLU H H 103 8.386 8.386 8.283 0.103 25816 8438 1 18 . 1 1 104 104 LEU N N 104 123.881 123.881 121.366 2.515 25816 8439 1 18 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.557 0.143 25816 8440 1 18 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.085 -1.518 25816 8441 1 18 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.814 1.244 25816 8442 1 18 . 1 1 104 104 LEU H H 104 8.735 8.735 7.791 0.944 25816 8443 1 19 . 1 1 2 2 LEU N N 2 122.611 122.611 125.479 -2.868 25816 8444 1 19 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.572 -0.180 25816 8445 1 19 . 1 1 2 2 LEU CA C 2 54.332 54.332 54.528 -0.196 25816 8446 1 19 . 1 1 2 2 LEU CB C 2 41.317 41.317 40.253 1.064 25816 8447 1 19 . 1 1 2 2 LEU H H 2 8.535 8.535 8.360 0.175 25816 8448 1 19 . 1 1 3 3 THR N N 3 112.475 112.475 114.078 -1.603 25816 8449 1 19 . 1 1 3 3 THR HA H 3 4.777 4.777 4.695 0.082 25816 8450 1 19 . 1 1 3 3 THR CA C 3 59.259 59.259 61.296 -2.037 25816 8451 1 19 . 1 1 3 3 THR CB C 3 70.185 70.185 71.256 -1.071 25816 8452 1 19 . 1 1 3 3 THR H H 3 7.903 7.903 7.832 0.071 25816 8453 1 19 . 1 1 4 4 ARG N N 4 120.183 120.183 121.020 -0.837 25816 8454 1 19 . 1 1 4 4 ARG H H 4 8.809 8.809 8.493 0.316 25816 8455 1 19 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.713 -0.341 25816 8456 1 19 . 1 1 5 5 PRO CA C 5 65.017 65.017 63.077 1.940 25816 8457 1 19 . 1 1 5 5 PRO CB C 5 31.588 31.588 31.097 0.491 25816 8458 1 19 . 1 1 6 6 TYR N N 6 120.727 120.727 123.741 -3.014 25816 8459 1 19 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.636 -0.002 25816 8460 1 19 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.263 -1.187 25816 8461 1 19 . 1 1 6 6 TYR CB C 6 41.054 41.054 41.737 -0.683 25816 8462 1 19 . 1 1 6 6 TYR H H 6 7.530 7.530 7.875 -0.345 25816 8463 1 19 . 1 1 7 7 LEU N N 7 126.575 126.575 122.309 4.266 25816 8464 1 19 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.205 0.203 25816 8465 1 19 . 1 1 7 7 LEU H H 7 8.500 8.500 8.222 0.278 25816 8466 1 19 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.367 0.340 25816 8467 1 19 . 1 1 9 9 PHE N N 9 114.612 114.612 117.884 -3.272 25816 8468 1 19 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.031 0.327 25816 8469 1 19 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.721 -0.459 25816 8470 1 19 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.254 -0.800 25816 8471 1 19 . 1 1 9 9 PHE H H 9 7.102 7.102 7.755 -0.653 25816 8472 1 19 . 1 1 10 10 ARG N N 10 117.800 117.800 120.464 -2.664 25816 8473 1 19 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.526 0.145 25816 8474 1 19 . 1 1 10 10 ARG CA C 10 53.399 53.399 55.075 -1.676 25816 8475 1 19 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.927 0.888 25816 8476 1 19 . 1 1 10 10 ARG H H 10 8.206 8.206 8.499 -0.293 25816 8477 1 19 . 1 1 11 11 VAL N N 11 117.216 117.216 122.240 -5.024 25816 8478 1 19 . 1 1 11 11 VAL HA H 11 5.167 5.167 4.781 0.386 25816 8479 1 19 . 1 1 11 11 VAL CA C 11 58.190 58.190 59.992 -1.802 25816 8480 1 19 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.688 -0.813 25816 8481 1 19 . 1 1 11 11 VAL H H 11 8.601 8.601 8.385 0.216 25816 8482 1 19 . 1 1 12 12 ALA N N 12 123.025 123.025 131.821 -8.796 25816 8483 1 19 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.816 -0.236 25816 8484 1 19 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.689 -1.146 25816 8485 1 19 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.916 0.866 25816 8486 1 19 . 1 1 12 12 ALA H H 12 8.861 8.861 8.142 0.719 25816 8487 1 19 . 1 1 13 13 VAL N N 13 121.395 121.395 124.395 -3.000 25816 8488 1 19 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.147 0.404 25816 8489 1 19 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.919 -0.636 25816 8490 1 19 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.304 -0.610 25816 8491 1 19 . 1 1 13 13 VAL H H 13 8.585 8.585 8.714 -0.129 25816 8492 1 19 . 1 1 14 14 GLY N N 14 117.546 117.546 116.580 0.966 25816 8493 1 19 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.757 -2.373 25816 8494 1 19 . 1 1 14 14 GLY H H 14 8.789 8.789 8.042 0.747 25816 8495 1 19 . 1 1 15 15 ARG N N 15 120.075 120.075 121.215 -1.140 25816 8496 1 19 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.734 0.376 25816 8497 1 19 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.195 -1.302 25816 8498 1 19 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.920 -0.164 25816 8499 1 19 . 1 1 15 15 ARG H H 15 8.299 8.299 8.306 -0.007 25816 8500 1 19 . 1 1 16 16 ASP N N 16 123.872 123.872 122.215 1.657 25816 8501 1 19 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.626 0.119 25816 8502 1 19 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.544 -1.173 25816 8503 1 19 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.527 -0.775 25816 8504 1 19 . 1 1 16 16 ASP H H 16 8.619 8.619 8.263 0.356 25816 8505 1 19 . 1 1 17 17 SER N N 17 114.309 114.309 112.958 1.351 25816 8506 1 19 . 1 1 17 17 SER HA H 17 4.196 4.196 4.195 0.001 25816 8507 1 19 . 1 1 17 17 SER CA C 17 59.950 59.950 60.603 -0.653 25816 8508 1 19 . 1 1 17 17 SER CB C 17 61.825 61.825 63.377 -1.552 25816 8509 1 19 . 1 1 17 17 SER H H 17 8.624 8.624 8.286 0.338 25816 8510 1 19 . 1 1 18 18 SER N N 18 117.903 117.903 115.128 2.775 25816 8511 1 19 . 1 1 18 18 SER HA H 18 4.597 4.597 4.300 0.297 25816 8512 1 19 . 1 1 18 18 SER CA C 18 57.732 57.732 59.485 -1.753 25816 8513 1 19 . 1 1 18 18 SER CB C 18 63.470 63.470 63.693 -0.223 25816 8514 1 19 . 1 1 18 18 SER H H 18 8.385 8.385 7.784 0.601 25816 8515 1 19 . 1 1 19 19 GLY N N 19 109.883 109.883 108.971 0.912 25816 8516 1 19 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.904 -0.733 25816 8517 1 19 . 1 1 19 19 GLY H H 19 8.214 8.214 8.582 -0.368 25816 8518 1 19 . 1 1 20 20 CYS N N 20 122.167 122.167 119.048 3.119 25816 8519 1 19 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.729 -0.241 25816 8520 1 19 . 1 1 20 20 CYS CA C 20 58.037 58.037 59.543 -1.506 25816 8521 1 19 . 1 1 20 20 CYS CB C 20 26.685 26.685 30.550 -3.865 25816 8522 1 19 . 1 1 20 20 CYS H H 20 8.286 8.286 8.233 0.053 25816 8523 1 19 . 1 1 21 21 THR N N 21 119.387 119.387 115.510 3.877 25816 8524 1 19 . 1 1 21 21 THR HA H 21 4.764 4.764 4.718 0.046 25816 8525 1 19 . 1 1 21 21 THR CA C 21 61.953 61.953 62.134 -0.181 25816 8526 1 19 . 1 1 21 21 THR CB C 21 68.795 68.795 70.456 -1.661 25816 8527 1 19 . 1 1 21 21 THR H H 21 8.626 8.626 7.997 0.629 25816 8528 1 19 . 1 1 22 22 THR N N 22 116.611 116.611 115.883 0.728 25816 8529 1 19 . 1 1 22 22 THR HA H 22 4.513 4.513 4.762 -0.249 25816 8530 1 19 . 1 1 22 22 THR CA C 22 58.918 58.918 60.917 -1.999 25816 8531 1 19 . 1 1 22 22 THR CB C 22 71.128 71.128 71.586 -0.458 25816 8532 1 19 . 1 1 22 22 THR H H 22 8.343 8.343 8.214 0.129 25816 8533 1 19 . 1 1 23 23 LEU N N 23 122.893 122.893 126.917 -4.024 25816 8534 1 19 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.080 -0.148 25816 8535 1 19 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.852 -1.365 25816 8536 1 19 . 1 1 23 23 LEU CB C 23 42.265 42.265 43.243 -0.978 25816 8537 1 19 . 1 1 23 23 LEU H H 23 9.157 9.157 8.798 0.359 25816 8538 1 19 . 1 1 24 24 SER N N 24 116.771 116.771 120.135 -3.364 25816 8539 1 19 . 1 1 24 24 SER HA H 24 5.173 5.173 4.614 0.559 25816 8540 1 19 . 1 1 24 24 SER CA C 24 55.247 55.247 57.980 -2.733 25816 8541 1 19 . 1 1 24 24 SER CB C 24 64.841 64.841 63.631 1.210 25816 8542 1 19 . 1 1 24 24 SER H H 24 8.656 8.656 8.129 0.527 25816 8543 1 19 . 1 1 25 25 ILE N N 25 122.747 122.747 125.994 -3.247 25816 8544 1 19 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.711 -0.680 25816 8545 1 19 . 1 1 25 25 ILE CA C 25 61.270 61.270 60.810 0.460 25816 8546 1 19 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.711 -3.062 25816 8547 1 19 . 1 1 25 25 ILE H H 25 9.023 9.023 8.886 0.137 25816 8548 1 19 . 1 1 26 26 GLN N N 26 129.779 129.779 126.906 2.873 25816 8549 1 19 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.171 0.258 25816 8550 1 19 . 1 1 26 26 GLN CA C 26 54.587 54.587 58.020 -3.433 25816 8551 1 19 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.188 1.088 25816 8552 1 19 . 1 1 26 26 GLN H H 26 9.093 9.093 8.449 0.644 25816 8553 1 19 . 1 1 27 27 GLU N N 27 118.722 118.722 117.194 1.528 25816 8554 1 19 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.822 0.142 25816 8555 1 19 . 1 1 27 27 GLU CB C 27 33.022 33.022 32.787 0.235 25816 8556 1 19 . 1 1 27 27 GLU H H 27 7.479 7.479 7.812 -0.333 25816 8557 1 19 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.395 0.048 25816 8558 1 19 . 1 1 28 28 VAL CA C 28 61.155 61.155 60.613 0.542 25816 8559 1 19 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.765 1.915 25816 8560 1 19 . 1 1 29 29 THR N N 29 124.459 124.459 117.343 7.116 25816 8561 1 19 . 1 1 29 29 THR HA H 29 4.183 4.183 4.262 -0.079 25816 8562 1 19 . 1 1 29 29 THR CA C 29 62.474 62.474 62.676 -0.202 25816 8563 1 19 . 1 1 29 29 THR CB C 29 68.811 68.811 68.606 0.205 25816 8564 1 19 . 1 1 29 29 THR H H 29 8.009 8.009 8.389 -0.380 25816 8565 1 19 . 1 1 30 30 GLN N N 30 130.053 130.053 121.601 8.452 25816 8566 1 19 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.357 -0.835 25816 8567 1 19 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.396 2.490 25816 8568 1 19 . 1 1 30 30 GLN CB C 30 27.305 27.305 26.663 0.642 25816 8569 1 19 . 1 1 30 30 GLN H H 30 9.321 9.321 8.423 0.898 25816 8570 1 19 . 1 1 31 31 THR N N 31 111.234 111.234 109.517 1.717 25816 8571 1 19 . 1 1 31 31 THR HA H 31 5.509 5.509 4.842 0.667 25816 8572 1 19 . 1 1 31 31 THR CA C 31 58.798 58.798 61.636 -2.838 25816 8573 1 19 . 1 1 31 31 THR CB C 31 71.374 71.374 70.156 1.218 25816 8574 1 19 . 1 1 31 31 THR H H 31 7.630 7.630 8.200 -0.570 25816 8575 1 19 . 1 1 32 32 TYR N N 32 121.998 121.998 120.973 1.025 25816 8576 1 19 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.753 0.050 25816 8577 1 19 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.423 -2.624 25816 8578 1 19 . 1 1 32 32 TYR CB C 32 39.718 39.718 42.186 -2.468 25816 8579 1 19 . 1 1 32 32 TYR H H 32 9.359 9.359 8.003 1.356 25816 8580 1 19 . 1 1 33 33 THR N N 33 114.039 114.039 115.270 -1.231 25816 8581 1 19 . 1 1 33 33 THR HA H 33 4.390 4.390 4.578 -0.188 25816 8582 1 19 . 1 1 33 33 THR CA C 33 59.896 59.896 60.087 -0.191 25816 8583 1 19 . 1 1 33 33 THR CB C 33 69.135 69.135 71.414 -2.279 25816 8584 1 19 . 1 1 33 33 THR H H 33 7.985 7.985 8.716 -0.731 25816 8585 1 19 . 1 1 34 34 GLY N N 34 113.445 113.445 107.730 5.715 25816 8586 1 19 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.281 -1.209 25816 8587 1 19 . 1 1 34 34 GLY H H 34 8.698 8.698 8.160 0.538 25816 8588 1 19 . 1 1 35 35 SER N N 35 113.837 113.837 113.614 0.223 25816 8589 1 19 . 1 1 35 35 SER HA H 35 4.264 4.264 3.973 0.291 25816 8590 1 19 . 1 1 35 35 SER CA C 35 57.651 57.651 58.904 -1.253 25816 8591 1 19 . 1 1 35 35 SER CB C 35 63.056 63.056 63.202 -0.146 25816 8592 1 19 . 1 1 35 35 SER H H 35 8.039 8.039 8.555 -0.516 25816 8593 1 19 . 1 1 36 36 ASN N N 36 119.749 119.749 120.580 -0.831 25816 8594 1 19 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.479 0.105 25816 8595 1 19 . 1 1 36 36 ASN CA C 36 52.781 52.781 55.192 -2.411 25816 8596 1 19 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.108 -0.922 25816 8597 1 19 . 1 1 36 36 ASN H H 36 8.767 8.767 8.760 0.007 25816 8598 1 19 . 1 1 37 37 GLY N N 37 110.628 110.628 106.114 4.514 25816 8599 1 19 . 1 1 37 37 GLY CA C 37 44.585 44.585 46.118 -1.533 25816 8600 1 19 . 1 1 37 37 GLY H H 37 8.496 8.496 8.105 0.391 25816 8601 1 19 . 1 1 38 38 GLY N N 38 108.654 108.654 106.448 2.206 25816 8602 1 19 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.955 -1.855 25816 8603 1 19 . 1 1 38 38 GLY H H 38 7.955 7.955 7.885 0.070 25816 8604 1 19 . 1 1 39 39 ALA N N 39 123.326 123.326 120.341 2.985 25816 8605 1 19 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.523 -0.312 25816 8606 1 19 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.875 -2.037 25816 8607 1 19 . 1 1 39 39 ALA CB C 39 18.729 18.729 20.445 -1.716 25816 8608 1 19 . 1 1 39 39 ALA H H 39 8.028 8.028 8.153 -0.125 25816 8609 1 19 . 1 1 40 40 ASP N N 40 119.573 119.573 116.898 2.675 25816 8610 1 19 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.793 -0.406 25816 8611 1 19 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.086 -0.092 25816 8612 1 19 . 1 1 40 40 ASP CB C 40 39.627 39.627 42.790 -3.163 25816 8613 1 19 . 1 1 40 40 ASP H H 40 8.261 8.261 7.879 0.382 25816 8614 1 19 . 1 1 41 41 LEU N N 41 123.899 123.899 121.243 2.656 25816 8615 1 19 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.488 -0.046 25816 8616 1 19 . 1 1 41 41 LEU CA C 41 52.221 52.221 55.257 -3.036 25816 8617 1 19 . 1 1 41 41 LEU CB C 41 43.009 43.009 45.965 -2.956 25816 8618 1 19 . 1 1 41 41 LEU H H 41 8.663 8.663 7.968 0.695 25816 8619 1 19 . 1 1 42 42 MET N N 42 119.684 119.684 121.333 -1.649 25816 8620 1 19 . 1 1 42 42 MET HA H 42 4.730 4.730 4.708 0.022 25816 8621 1 19 . 1 1 42 42 MET CA C 42 54.695 54.695 56.197 -1.502 25816 8622 1 19 . 1 1 42 42 MET CB C 42 32.194 32.194 32.072 0.122 25816 8623 1 19 . 1 1 42 42 MET H H 42 8.553 8.553 8.569 -0.016 25816 8624 1 19 . 1 1 43 43 GLY N N 43 113.052 113.052 111.680 1.372 25816 8625 1 19 . 1 1 43 43 GLY CA C 43 43.378 43.378 45.647 -2.269 25816 8626 1 19 . 1 1 43 43 GLY H H 43 8.618 8.618 8.496 0.122 25816 8627 1 19 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.570 0.150 25816 8628 1 19 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.064 -2.833 25816 8629 1 19 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.243 0.710 25816 8630 1 19 . 1 1 45 45 ALA N N 45 120.693 120.693 123.284 -2.591 25816 8631 1 19 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.155 -0.171 25816 8632 1 19 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.783 -0.979 25816 8633 1 19 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.297 -0.330 25816 8634 1 19 . 1 1 45 45 ALA H H 45 7.524 7.524 7.726 -0.202 25816 8635 1 19 . 1 1 46 46 PHE N N 46 122.306 122.306 117.346 4.960 25816 8636 1 19 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.517 -0.555 25816 8637 1 19 . 1 1 46 46 PHE CA C 46 60.326 60.326 58.629 1.697 25816 8638 1 19 . 1 1 46 46 PHE CB C 46 38.620 38.620 40.827 -2.207 25816 8639 1 19 . 1 1 46 46 PHE H H 46 8.603 8.603 7.661 0.942 25816 8640 1 19 . 1 1 47 47 ALA N N 47 123.253 123.253 122.219 1.034 25816 8641 1 19 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.190 -0.102 25816 8642 1 19 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.240 -0.289 25816 8643 1 19 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.560 -0.913 25816 8644 1 19 . 1 1 47 47 ALA H H 47 9.199 9.199 8.007 1.192 25816 8645 1 19 . 1 1 48 48 ALA N N 48 117.571 117.571 119.247 -1.676 25816 8646 1 19 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.361 -0.058 25816 8647 1 19 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.711 -0.023 25816 8648 1 19 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.629 -0.857 25816 8649 1 19 . 1 1 48 48 ALA H H 48 7.262 7.262 7.397 -0.135 25816 8650 1 19 . 1 1 49 49 GLY N N 49 103.229 103.229 106.667 -3.438 25816 8651 1 19 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.912 -1.293 25816 8652 1 19 . 1 1 49 49 GLY H H 49 7.461 7.461 7.893 -0.432 25816 8653 1 19 . 1 1 50 50 LEU N N 50 120.470 120.470 120.605 -0.135 25816 8654 1 19 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.213 -0.695 25816 8655 1 19 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.457 -1.045 25816 8656 1 19 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.395 -0.440 25816 8657 1 19 . 1 1 50 50 LEU H H 50 7.224 7.224 7.859 -0.635 25816 8658 1 19 . 1 1 51 51 ARG N N 51 119.645 119.645 123.434 -3.789 25816 8659 1 19 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.875 -1.384 25816 8660 1 19 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.543 -0.727 25816 8661 1 19 . 1 1 51 51 ARG H H 51 8.678 8.678 8.115 0.563 25816 8662 1 19 . 1 1 52 52 VAL N N 52 119.995 119.995 118.501 1.494 25816 8663 1 19 . 1 1 52 52 VAL HA H 52 3.223 3.223 4.002 -0.779 25816 8664 1 19 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.399 0.819 25816 8665 1 19 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.334 -1.185 25816 8666 1 19 . 1 1 52 52 VAL H H 52 8.482 8.482 8.333 0.149 25816 8667 1 19 . 1 1 53 53 GLY N N 53 117.052 117.052 114.909 2.143 25816 8668 1 19 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.928 -1.503 25816 8669 1 19 . 1 1 53 53 GLY H H 53 9.122 9.122 9.079 0.043 25816 8670 1 19 . 1 1 54 54 ASP N N 54 124.203 124.203 121.529 2.674 25816 8671 1 19 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.019 -0.186 25816 8672 1 19 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.783 0.951 25816 8673 1 19 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.053 -1.774 25816 8674 1 19 . 1 1 54 54 ASP H H 54 7.848 7.848 7.703 0.145 25816 8675 1 19 . 1 1 55 55 GLN N N 55 121.703 121.703 122.187 -0.484 25816 8676 1 19 . 1 1 55 55 GLN HA H 55 4.867 4.867 5.215 -0.348 25816 8677 1 19 . 1 1 55 55 GLN CA C 55 53.526 53.526 54.970 -1.444 25816 8678 1 19 . 1 1 55 55 GLN CB C 55 29.032 29.032 31.469 -2.437 25816 8679 1 19 . 1 1 55 55 GLN H H 55 9.158 9.158 8.381 0.777 25816 8680 1 19 . 1 1 56 56 LEU N N 56 124.733 124.733 123.840 0.893 25816 8681 1 19 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.686 -0.499 25816 8682 1 19 . 1 1 56 56 LEU CA C 56 55.195 55.195 53.862 1.333 25816 8683 1 19 . 1 1 56 56 LEU CB C 56 42.013 42.013 43.319 -1.306 25816 8684 1 19 . 1 1 56 56 LEU H H 56 8.770 8.770 8.262 0.508 25816 8685 1 19 . 1 1 57 57 VAL N N 57 123.383 123.383 120.492 2.891 25816 8686 1 19 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.280 0.028 25816 8687 1 19 . 1 1 57 57 VAL CA C 57 63.143 63.143 62.963 0.180 25816 8688 1 19 . 1 1 57 57 VAL CB C 57 32.635 32.635 32.674 -0.039 25816 8689 1 19 . 1 1 57 57 VAL H H 57 8.889 8.889 8.138 0.751 25816 8690 1 19 . 1 1 58 58 ARG N N 58 118.094 118.094 119.292 -1.198 25816 8691 1 19 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.015 1.323 25816 8692 1 19 . 1 1 58 58 ARG CA C 58 54.212 54.212 59.167 -4.955 25816 8693 1 19 . 1 1 58 58 ARG CB C 58 34.613 34.613 29.352 5.261 25816 8694 1 19 . 1 1 58 58 ARG H H 58 8.531 8.531 8.388 0.143 25816 8695 1 19 . 1 1 59 59 PHE N N 59 123.332 123.332 120.573 2.759 25816 8696 1 19 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.764 0.171 25816 8697 1 19 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.708 1.148 25816 8698 1 19 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.505 1.466 25816 8699 1 19 . 1 1 59 59 PHE H H 59 9.295 9.295 8.216 1.079 25816 8700 1 19 . 1 1 60 60 ALA N N 60 127.537 127.537 127.748 -0.211 25816 8701 1 19 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.746 -0.159 25816 8702 1 19 . 1 1 60 60 ALA CA C 60 52.374 52.374 53.012 -0.638 25816 8703 1 19 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.644 -2.171 25816 8704 1 19 . 1 1 60 60 ALA H H 60 8.356 8.356 8.105 0.251 25816 8705 1 19 . 1 1 61 61 GLY N N 61 103.058 103.058 110.533 -7.475 25816 8706 1 19 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.702 -0.915 25816 8707 1 19 . 1 1 61 61 GLY H H 61 9.178 9.178 7.739 1.440 25816 8708 1 19 . 1 1 62 62 TYR N N 62 120.218 120.218 116.366 3.852 25816 8709 1 19 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.203 0.427 25816 8710 1 19 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.476 -1.899 25816 8711 1 19 . 1 1 62 62 TYR CB C 62 38.892 38.892 36.385 2.507 25816 8712 1 19 . 1 1 62 62 TYR H H 62 7.888 7.888 7.306 0.582 25816 8713 1 19 . 1 1 63 63 THR N N 63 120.933 120.933 113.714 7.219 25816 8714 1 19 . 1 1 63 63 THR HA H 63 4.479 4.479 4.566 -0.087 25816 8715 1 19 . 1 1 63 63 THR CA C 63 62.851 62.851 62.178 0.673 25816 8716 1 19 . 1 1 63 63 THR CB C 63 67.848 67.848 69.823 -1.975 25816 8717 1 19 . 1 1 63 63 THR H H 63 9.108 9.108 8.368 0.740 25816 8718 1 19 . 1 1 64 64 VAL N N 64 121.039 121.039 127.198 -6.159 25816 8719 1 19 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.534 0.065 25816 8720 1 19 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.386 -1.519 25816 8721 1 19 . 1 1 64 64 VAL CB C 64 33.004 33.004 33.908 -0.904 25816 8722 1 19 . 1 1 64 64 VAL H H 64 7.782 7.782 8.120 -0.338 25816 8723 1 19 . 1 1 65 65 THR N N 65 114.373 114.373 117.387 -3.014 25816 8724 1 19 . 1 1 65 65 THR HA H 65 4.452 4.452 4.290 0.162 25816 8725 1 19 . 1 1 65 65 THR CA C 65 60.536 60.536 63.771 -3.235 25816 8726 1 19 . 1 1 65 65 THR CB C 65 69.037 69.037 69.444 -0.406 25816 8727 1 19 . 1 1 65 65 THR H H 65 9.053 9.053 8.487 0.566 25816 8728 1 19 . 1 1 66 66 GLU N N 66 115.766 115.766 118.447 -2.681 25816 8729 1 19 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.467 0.096 25816 8730 1 19 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.461 -2.074 25816 8731 1 19 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.375 0.190 25816 8732 1 19 . 1 1 66 66 GLU H H 66 7.345 7.345 7.781 -0.436 25816 8733 1 19 . 1 1 67 67 LEU N N 67 124.674 124.674 116.409 8.265 25816 8734 1 19 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.547 -0.613 25816 8735 1 19 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.660 -0.126 25816 8736 1 19 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.256 -0.203 25816 8737 1 19 . 1 1 67 67 LEU H H 67 8.906 8.906 8.619 0.287 25816 8738 1 19 . 1 1 68 68 ALA N N 68 120.493 120.493 122.087 -1.594 25816 8739 1 19 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.992 0.144 25816 8740 1 19 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.151 -0.477 25816 8741 1 19 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.757 -1.236 25816 8742 1 19 . 1 1 68 68 ALA H H 68 9.022 9.022 8.168 0.854 25816 8743 1 19 . 1 1 69 69 ALA N N 69 119.695 119.695 121.731 -2.036 25816 8744 1 19 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.208 -0.046 25816 8745 1 19 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.720 -0.700 25816 8746 1 19 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.524 -0.861 25816 8747 1 19 . 1 1 69 69 ALA H H 69 7.258 7.258 7.597 -0.339 25816 8748 1 19 . 1 1 70 70 PHE N N 70 119.274 119.274 118.870 0.404 25816 8749 1 19 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.223 -0.264 25816 8750 1 19 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.493 0.466 25816 8751 1 19 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.441 -1.009 25816 8752 1 19 . 1 1 70 70 PHE H H 70 7.769 7.769 7.801 -0.032 25816 8753 1 19 . 1 1 71 71 ASN N N 71 117.363 117.363 118.443 -1.080 25816 8754 1 19 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.306 -0.204 25816 8755 1 19 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.462 -1.765 25816 8756 1 19 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.865 -2.792 25816 8757 1 19 . 1 1 71 71 ASN H H 71 8.801 8.801 8.610 0.191 25816 8758 1 19 . 1 1 72 72 THR N N 72 119.746 119.746 114.818 4.928 25816 8759 1 19 . 1 1 72 72 THR HA H 72 4.220 4.220 4.016 0.204 25816 8760 1 19 . 1 1 72 72 THR CA C 72 65.927 65.927 66.079 -0.152 25816 8761 1 19 . 1 1 72 72 THR CB C 72 67.600 67.600 68.931 -1.331 25816 8762 1 19 . 1 1 72 72 THR H H 72 8.109 8.109 7.896 0.213 25816 8763 1 19 . 1 1 73 73 VAL N N 73 123.156 123.156 119.787 3.369 25816 8764 1 19 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.472 -0.017 25816 8765 1 19 . 1 1 73 73 VAL CA C 73 66.156 66.156 65.704 0.452 25816 8766 1 19 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.012 -0.676 25816 8767 1 19 . 1 1 73 73 VAL H H 73 7.744 7.744 7.758 -0.014 25816 8768 1 19 . 1 1 74 74 VAL N N 74 120.420 120.420 120.061 0.359 25816 8769 1 19 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.534 -0.168 25816 8770 1 19 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.385 0.213 25816 8771 1 19 . 1 1 74 74 VAL CB C 74 30.485 30.485 30.974 -0.489 25816 8772 1 19 . 1 1 74 74 VAL H H 74 8.154 8.154 7.428 0.726 25816 8773 1 19 . 1 1 75 75 ALA N N 75 120.206 120.206 120.436 -0.230 25816 8774 1 19 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.063 -0.068 25816 8775 1 19 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.337 -0.338 25816 8776 1 19 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.705 -1.741 25816 8777 1 19 . 1 1 75 75 ALA H H 75 7.788 7.788 7.662 0.126 25816 8778 1 19 . 1 1 76 76 ARG N N 76 114.701 114.701 116.795 -2.094 25816 8779 1 19 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.019 0.066 25816 8780 1 19 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.855 -0.873 25816 8781 1 19 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.994 0.690 25816 8782 1 19 . 1 1 76 76 ARG H H 76 7.705 7.705 7.881 -0.176 25816 8783 1 19 . 1 1 77 77 HIS N N 77 112.695 112.695 118.578 -5.883 25816 8784 1 19 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.516 0.294 25816 8785 1 19 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.645 1.516 25816 8786 1 19 . 1 1 77 77 HIS CB C 77 31.033 31.033 28.182 2.851 25816 8787 1 19 . 1 1 77 77 HIS H H 77 8.123 8.123 7.513 0.610 25816 8788 1 19 . 1 1 78 78 VAL N N 78 119.219 119.219 121.739 -2.520 25816 8789 1 19 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.390 -0.497 25816 8790 1 19 . 1 1 78 78 VAL CA C 78 63.565 63.565 60.336 3.229 25816 8791 1 19 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.705 -2.577 25816 8792 1 19 . 1 1 78 78 VAL H H 78 8.034 8.034 7.607 0.427 25816 8793 1 19 . 1 1 79 79 ARG N N 79 126.908 126.908 121.275 5.633 25816 8794 1 19 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.177 -2.816 25816 8795 1 19 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.533 -0.342 25816 8796 1 19 . 1 1 79 79 ARG H H 79 7.023 7.023 7.781 -0.758 25816 8797 1 19 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.375 -0.350 25816 8798 1 19 . 1 1 80 80 PRO CA C 80 63.570 63.570 64.367 -0.797 25816 8799 1 19 . 1 1 80 80 PRO CB C 80 31.212 31.212 32.041 -0.829 25816 8800 1 19 . 1 1 81 81 SER N N 81 115.039 115.039 111.386 3.653 25816 8801 1 19 . 1 1 81 81 SER HA H 81 4.047 4.047 4.504 -0.457 25816 8802 1 19 . 1 1 81 81 SER CA C 81 60.713 60.713 58.056 2.657 25816 8803 1 19 . 1 1 81 81 SER H H 81 8.210 8.210 7.691 0.519 25816 8804 1 19 . 1 1 82 82 ALA N N 82 123.546 123.546 124.466 -0.920 25816 8805 1 19 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.273 0.073 25816 8806 1 19 . 1 1 82 82 ALA CA C 82 51.506 51.506 52.550 -1.044 25816 8807 1 19 . 1 1 82 82 ALA CB C 82 19.095 19.095 19.481 -0.386 25816 8808 1 19 . 1 1 82 82 ALA H H 82 7.770 7.770 7.445 0.325 25816 8809 1 19 . 1 1 83 83 SER N N 83 116.753 116.753 119.243 -2.490 25816 8810 1 19 . 1 1 83 83 SER HA H 83 5.129 5.129 4.857 0.272 25816 8811 1 19 . 1 1 83 83 SER CA C 83 56.582 56.582 57.631 -1.049 25816 8812 1 19 . 1 1 83 83 SER CB C 83 62.554 62.554 63.298 -0.744 25816 8813 1 19 . 1 1 83 83 SER H H 83 8.524 8.524 8.487 0.037 25816 8814 1 19 . 1 1 84 84 ILE N N 84 126.985 126.985 127.079 -0.094 25816 8815 1 19 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.889 -3.103 25816 8816 1 19 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.565 -1.141 25816 8817 1 19 . 1 1 84 84 ILE H H 84 9.599 9.599 7.958 1.641 25816 8818 1 19 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.460 0.485 25816 8819 1 19 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.643 -1.089 25816 8820 1 19 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.287 0.140 25816 8821 1 19 . 1 1 86 86 VAL N N 86 123.811 123.811 126.410 -2.599 25816 8822 1 19 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.349 0.500 25816 8823 1 19 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.185 -1.412 25816 8824 1 19 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.866 -0.222 25816 8825 1 19 . 1 1 86 86 VAL H H 86 9.033 9.033 7.924 1.109 25816 8826 1 19 . 1 1 87 87 VAL N N 87 127.839 127.839 127.238 0.601 25816 8827 1 19 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.251 0.721 25816 8828 1 19 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.507 -0.814 25816 8829 1 19 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.583 0.835 25816 8830 1 19 . 1 1 87 87 VAL H H 87 9.132 9.132 8.701 0.431 25816 8831 1 19 . 1 1 88 88 PHE N N 88 127.301 127.301 128.264 -0.963 25816 8832 1 19 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.326 0.292 25816 8833 1 19 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.355 -1.144 25816 8834 1 19 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.370 -1.368 25816 8835 1 19 . 1 1 88 88 PHE H H 88 9.248 9.248 8.109 1.139 25816 8836 1 19 . 1 1 89 89 SER N N 89 113.734 113.734 117.130 -3.396 25816 8837 1 19 . 1 1 89 89 SER HA H 89 5.336 5.336 4.713 0.623 25816 8838 1 19 . 1 1 89 89 SER CA C 89 54.452 54.452 56.842 -2.390 25816 8839 1 19 . 1 1 89 89 SER CB C 89 64.474 64.474 66.292 -1.818 25816 8840 1 19 . 1 1 89 89 SER H H 89 9.689 9.689 8.124 1.565 25816 8841 1 19 . 1 1 90 90 ARG N N 90 128.114 128.114 124.154 3.960 25816 8842 1 19 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.626 0.121 25816 8843 1 19 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.116 -0.994 25816 8844 1 19 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.026 1.310 25816 8845 1 19 . 1 1 90 90 ARG H H 90 8.561 8.561 7.882 0.679 25816 8846 1 19 . 1 1 91 91 ASP N N 91 129.790 129.790 123.806 5.984 25816 8847 1 19 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.279 -0.010 25816 8848 1 19 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.194 -0.693 25816 8849 1 19 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.712 0.369 25816 8850 1 19 . 1 1 91 91 ASP H H 91 9.461 9.461 9.450 0.011 25816 8851 1 19 . 1 1 92 92 GLY N N 92 102.404 102.404 103.474 -1.070 25816 8852 1 19 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.017 -0.712 25816 8853 1 19 . 1 1 92 92 GLY H H 92 8.391 8.391 8.144 0.247 25816 8854 1 19 . 1 1 93 93 VAL N N 93 123.090 123.090 122.902 0.188 25816 8855 1 19 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.837 0.165 25816 8856 1 19 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.286 -2.020 25816 8857 1 19 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.114 -0.296 25816 8858 1 19 . 1 1 93 93 VAL H H 93 7.682 7.682 7.049 0.633 25816 8859 1 19 . 1 1 94 94 VAL N N 94 128.414 128.414 127.397 1.017 25816 8860 1 19 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.140 -0.006 25816 8861 1 19 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.070 1.270 25816 8862 1 19 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.307 -2.191 25816 8863 1 19 . 1 1 94 94 VAL H H 94 8.400 8.400 8.159 0.241 25816 8864 1 19 . 1 1 95 95 MET N N 95 129.196 129.196 129.072 0.124 25816 8865 1 19 . 1 1 95 95 MET HA H 95 4.352 4.352 4.819 -0.467 25816 8866 1 19 . 1 1 95 95 MET CA C 95 53.674 53.674 54.116 -0.442 25816 8867 1 19 . 1 1 95 95 MET CB C 95 36.104 36.104 37.167 -1.063 25816 8868 1 19 . 1 1 95 95 MET H H 95 9.100 9.100 8.276 0.824 25816 8869 1 19 . 1 1 96 96 SER N N 96 111.540 111.540 115.905 -4.365 25816 8870 1 19 . 1 1 96 96 SER HA H 96 5.469 5.469 4.848 0.621 25816 8871 1 19 . 1 1 96 96 SER CA C 96 55.830 55.830 57.349 -1.519 25816 8872 1 19 . 1 1 96 96 SER CB C 96 65.471 65.471 64.965 0.506 25816 8873 1 19 . 1 1 96 96 SER H H 96 8.004 8.004 8.360 -0.356 25816 8874 1 19 . 1 1 97 97 ALA N N 97 124.079 124.079 128.187 -4.108 25816 8875 1 19 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.788 0.000 25816 8876 1 19 . 1 1 97 97 ALA CA C 97 50.399 50.399 52.039 -1.640 25816 8877 1 19 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.034 0.510 25816 8878 1 19 . 1 1 97 97 ALA H H 97 9.145 9.145 8.171 0.974 25816 8879 1 19 . 1 1 98 98 THR N N 98 117.342 117.342 119.038 -1.696 25816 8880 1 19 . 1 1 98 98 THR HA H 98 4.823 4.823 4.593 0.230 25816 8881 1 19 . 1 1 98 98 THR CA C 98 61.053 61.053 62.114 -1.061 25816 8882 1 19 . 1 1 98 98 THR CB C 98 69.913 69.913 69.535 0.378 25816 8883 1 19 . 1 1 98 98 THR H H 98 8.754 8.754 8.439 0.315 25816 8884 1 19 . 1 1 99 99 ILE N N 99 125.689 125.689 124.488 1.201 25816 8885 1 19 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.526 -0.415 25816 8886 1 19 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.318 -0.949 25816 8887 1 19 . 1 1 99 99 ILE CB C 99 39.691 39.691 39.054 0.637 25816 8888 1 19 . 1 1 99 99 ILE H H 99 8.868 8.868 8.027 0.841 25816 8889 1 19 . 1 1 100 100 VAL N N 100 129.871 129.871 123.221 6.650 25816 8890 1 19 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.723 -0.057 25816 8891 1 19 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.570 0.297 25816 8892 1 19 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.114 -1.504 25816 8893 1 19 . 1 1 100 100 VAL H H 100 8.818 8.818 8.399 0.419 25816 8894 1 19 . 1 1 101 101 VAL N N 101 128.299 128.299 127.418 0.881 25816 8895 1 19 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.139 -0.770 25816 8896 1 19 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.397 1.930 25816 8897 1 19 . 1 1 101 101 VAL CB C 101 30.974 30.974 32.234 -1.260 25816 8898 1 19 . 1 1 101 101 VAL H H 101 8.795 8.795 7.795 1.000 25816 8899 1 19 . 1 1 102 102 GLY N N 102 115.466 115.466 115.358 0.108 25816 8900 1 19 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.400 -0.720 25816 8901 1 19 . 1 1 102 102 GLY H H 102 8.393 8.393 8.792 -0.399 25816 8902 1 19 . 1 1 103 103 GLU N N 103 119.459 119.459 125.260 -5.801 25816 8903 1 19 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.476 0.479 25816 8904 1 19 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.214 -1.468 25816 8905 1 19 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.079 2.122 25816 8906 1 19 . 1 1 103 103 GLU H H 103 8.386 8.386 8.791 -0.405 25816 8907 1 19 . 1 1 104 104 LEU N N 104 123.881 123.881 116.941 6.940 25816 8908 1 19 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.632 0.068 25816 8909 1 19 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.557 -1.990 25816 8910 1 19 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.082 1.976 25816 8911 1 19 . 1 1 104 104 LEU H H 104 8.735 8.735 7.893 0.842 25816 8912 1 20 . 1 1 2 2 LEU N N 2 122.611 122.611 120.720 1.891 25816 8913 1 20 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.527 -0.135 25816 8914 1 20 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.481 -1.149 25816 8915 1 20 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.499 -1.183 25816 8916 1 20 . 1 1 2 2 LEU H H 2 8.535 8.535 7.644 0.891 25816 8917 1 20 . 1 1 3 3 THR N N 3 112.475 112.475 116.538 -4.063 25816 8918 1 20 . 1 1 3 3 THR HA H 3 4.777 4.777 4.685 0.092 25816 8919 1 20 . 1 1 3 3 THR CA C 3 59.259 59.259 59.550 -0.291 25816 8920 1 20 . 1 1 3 3 THR CB C 3 70.185 70.185 70.831 -0.646 25816 8921 1 20 . 1 1 3 3 THR H H 3 7.903 7.903 7.849 0.054 25816 8922 1 20 . 1 1 4 4 ARG N N 4 120.183 120.183 120.352 -0.169 25816 8923 1 20 . 1 1 4 4 ARG H H 4 8.809 8.809 8.501 0.308 25816 8924 1 20 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.563 -0.191 25816 8925 1 20 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.277 2.740 25816 8926 1 20 . 1 1 5 5 PRO CB C 5 31.588 31.588 32.280 -0.692 25816 8927 1 20 . 1 1 6 6 TYR N N 6 120.727 120.727 117.197 3.530 25816 8928 1 20 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.800 -0.166 25816 8929 1 20 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.187 -1.111 25816 8930 1 20 . 1 1 6 6 TYR CB C 6 41.054 41.054 39.099 1.956 25816 8931 1 20 . 1 1 6 6 TYR H H 6 7.530 7.530 8.126 -0.596 25816 8932 1 20 . 1 1 7 7 LEU N N 7 126.575 126.575 123.458 3.117 25816 8933 1 20 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.859 -0.452 25816 8934 1 20 . 1 1 7 7 LEU H H 7 8.500 8.500 8.536 -0.036 25816 8935 1 20 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.208 0.499 25816 8936 1 20 . 1 1 9 9 PHE N N 9 114.612 114.612 116.477 -1.865 25816 8937 1 20 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.114 0.244 25816 8938 1 20 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.294 -0.032 25816 8939 1 20 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.776 -1.321 25816 8940 1 20 . 1 1 9 9 PHE H H 9 7.102 7.102 7.800 -0.698 25816 8941 1 20 . 1 1 10 10 ARG N N 10 117.800 117.800 120.151 -2.351 25816 8942 1 20 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.597 0.074 25816 8943 1 20 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.680 -1.281 25816 8944 1 20 . 1 1 10 10 ARG CB C 10 33.815 33.815 33.499 0.316 25816 8945 1 20 . 1 1 10 10 ARG H H 10 8.206 8.206 8.584 -0.378 25816 8946 1 20 . 1 1 11 11 VAL N N 11 117.216 117.216 114.364 2.852 25816 8947 1 20 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.226 -0.059 25816 8948 1 20 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.409 -2.219 25816 8949 1 20 . 1 1 11 11 VAL CB C 11 33.875 33.875 35.703 -1.827 25816 8950 1 20 . 1 1 11 11 VAL H H 11 8.601 8.601 8.144 0.457 25816 8951 1 20 . 1 1 12 12 ALA N N 12 123.025 123.025 128.487 -5.462 25816 8952 1 20 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.828 -0.248 25816 8953 1 20 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.727 -1.184 25816 8954 1 20 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.246 1.536 25816 8955 1 20 . 1 1 12 12 ALA H H 12 8.861 8.861 8.155 0.706 25816 8956 1 20 . 1 1 13 13 VAL N N 13 121.395 121.395 123.459 -2.064 25816 8957 1 20 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.003 0.548 25816 8958 1 20 . 1 1 13 13 VAL CA C 13 61.283 61.283 62.837 -1.554 25816 8959 1 20 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.616 -0.922 25816 8960 1 20 . 1 1 13 13 VAL H H 13 8.585 8.585 8.601 -0.016 25816 8961 1 20 . 1 1 14 14 GLY N N 14 117.546 117.546 116.423 1.123 25816 8962 1 20 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.565 -2.180 25816 8963 1 20 . 1 1 14 14 GLY H H 14 8.789 8.789 8.031 0.758 25816 8964 1 20 . 1 1 15 15 ARG N N 15 120.075 120.075 120.869 -0.794 25816 8965 1 20 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.676 0.434 25816 8966 1 20 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.215 -1.322 25816 8967 1 20 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.373 0.383 25816 8968 1 20 . 1 1 15 15 ARG H H 15 8.299 8.299 8.393 -0.094 25816 8969 1 20 . 1 1 16 16 ASP N N 16 123.872 123.872 123.015 0.857 25816 8970 1 20 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.765 -0.020 25816 8971 1 20 . 1 1 16 16 ASP CA C 16 51.371 51.371 53.322 -1.951 25816 8972 1 20 . 1 1 16 16 ASP CB C 16 40.752 40.752 42.681 -1.929 25816 8973 1 20 . 1 1 16 16 ASP H H 16 8.619 8.619 8.495 0.124 25816 8974 1 20 . 1 1 17 17 SER N N 17 114.309 114.309 113.151 1.158 25816 8975 1 20 . 1 1 17 17 SER HA H 17 4.196 4.196 4.214 -0.018 25816 8976 1 20 . 1 1 17 17 SER CA C 17 59.950 59.950 60.581 -0.631 25816 8977 1 20 . 1 1 17 17 SER CB C 17 61.825 61.825 63.441 -1.616 25816 8978 1 20 . 1 1 17 17 SER H H 17 8.624 8.624 8.436 0.188 25816 8979 1 20 . 1 1 18 18 SER N N 18 117.903 117.903 115.405 2.498 25816 8980 1 20 . 1 1 18 18 SER HA H 18 4.597 4.597 4.304 0.293 25816 8981 1 20 . 1 1 18 18 SER CA C 18 57.732 57.732 59.352 -1.620 25816 8982 1 20 . 1 1 18 18 SER CB C 18 63.470 63.470 63.389 0.081 25816 8983 1 20 . 1 1 18 18 SER H H 18 8.385 8.385 7.689 0.696 25816 8984 1 20 . 1 1 19 19 GLY N N 19 109.883 109.883 111.271 -1.388 25816 8985 1 20 . 1 1 19 19 GLY CA C 19 44.171 44.171 44.979 -0.808 25816 8986 1 20 . 1 1 19 19 GLY H H 19 8.214 8.214 7.959 0.255 25816 8987 1 20 . 1 1 20 20 CYS N N 20 122.167 122.167 119.352 2.815 25816 8988 1 20 . 1 1 20 20 CYS HA H 20 4.488 4.488 5.037 -0.549 25816 8989 1 20 . 1 1 20 20 CYS CA C 20 58.037 58.037 58.481 -0.444 25816 8990 1 20 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.891 -3.206 25816 8991 1 20 . 1 1 20 20 CYS H H 20 8.286 8.286 8.429 -0.143 25816 8992 1 20 . 1 1 21 21 THR N N 21 119.387 119.387 114.156 5.231 25816 8993 1 20 . 1 1 21 21 THR HA H 21 4.764 4.764 4.788 -0.024 25816 8994 1 20 . 1 1 21 21 THR CA C 21 61.953 61.953 62.202 -0.249 25816 8995 1 20 . 1 1 21 21 THR CB C 21 68.795 68.795 69.404 -0.609 25816 8996 1 20 . 1 1 21 21 THR H H 21 8.626 8.626 8.499 0.127 25816 8997 1 20 . 1 1 22 22 THR N N 22 116.611 116.611 116.882 -0.271 25816 8998 1 20 . 1 1 22 22 THR HA H 22 4.513 4.513 4.767 -0.254 25816 8999 1 20 . 1 1 22 22 THR CA C 22 58.918 58.918 60.429 -1.511 25816 9000 1 20 . 1 1 22 22 THR CB C 22 71.128 71.128 71.171 -0.043 25816 9001 1 20 . 1 1 22 22 THR H H 22 8.343 8.343 7.780 0.563 25816 9002 1 20 . 1 1 23 23 LEU N N 23 122.893 122.893 124.508 -1.615 25816 9003 1 20 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.135 -0.203 25816 9004 1 20 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.804 -1.317 25816 9005 1 20 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.663 -2.398 25816 9006 1 20 . 1 1 23 23 LEU H H 23 9.157 9.157 8.629 0.528 25816 9007 1 20 . 1 1 24 24 SER N N 24 116.771 116.771 115.701 1.070 25816 9008 1 20 . 1 1 24 24 SER HA H 24 5.173 5.173 4.834 0.339 25816 9009 1 20 . 1 1 24 24 SER CA C 24 55.247 55.247 57.089 -1.841 25816 9010 1 20 . 1 1 24 24 SER CB C 24 64.841 64.841 64.515 0.326 25816 9011 1 20 . 1 1 24 24 SER H H 24 8.656 8.656 7.944 0.712 25816 9012 1 20 . 1 1 25 25 ILE N N 25 122.747 122.747 127.615 -4.868 25816 9013 1 20 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.621 -0.590 25816 9014 1 20 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.382 1.888 25816 9015 1 20 . 1 1 25 25 ILE CB C 25 34.649 34.649 35.964 -1.315 25816 9016 1 20 . 1 1 25 25 ILE H H 25 9.023 9.023 8.943 0.080 25816 9017 1 20 . 1 1 26 26 GLN N N 26 129.779 129.779 127.256 2.523 25816 9018 1 20 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.193 0.236 25816 9019 1 20 . 1 1 26 26 GLN CA C 26 54.587 54.587 58.337 -3.750 25816 9020 1 20 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.354 0.922 25816 9021 1 20 . 1 1 26 26 GLN H H 26 9.093 9.093 8.459 0.634 25816 9022 1 20 . 1 1 27 27 GLU N N 27 118.722 118.722 117.005 1.717 25816 9023 1 20 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.596 0.368 25816 9024 1 20 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.035 -0.013 25816 9025 1 20 . 1 1 27 27 GLU H H 27 7.479 7.479 7.970 -0.491 25816 9026 1 20 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.364 0.079 25816 9027 1 20 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.510 -0.355 25816 9028 1 20 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.966 1.714 25816 9029 1 20 . 1 1 29 29 THR N N 29 124.459 124.459 117.447 7.012 25816 9030 1 20 . 1 1 29 29 THR HA H 29 4.183 4.183 4.277 -0.094 25816 9031 1 20 . 1 1 29 29 THR CA C 29 62.474 62.474 61.822 0.652 25816 9032 1 20 . 1 1 29 29 THR CB C 29 68.811 68.811 68.654 0.156 25816 9033 1 20 . 1 1 29 29 THR H H 29 8.009 8.009 8.286 -0.277 25816 9034 1 20 . 1 1 30 30 GLN N N 30 130.053 130.053 120.156 9.897 25816 9035 1 20 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.647 -1.125 25816 9036 1 20 . 1 1 30 30 GLN CA C 30 58.886 58.886 55.831 3.055 25816 9037 1 20 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.449 -0.144 25816 9038 1 20 . 1 1 30 30 GLN H H 30 9.321 9.321 8.105 1.216 25816 9039 1 20 . 1 1 31 31 THR N N 31 111.234 111.234 108.667 2.567 25816 9040 1 20 . 1 1 31 31 THR HA H 31 5.509 5.509 4.512 0.997 25816 9041 1 20 . 1 1 31 31 THR CA C 31 58.798 58.798 61.423 -2.625 25816 9042 1 20 . 1 1 31 31 THR CB C 31 71.374 71.374 69.657 1.717 25816 9043 1 20 . 1 1 31 31 THR H H 31 7.630 7.630 7.831 -0.201 25816 9044 1 20 . 1 1 32 32 TYR N N 32 121.998 121.998 119.194 2.804 25816 9045 1 20 . 1 1 32 32 TYR HA H 32 4.803 4.803 5.349 -0.546 25816 9046 1 20 . 1 1 32 32 TYR CA C 32 54.799 54.799 55.382 -0.583 25816 9047 1 20 . 1 1 32 32 TYR CB C 32 39.718 39.718 40.598 -0.880 25816 9048 1 20 . 1 1 32 32 TYR H H 32 9.359 9.359 7.720 1.639 25816 9049 1 20 . 1 1 33 33 THR N N 33 114.039 114.039 114.781 -0.742 25816 9050 1 20 . 1 1 33 33 THR HA H 33 4.390 4.390 4.030 0.360 25816 9051 1 20 . 1 1 33 33 THR CA C 33 59.896 59.896 61.654 -1.758 25816 9052 1 20 . 1 1 33 33 THR CB C 33 69.135 69.135 69.989 -0.854 25816 9053 1 20 . 1 1 33 33 THR H H 33 7.985 7.985 9.205 -1.220 25816 9054 1 20 . 1 1 34 34 GLY N N 34 113.445 113.445 108.699 4.746 25816 9055 1 20 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.154 -1.081 25816 9056 1 20 . 1 1 34 34 GLY H H 34 8.698 8.698 8.231 0.467 25816 9057 1 20 . 1 1 35 35 SER N N 35 113.837 113.837 115.830 -1.993 25816 9058 1 20 . 1 1 35 35 SER HA H 35 4.264 4.264 4.441 -0.177 25816 9059 1 20 . 1 1 35 35 SER CA C 35 57.651 57.651 58.551 -0.900 25816 9060 1 20 . 1 1 35 35 SER CB C 35 63.056 63.056 63.146 -0.090 25816 9061 1 20 . 1 1 35 35 SER H H 35 8.039 8.039 7.870 0.169 25816 9062 1 20 . 1 1 36 36 ASN N N 36 119.749 119.749 122.139 -2.390 25816 9063 1 20 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.840 -0.256 25816 9064 1 20 . 1 1 36 36 ASN CA C 36 52.781 52.781 52.818 -0.037 25816 9065 1 20 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.472 -1.286 25816 9066 1 20 . 1 1 36 36 ASN H H 36 8.767 8.767 8.573 0.194 25816 9067 1 20 . 1 1 37 37 GLY N N 37 110.628 110.628 105.678 4.950 25816 9068 1 20 . 1 1 37 37 GLY CA C 37 44.585 44.585 44.966 -0.381 25816 9069 1 20 . 1 1 37 37 GLY H H 37 8.496 8.496 7.687 0.809 25816 9070 1 20 . 1 1 38 38 GLY N N 38 108.654 108.654 108.764 -0.110 25816 9071 1 20 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.137 -1.037 25816 9072 1 20 . 1 1 38 38 GLY H H 38 7.955 7.955 7.895 0.060 25816 9073 1 20 . 1 1 39 39 ALA N N 39 123.326 123.326 126.389 -3.063 25816 9074 1 20 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.342 -0.131 25816 9075 1 20 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.511 -1.673 25816 9076 1 20 . 1 1 39 39 ALA CB C 39 18.729 18.729 19.811 -1.082 25816 9077 1 20 . 1 1 39 39 ALA H H 39 8.028 8.028 8.334 -0.306 25816 9078 1 20 . 1 1 40 40 ASP N N 40 119.573 119.573 117.840 1.733 25816 9079 1 20 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.449 -0.062 25816 9080 1 20 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.516 -0.522 25816 9081 1 20 . 1 1 40 40 ASP CB C 40 39.627 39.627 39.782 -0.155 25816 9082 1 20 . 1 1 40 40 ASP H H 40 8.261 8.261 8.093 0.168 25816 9083 1 20 . 1 1 41 41 LEU N N 41 123.899 123.899 122.759 1.140 25816 9084 1 20 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.304 0.138 25816 9085 1 20 . 1 1 41 41 LEU CA C 41 52.221 52.221 56.731 -4.510 25816 9086 1 20 . 1 1 41 41 LEU CB C 41 43.009 43.009 43.912 -0.903 25816 9087 1 20 . 1 1 41 41 LEU H H 41 8.663 8.663 8.561 0.102 25816 9088 1 20 . 1 1 42 42 MET N N 42 119.684 119.684 117.409 2.275 25816 9089 1 20 . 1 1 42 42 MET HA H 42 4.730 4.730 4.510 0.220 25816 9090 1 20 . 1 1 42 42 MET CA C 42 54.695 54.695 55.660 -0.965 25816 9091 1 20 . 1 1 42 42 MET CB C 42 32.194 32.194 35.102 -2.908 25816 9092 1 20 . 1 1 42 42 MET H H 42 8.553 8.553 7.953 0.600 25816 9093 1 20 . 1 1 43 43 GLY N N 43 113.052 113.052 110.418 2.634 25816 9094 1 20 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.341 -2.963 25816 9095 1 20 . 1 1 43 43 GLY H H 43 8.618 8.618 8.547 0.071 25816 9096 1 20 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.466 0.254 25816 9097 1 20 . 1 1 44 44 PRO CA C 44 61.231 61.231 63.614 -2.383 25816 9098 1 20 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.895 0.058 25816 9099 1 20 . 1 1 45 45 ALA N N 45 120.693 120.693 119.701 0.992 25816 9100 1 20 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.546 -0.562 25816 9101 1 20 . 1 1 45 45 ALA CA C 45 53.804 53.804 50.692 3.112 25816 9102 1 20 . 1 1 45 45 ALA CB C 45 17.967 17.967 20.487 -2.520 25816 9103 1 20 . 1 1 45 45 ALA H H 45 7.524 7.524 7.382 0.142 25816 9104 1 20 . 1 1 46 46 PHE N N 46 122.306 122.306 118.268 4.038 25816 9105 1 20 . 1 1 46 46 PHE HA H 46 3.962 3.962 3.867 0.095 25816 9106 1 20 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.832 -0.506 25816 9107 1 20 . 1 1 46 46 PHE CB C 46 38.620 38.620 38.128 0.492 25816 9108 1 20 . 1 1 46 46 PHE H H 46 8.603 8.603 8.943 -0.340 25816 9109 1 20 . 1 1 47 47 ALA N N 47 123.253 123.253 122.214 1.039 25816 9110 1 20 . 1 1 47 47 ALA HA H 47 4.088 4.088 3.998 0.090 25816 9111 1 20 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.757 -0.806 25816 9112 1 20 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.608 -0.961 25816 9113 1 20 . 1 1 47 47 ALA H H 47 9.199 9.199 8.273 0.926 25816 9114 1 20 . 1 1 48 48 ALA N N 48 117.571 117.571 118.952 -1.381 25816 9115 1 20 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.075 0.228 25816 9116 1 20 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.816 -0.129 25816 9117 1 20 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.218 -0.446 25816 9118 1 20 . 1 1 48 48 ALA H H 48 7.262 7.262 8.094 -0.832 25816 9119 1 20 . 1 1 49 49 GLY N N 49 103.229 103.229 106.646 -3.417 25816 9120 1 20 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.965 -1.346 25816 9121 1 20 . 1 1 49 49 GLY H H 49 7.461 7.461 7.760 -0.299 25816 9122 1 20 . 1 1 50 50 LEU N N 50 120.470 120.470 121.088 -0.618 25816 9123 1 20 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.042 -0.524 25816 9124 1 20 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.738 -1.326 25816 9125 1 20 . 1 1 50 50 LEU CB C 50 40.955 40.955 40.377 0.578 25816 9126 1 20 . 1 1 50 50 LEU H H 50 7.224 7.224 7.956 -0.732 25816 9127 1 20 . 1 1 51 51 ARG N N 51 119.645 119.645 123.029 -3.384 25816 9128 1 20 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.982 -1.491 25816 9129 1 20 . 1 1 51 51 ARG CB C 51 33.816 33.816 33.855 -0.039 25816 9130 1 20 . 1 1 51 51 ARG H H 51 8.678 8.678 8.032 0.646 25816 9131 1 20 . 1 1 52 52 VAL N N 52 119.995 119.995 118.455 1.540 25816 9132 1 20 . 1 1 52 52 VAL HA H 52 3.223 3.223 4.139 -0.916 25816 9133 1 20 . 1 1 52 52 VAL CA C 52 64.218 64.218 61.828 2.390 25816 9134 1 20 . 1 1 52 52 VAL CB C 52 30.149 30.149 30.735 -0.586 25816 9135 1 20 . 1 1 52 52 VAL H H 52 8.482 8.482 8.122 0.360 25816 9136 1 20 . 1 1 53 53 GLY N N 53 117.052 117.052 115.095 1.957 25816 9137 1 20 . 1 1 53 53 GLY CA C 53 43.425 43.425 45.280 -1.855 25816 9138 1 20 . 1 1 53 53 GLY H H 53 9.122 9.122 9.052 0.070 25816 9139 1 20 . 1 1 54 54 ASP N N 54 124.203 124.203 120.531 3.672 25816 9140 1 20 . 1 1 54 54 ASP HA H 54 4.833 4.833 4.975 -0.142 25816 9141 1 20 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.538 1.196 25816 9142 1 20 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.067 -1.788 25816 9143 1 20 . 1 1 54 54 ASP H H 54 7.848 7.848 7.669 0.179 25816 9144 1 20 . 1 1 55 55 GLN N N 55 121.703 121.703 121.800 -0.097 25816 9145 1 20 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.693 0.174 25816 9146 1 20 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.164 -1.638 25816 9147 1 20 . 1 1 55 55 GLN CB C 55 29.032 29.032 29.155 -0.123 25816 9148 1 20 . 1 1 55 55 GLN H H 55 9.158 9.158 8.343 0.815 25816 9149 1 20 . 1 1 56 56 LEU N N 56 124.733 124.733 126.581 -1.848 25816 9150 1 20 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.451 -0.264 25816 9151 1 20 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.740 0.455 25816 9152 1 20 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.246 -0.233 25816 9153 1 20 . 1 1 56 56 LEU H H 56 8.770 8.770 8.467 0.303 25816 9154 1 20 . 1 1 57 57 VAL N N 57 123.383 123.383 123.693 -0.310 25816 9155 1 20 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.491 -0.183 25816 9156 1 20 . 1 1 57 57 VAL CA C 57 63.143 63.143 60.340 2.803 25816 9157 1 20 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.413 -0.778 25816 9158 1 20 . 1 1 57 57 VAL H H 57 8.889 8.889 7.880 1.009 25816 9159 1 20 . 1 1 58 58 ARG N N 58 118.094 118.094 120.025 -1.931 25816 9160 1 20 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.720 0.618 25816 9161 1 20 . 1 1 58 58 ARG CA C 58 54.212 54.212 56.095 -1.883 25816 9162 1 20 . 1 1 58 58 ARG CB C 58 34.613 34.613 33.143 1.470 25816 9163 1 20 . 1 1 58 58 ARG H H 58 8.531 8.531 8.804 -0.273 25816 9164 1 20 . 1 1 59 59 PHE N N 59 123.332 123.332 119.881 3.451 25816 9165 1 20 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.769 0.166 25816 9166 1 20 . 1 1 59 59 PHE CA C 59 56.856 56.856 55.469 1.387 25816 9167 1 20 . 1 1 59 59 PHE CB C 59 42.971 42.971 41.404 1.567 25816 9168 1 20 . 1 1 59 59 PHE H H 59 9.295 9.295 7.803 1.492 25816 9169 1 20 . 1 1 60 60 ALA N N 60 127.537 127.537 128.180 -0.643 25816 9170 1 20 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.945 -0.358 25816 9171 1 20 . 1 1 60 60 ALA CA C 60 52.374 52.374 51.701 0.673 25816 9172 1 20 . 1 1 60 60 ALA CB C 60 15.473 15.473 16.709 -1.236 25816 9173 1 20 . 1 1 60 60 ALA H H 60 8.356 8.356 8.049 0.307 25816 9174 1 20 . 1 1 61 61 GLY N N 61 103.058 103.058 106.324 -3.266 25816 9175 1 20 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.245 -0.458 25816 9176 1 20 . 1 1 61 61 GLY H H 61 9.178 9.178 7.732 1.446 25816 9177 1 20 . 1 1 62 62 TYR N N 62 120.218 120.218 116.051 4.167 25816 9178 1 20 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.057 0.573 25816 9179 1 20 . 1 1 62 62 TYR CA C 62 56.577 56.577 58.550 -1.973 25816 9180 1 20 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.038 3.854 25816 9181 1 20 . 1 1 62 62 TYR H H 62 7.888 7.888 7.421 0.467 25816 9182 1 20 . 1 1 63 63 THR N N 63 120.933 120.933 112.303 8.630 25816 9183 1 20 . 1 1 63 63 THR HA H 63 4.479 4.479 5.134 -0.655 25816 9184 1 20 . 1 1 63 63 THR CA C 63 62.851 62.851 61.728 1.123 25816 9185 1 20 . 1 1 63 63 THR CB C 63 67.848 67.848 71.579 -3.731 25816 9186 1 20 . 1 1 63 63 THR H H 63 9.108 9.108 7.762 1.346 25816 9187 1 20 . 1 1 64 64 VAL N N 64 121.039 121.039 125.586 -4.547 25816 9188 1 20 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.620 -0.021 25816 9189 1 20 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.163 -1.296 25816 9190 1 20 . 1 1 64 64 VAL CB C 64 33.004 33.004 35.422 -2.418 25816 9191 1 20 . 1 1 64 64 VAL H H 64 7.782 7.782 8.409 -0.627 25816 9192 1 20 . 1 1 65 65 THR N N 65 114.373 114.373 119.196 -4.823 25816 9193 1 20 . 1 1 65 65 THR HA H 65 4.452 4.452 4.437 0.015 25816 9194 1 20 . 1 1 65 65 THR CA C 65 60.536 60.536 63.493 -2.957 25816 9195 1 20 . 1 1 65 65 THR CB C 65 69.037 69.037 69.144 -0.106 25816 9196 1 20 . 1 1 65 65 THR H H 65 9.053 9.053 8.331 0.722 25816 9197 1 20 . 1 1 66 66 GLU N N 66 115.766 115.766 118.560 -2.794 25816 9198 1 20 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.577 -0.014 25816 9199 1 20 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.713 -2.326 25816 9200 1 20 . 1 1 66 66 GLU CB C 66 31.565 31.565 30.809 0.756 25816 9201 1 20 . 1 1 66 66 GLU H H 66 7.345 7.345 7.762 -0.417 25816 9202 1 20 . 1 1 67 67 LEU N N 67 124.674 124.674 118.816 5.858 25816 9203 1 20 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.617 -0.683 25816 9204 1 20 . 1 1 67 67 LEU CA C 67 57.535 57.535 58.032 -0.497 25816 9205 1 20 . 1 1 67 67 LEU CB C 67 41.053 41.053 41.009 0.044 25816 9206 1 20 . 1 1 67 67 LEU H H 67 8.906 8.906 8.474 0.432 25816 9207 1 20 . 1 1 68 68 ALA N N 68 120.493 120.493 123.035 -2.542 25816 9208 1 20 . 1 1 68 68 ALA HA H 68 4.136 4.136 4.014 0.122 25816 9209 1 20 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.326 -0.652 25816 9210 1 20 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.907 -1.387 25816 9211 1 20 . 1 1 68 68 ALA H H 68 9.022 9.022 8.497 0.525 25816 9212 1 20 . 1 1 69 69 ALA N N 69 119.695 119.695 121.389 -1.694 25816 9213 1 20 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.121 0.041 25816 9214 1 20 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.846 -0.826 25816 9215 1 20 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.226 -0.563 25816 9216 1 20 . 1 1 69 69 ALA H H 69 7.258 7.258 8.228 -0.970 25816 9217 1 20 . 1 1 70 70 PHE N N 70 119.274 119.274 118.699 0.575 25816 9218 1 20 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.247 -0.288 25816 9219 1 20 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.238 0.722 25816 9220 1 20 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.402 -0.970 25816 9221 1 20 . 1 1 70 70 PHE H H 70 7.769 7.769 7.963 -0.194 25816 9222 1 20 . 1 1 71 71 ASN N N 71 117.363 117.363 118.195 -0.832 25816 9223 1 20 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.355 -0.253 25816 9224 1 20 . 1 1 71 71 ASN CA C 71 54.697 54.697 55.935 -1.238 25816 9225 1 20 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.547 -2.474 25816 9226 1 20 . 1 1 71 71 ASN H H 71 8.801 8.801 8.595 0.206 25816 9227 1 20 . 1 1 72 72 THR N N 72 119.746 119.746 117.483 2.263 25816 9228 1 20 . 1 1 72 72 THR HA H 72 4.220 4.220 4.032 0.188 25816 9229 1 20 . 1 1 72 72 THR CA C 72 65.927 65.927 67.283 -1.356 25816 9230 1 20 . 1 1 72 72 THR CB C 72 67.600 67.600 68.766 -1.165 25816 9231 1 20 . 1 1 72 72 THR H H 72 8.109 8.109 7.798 0.311 25816 9232 1 20 . 1 1 73 73 VAL N N 73 123.156 123.156 119.801 3.355 25816 9233 1 20 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.466 -0.011 25816 9234 1 20 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.429 -0.273 25816 9235 1 20 . 1 1 73 73 VAL CB C 73 30.336 30.336 31.236 -0.900 25816 9236 1 20 . 1 1 73 73 VAL H H 73 7.744 7.744 7.493 0.251 25816 9237 1 20 . 1 1 74 74 VAL N N 74 120.420 120.420 119.340 1.080 25816 9238 1 20 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.489 -0.123 25816 9239 1 20 . 1 1 74 74 VAL CA C 74 65.598 65.598 64.903 0.695 25816 9240 1 20 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.622 -1.137 25816 9241 1 20 . 1 1 74 74 VAL H H 74 8.154 8.154 7.432 0.722 25816 9242 1 20 . 1 1 75 75 ALA N N 75 120.206 120.206 119.977 0.229 25816 9243 1 20 . 1 1 75 75 ALA HA H 75 3.995 3.995 3.910 0.085 25816 9244 1 20 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.385 -0.386 25816 9245 1 20 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.505 -1.541 25816 9246 1 20 . 1 1 75 75 ALA H H 75 7.788 7.788 7.396 0.392 25816 9247 1 20 . 1 1 76 76 ARG N N 76 114.701 114.701 118.168 -3.467 25816 9248 1 20 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.010 0.075 25816 9249 1 20 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.963 -0.981 25816 9250 1 20 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.914 0.770 25816 9251 1 20 . 1 1 76 76 ARG H H 76 7.705 7.705 7.931 -0.226 25816 9252 1 20 . 1 1 77 77 HIS N N 77 112.695 112.695 117.654 -4.959 25816 9253 1 20 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.533 0.277 25816 9254 1 20 . 1 1 77 77 HIS CA C 77 56.161 56.161 54.524 1.637 25816 9255 1 20 . 1 1 77 77 HIS CB C 77 31.033 31.033 27.130 3.903 25816 9256 1 20 . 1 1 77 77 HIS H H 77 8.123 8.123 7.408 0.715 25816 9257 1 20 . 1 1 78 78 VAL N N 78 119.219 119.219 119.637 -0.418 25816 9258 1 20 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.165 -0.272 25816 9259 1 20 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.255 2.310 25816 9260 1 20 . 1 1 78 78 VAL CB C 78 29.128 29.128 32.033 -2.905 25816 9261 1 20 . 1 1 78 78 VAL H H 78 8.034 8.034 7.853 0.181 25816 9262 1 20 . 1 1 79 79 ARG N N 79 126.908 126.908 120.808 6.100 25816 9263 1 20 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.583 -3.222 25816 9264 1 20 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.314 -0.123 25816 9265 1 20 . 1 1 79 79 ARG H H 79 7.023 7.023 7.791 -0.768 25816 9266 1 20 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.282 -0.257 25816 9267 1 20 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.133 0.437 25816 9268 1 20 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.951 -0.739 25816 9269 1 20 . 1 1 81 81 SER N N 81 115.039 115.039 117.492 -2.453 25816 9270 1 20 . 1 1 81 81 SER HA H 81 4.047 4.047 4.057 -0.010 25816 9271 1 20 . 1 1 81 81 SER CA C 81 60.713 60.713 58.795 1.918 25816 9272 1 20 . 1 1 81 81 SER H H 81 8.210 8.210 8.598 -0.388 25816 9273 1 20 . 1 1 82 82 ALA N N 82 123.546 123.546 125.499 -1.953 25816 9274 1 20 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.639 -0.293 25816 9275 1 20 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.068 0.438 25816 9276 1 20 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.711 -1.616 25816 9277 1 20 . 1 1 82 82 ALA H H 82 7.770 7.770 7.647 0.123 25816 9278 1 20 . 1 1 83 83 SER N N 83 116.753 116.753 120.182 -3.429 25816 9279 1 20 . 1 1 83 83 SER HA H 83 5.129 5.129 4.696 0.433 25816 9280 1 20 . 1 1 83 83 SER CA C 83 56.582 56.582 58.466 -1.884 25816 9281 1 20 . 1 1 83 83 SER CB C 83 62.554 62.554 63.799 -1.245 25816 9282 1 20 . 1 1 83 83 SER H H 83 8.524 8.524 8.687 -0.163 25816 9283 1 20 . 1 1 84 84 ILE N N 84 126.985 126.985 126.556 0.429 25816 9284 1 20 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.297 -2.511 25816 9285 1 20 . 1 1 84 84 ILE CB C 84 38.424 38.424 41.512 -3.088 25816 9286 1 20 . 1 1 84 84 ILE H H 84 9.599 9.599 8.101 1.498 25816 9287 1 20 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.642 0.303 25816 9288 1 20 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.916 -1.362 25816 9289 1 20 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.108 0.319 25816 9290 1 20 . 1 1 86 86 VAL N N 86 123.811 123.811 126.307 -2.496 25816 9291 1 20 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.416 0.433 25816 9292 1 20 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.626 -1.853 25816 9293 1 20 . 1 1 86 86 VAL CB C 86 34.644 34.644 35.747 -1.103 25816 9294 1 20 . 1 1 86 86 VAL H H 86 9.033 9.033 7.777 1.256 25816 9295 1 20 . 1 1 87 87 VAL N N 87 127.839 127.839 127.320 0.519 25816 9296 1 20 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.208 0.764 25816 9297 1 20 . 1 1 87 87 VAL CA C 87 60.693 60.693 62.278 -1.585 25816 9298 1 20 . 1 1 87 87 VAL CB C 87 32.418 32.418 31.707 0.711 25816 9299 1 20 . 1 1 87 87 VAL H H 87 9.132 9.132 8.688 0.444 25816 9300 1 20 . 1 1 88 88 PHE N N 88 127.301 127.301 126.231 1.070 25816 9301 1 20 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.570 0.048 25816 9302 1 20 . 1 1 88 88 PHE CA C 88 54.211 54.211 54.570 -0.359 25816 9303 1 20 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.095 -1.093 25816 9304 1 20 . 1 1 88 88 PHE H H 88 9.248 9.248 8.049 1.199 25816 9305 1 20 . 1 1 89 89 SER N N 89 113.734 113.734 116.136 -2.402 25816 9306 1 20 . 1 1 89 89 SER HA H 89 5.336 5.336 4.850 0.486 25816 9307 1 20 . 1 1 89 89 SER CA C 89 54.452 54.452 57.029 -2.577 25816 9308 1 20 . 1 1 89 89 SER CB C 89 64.474 64.474 65.753 -1.279 25816 9309 1 20 . 1 1 89 89 SER H H 89 9.689 9.689 8.155 1.534 25816 9310 1 20 . 1 1 90 90 ARG N N 90 128.114 128.114 127.114 1.000 25816 9311 1 20 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.574 0.173 25816 9312 1 20 . 1 1 90 90 ARG CA C 90 54.122 54.122 54.955 -0.833 25816 9313 1 20 . 1 1 90 90 ARG CB C 90 32.336 32.336 30.364 1.972 25816 9314 1 20 . 1 1 90 90 ARG H H 90 8.561 8.561 8.091 0.470 25816 9315 1 20 . 1 1 91 91 ASP N N 91 129.790 129.790 124.617 5.173 25816 9316 1 20 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.559 -0.290 25816 9317 1 20 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.148 -0.647 25816 9318 1 20 . 1 1 91 91 ASP CB C 91 39.081 39.081 39.402 -0.321 25816 9319 1 20 . 1 1 91 91 ASP H H 91 9.461 9.461 8.346 1.115 25816 9320 1 20 . 1 1 92 92 GLY N N 92 102.404 102.404 106.870 -4.466 25816 9321 1 20 . 1 1 92 92 GLY CA C 92 44.305 44.305 45.119 -0.814 25816 9322 1 20 . 1 1 92 92 GLY H H 92 8.391 8.391 8.587 -0.196 25816 9323 1 20 . 1 1 93 93 VAL N N 93 123.090 123.090 124.362 -1.272 25816 9324 1 20 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.951 0.051 25816 9325 1 20 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.152 -1.886 25816 9326 1 20 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.174 -0.356 25816 9327 1 20 . 1 1 93 93 VAL H H 93 7.682 7.682 7.103 0.579 25816 9328 1 20 . 1 1 94 94 VAL N N 94 128.414 128.414 128.963 -0.549 25816 9329 1 20 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.304 -0.170 25816 9330 1 20 . 1 1 94 94 VAL CA C 94 62.340 62.340 60.058 2.282 25816 9331 1 20 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.880 -2.764 25816 9332 1 20 . 1 1 94 94 VAL H H 94 8.400 8.400 8.161 0.239 25816 9333 1 20 . 1 1 95 95 MET N N 95 129.196 129.196 128.843 0.353 25816 9334 1 20 . 1 1 95 95 MET HA H 95 4.352 4.352 4.673 -0.321 25816 9335 1 20 . 1 1 95 95 MET CA C 95 53.674 53.674 54.379 -0.705 25816 9336 1 20 . 1 1 95 95 MET CB C 95 36.104 36.104 36.644 -0.540 25816 9337 1 20 . 1 1 95 95 MET H H 95 9.100 9.100 8.114 0.986 25816 9338 1 20 . 1 1 96 96 SER N N 96 111.540 111.540 116.355 -4.815 25816 9339 1 20 . 1 1 96 96 SER HA H 96 5.469 5.469 4.852 0.617 25816 9340 1 20 . 1 1 96 96 SER CA C 96 55.830 55.830 57.294 -1.464 25816 9341 1 20 . 1 1 96 96 SER CB C 96 65.471 65.471 64.489 0.982 25816 9342 1 20 . 1 1 96 96 SER H H 96 8.004 8.004 8.354 -0.350 25816 9343 1 20 . 1 1 97 97 ALA N N 97 124.079 124.079 129.681 -5.602 25816 9344 1 20 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.786 0.002 25816 9345 1 20 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.626 -1.227 25816 9346 1 20 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.169 0.375 25816 9347 1 20 . 1 1 97 97 ALA H H 97 9.145 9.145 8.378 0.767 25816 9348 1 20 . 1 1 98 98 THR N N 98 117.342 117.342 117.774 -0.432 25816 9349 1 20 . 1 1 98 98 THR HA H 98 4.823 4.823 4.568 0.255 25816 9350 1 20 . 1 1 98 98 THR CA C 98 61.053 61.053 60.943 0.110 25816 9351 1 20 . 1 1 98 98 THR CB C 98 69.913 69.913 68.982 0.931 25816 9352 1 20 . 1 1 98 98 THR H H 98 8.754 8.754 8.380 0.374 25816 9353 1 20 . 1 1 99 99 ILE N N 99 125.689 125.689 127.810 -2.121 25816 9354 1 20 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.475 -0.364 25816 9355 1 20 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.436 -1.067 25816 9356 1 20 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.468 1.223 25816 9357 1 20 . 1 1 99 99 ILE H H 99 8.868 8.868 7.992 0.876 25816 9358 1 20 . 1 1 100 100 VAL N N 100 129.871 129.871 123.367 6.504 25816 9359 1 20 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.363 0.303 25816 9360 1 20 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.023 0.844 25816 9361 1 20 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.166 -1.556 25816 9362 1 20 . 1 1 100 100 VAL H H 100 8.818 8.818 8.451 0.367 25816 9363 1 20 . 1 1 101 101 VAL N N 101 128.299 128.299 128.221 0.078 25816 9364 1 20 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.231 -0.862 25816 9365 1 20 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.238 2.089 25816 9366 1 20 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.632 -0.658 25816 9367 1 20 . 1 1 101 101 VAL H H 101 8.795 8.795 7.923 0.872 25816 9368 1 20 . 1 1 102 102 GLY N N 102 115.466 115.466 114.930 0.536 25816 9369 1 20 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.644 -0.964 25816 9370 1 20 . 1 1 102 102 GLY H H 102 8.393 8.393 8.217 0.176 25816 9371 1 20 . 1 1 103 103 GLU N N 103 119.459 119.459 122.752 -3.293 25816 9372 1 20 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.309 0.646 25816 9373 1 20 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.614 -1.868 25816 9374 1 20 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.470 1.731 25816 9375 1 20 . 1 1 103 103 GLU H H 103 8.386 8.386 8.672 -0.286 25816 9376 1 20 . 1 1 104 104 LEU N N 104 123.881 123.881 113.734 10.147 25816 9377 1 20 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.660 0.040 25816 9378 1 20 . 1 1 104 104 LEU CA C 104 52.567 52.567 53.708 -1.141 25816 9379 1 20 . 1 1 104 104 LEU CB C 104 44.058 44.058 44.049 0.009 25816 9380 1 20 . 1 1 104 104 LEU H H 104 8.735 8.735 7.330 1.405 25816 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 97 3.617 -0.535 3.596 25816 2 1 1 "Average Difference" HA 107 0.412 -0.030 0.413 25816 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25816 4 1 1 "Average Difference" CA 101 1.609 0.787 1.410 25816 5 1 1 "Average Difference" CB 89 1.516 0.431 1.462 25816 6 1 1 "Average Difference" HN 97 0.659 -0.334 0.571 25816 7 1 2 "Average Difference" N 97 3.286 -0.299 3.289 25816 8 1 2 "Average Difference" HA 107 0.382 0.012 0.384 25816 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25816 10 1 2 "Average Difference" CA 101 1.547 0.804 1.329 25816 11 1 2 "Average Difference" CB 89 1.444 0.437 1.384 25816 12 1 2 "Average Difference" HN 97 0.633 -0.312 0.554 25816 13 1 3 "Average Difference" N 97 3.249 -0.369 3.245 25816 14 1 3 "Average Difference" HA 107 0.402 -0.007 0.404 25816 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25816 16 1 3 "Average Difference" CA 101 1.491 0.886 1.205 25816 17 1 3 "Average Difference" CB 89 1.501 0.353 1.467 25816 18 1 3 "Average Difference" HN 97 0.646 -0.310 0.570 25816 19 1 4 "Average Difference" N 97 3.325 -0.527 3.300 25816 20 1 4 "Average Difference" HA 107 0.396 -0.008 0.398 25816 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25816 22 1 4 "Average Difference" CA 101 1.619 0.826 1.400 25816 23 1 4 "Average Difference" CB 89 1.633 0.499 1.564 25816 24 1 4 "Average Difference" HN 97 0.625 -0.307 0.548 25816 25 1 5 "Average Difference" N 97 3.572 -0.587 3.542 25816 26 1 5 "Average Difference" HA 107 0.437 -0.023 0.438 25816 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25816 28 1 5 "Average Difference" CA 101 1.619 0.888 1.360 25816 29 1 5 "Average Difference" CB 89 1.588 0.477 1.523 25816 30 1 5 "Average Difference" HN 97 0.647 -0.308 0.572 25816 31 1 6 "Average Difference" N 97 3.199 -0.251 3.206 25816 32 1 6 "Average Difference" HA 107 0.392 0.020 0.393 25816 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25816 34 1 6 "Average Difference" CA 101 1.572 0.795 1.364 25816 35 1 6 "Average Difference" CB 89 1.584 0.337 1.557 25816 36 1 6 "Average Difference" HN 97 0.653 -0.332 0.565 25816 37 1 7 "Average Difference" N 97 3.317 -0.253 3.325 25816 38 1 7 "Average Difference" HA 107 0.379 0.006 0.381 25816 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25816 40 1 7 "Average Difference" CA 101 1.574 0.730 1.401 25816 41 1 7 "Average Difference" CB 89 1.440 0.397 1.392 25816 42 1 7 "Average Difference" HN 97 0.671 -0.287 0.610 25816 43 1 8 "Average Difference" N 97 3.150 -0.074 3.166 25816 44 1 8 "Average Difference" HA 107 0.395 -0.012 0.397 25816 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25816 46 1 8 "Average Difference" CA 101 1.650 0.923 1.375 25816 47 1 8 "Average Difference" CB 89 1.605 0.465 1.545 25816 48 1 8 "Average Difference" HN 97 0.630 -0.286 0.564 25816 49 1 9 "Average Difference" N 97 3.485 -0.328 3.488 25816 50 1 9 "Average Difference" HA 107 0.393 -0.013 0.395 25816 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25816 52 1 9 "Average Difference" CA 101 1.488 0.836 1.238 25816 53 1 9 "Average Difference" CB 89 1.534 0.447 1.476 25816 54 1 9 "Average Difference" HN 97 0.606 -0.283 0.539 25816 55 1 10 "Average Difference" N 97 3.567 -0.080 3.585 25816 56 1 10 "Average Difference" HA 107 0.408 -0.024 0.409 25816 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25816 58 1 10 "Average Difference" CA 101 1.581 0.836 1.348 25816 59 1 10 "Average Difference" CB 89 1.641 0.478 1.579 25816 60 1 10 "Average Difference" HN 97 0.657 -0.362 0.551 25816 61 1 11 "Average Difference" N 97 3.504 -0.691 3.453 25816 62 1 11 "Average Difference" HA 107 0.395 -0.029 0.396 25816 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25816 64 1 11 "Average Difference" CA 101 1.548 0.801 1.332 25816 65 1 11 "Average Difference" CB 89 1.532 0.442 1.475 25816 66 1 11 "Average Difference" HN 97 0.708 -0.329 0.630 25816 67 1 12 "Average Difference" N 97 3.412 -0.517 3.390 25816 68 1 12 "Average Difference" HA 107 0.411 -0.007 0.413 25816 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25816 70 1 12 "Average Difference" CA 101 1.563 0.758 1.373 25816 71 1 12 "Average Difference" CB 89 1.520 0.237 1.510 25816 72 1 12 "Average Difference" HN 97 0.685 -0.298 0.621 25816 73 1 13 "Average Difference" N 97 3.505 -0.193 3.518 25816 74 1 13 "Average Difference" HA 107 0.409 -0.033 0.409 25816 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25816 76 1 13 "Average Difference" CA 101 1.605 0.888 1.344 25816 77 1 13 "Average Difference" CB 89 1.473 0.405 1.424 25816 78 1 13 "Average Difference" HN 97 0.637 -0.289 0.570 25816 79 1 14 "Average Difference" N 97 3.550 -0.491 3.534 25816 80 1 14 "Average Difference" HA 107 0.375 0.008 0.377 25816 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25816 82 1 14 "Average Difference" CA 101 1.585 0.758 1.399 25816 83 1 14 "Average Difference" CB 89 1.337 0.480 1.255 25816 84 1 14 "Average Difference" HN 97 0.663 -0.326 0.580 25816 85 1 15 "Average Difference" N 97 3.357 -0.474 3.341 25816 86 1 15 "Average Difference" HA 107 0.404 -0.002 0.406 25816 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25816 88 1 15 "Average Difference" CA 101 1.526 0.785 1.314 25816 89 1 15 "Average Difference" CB 89 1.517 0.475 1.449 25816 90 1 15 "Average Difference" HN 97 0.639 -0.284 0.575 25816 91 1 16 "Average Difference" N 97 3.560 -0.344 3.562 25816 92 1 16 "Average Difference" HA 107 0.395 -0.002 0.397 25816 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25816 94 1 16 "Average Difference" CA 101 1.599 0.753 1.418 25816 95 1 16 "Average Difference" CB 89 1.547 0.292 1.528 25816 96 1 16 "Average Difference" HN 97 0.650 -0.335 0.560 25816 97 1 17 "Average Difference" N 97 3.470 -0.521 3.448 25816 98 1 17 "Average Difference" HA 107 0.418 -0.007 0.420 25816 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25816 100 1 17 "Average Difference" CA 101 1.660 0.776 1.474 25816 101 1 17 "Average Difference" CB 89 1.705 0.436 1.658 25816 102 1 17 "Average Difference" HN 97 0.624 -0.317 0.541 25816 103 1 18 "Average Difference" N 97 3.335 -0.558 3.305 25816 104 1 18 "Average Difference" HA 107 0.404 -0.014 0.405 25816 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25816 106 1 18 "Average Difference" CA 101 1.545 0.958 1.218 25816 107 1 18 "Average Difference" CB 89 1.576 0.507 1.500 25816 108 1 18 "Average Difference" HN 97 0.628 -0.301 0.554 25816 109 1 19 "Average Difference" N 97 3.506 -0.274 3.513 25816 110 1 19 "Average Difference" HA 107 0.387 -0.008 0.389 25816 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25816 112 1 19 "Average Difference" CA 101 1.632 0.861 1.393 25816 113 1 19 "Average Difference" CB 89 1.526 0.466 1.461 25816 114 1 19 "Average Difference" HN 97 0.604 -0.296 0.529 25816 115 1 20 "Average Difference" N 97 3.362 -0.345 3.362 25816 116 1 20 "Average Difference" HA 107 0.391 -0.004 0.393 25816 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25816 118 1 20 "Average Difference" CA 101 1.628 0.659 1.496 25816 119 1 20 "Average Difference" CB 89 1.473 0.451 1.411 25816 120 1 20 "Average Difference" HN 97 0.674 -0.302 0.605 25816 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 25816 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 2 122.611 122.611 122.259 0.352 25816 2 1 . 1 1 2 2 LEU HA H 2 4.392 4.392 4.624 -0.232 25816 3 1 . 1 1 2 2 LEU CA C 2 54.332 54.332 55.328 -0.996 25816 4 1 . 1 1 2 2 LEU CB C 2 41.317 41.317 42.623 -1.306 25816 5 1 . 1 1 2 2 LEU H H 2 8.535 8.535 8.365 0.170 25816 6 1 . 1 1 3 3 THR N N 3 112.475 112.475 116.513 -4.038 25816 7 1 . 1 1 3 3 THR HA H 3 4.777 4.777 4.621 0.156 25816 8 1 . 1 1 3 3 THR CA C 3 59.259 59.259 61.359 -2.100 25816 9 1 . 1 1 3 3 THR CB C 3 70.185 70.185 70.528 -0.343 25816 10 1 . 1 1 3 3 THR H H 3 7.903 7.903 8.018 -0.115 25816 11 1 . 1 1 4 4 ARG N N 4 120.183 120.183 121.257 -1.074 25816 12 1 . 1 1 4 4 ARG H H 4 8.809 8.809 8.483 0.326 25816 13 1 . 1 1 5 5 PRO HA H 5 4.372 4.372 4.507 -0.135 25816 14 1 . 1 1 5 5 PRO CA C 5 65.017 65.017 62.865 2.152 25816 15 1 . 1 1 5 5 PRO CB C 5 31.588 31.588 31.670 -0.082 25816 16 1 . 1 1 6 6 TYR N N 6 120.727 120.727 119.910 0.817 25816 17 1 . 1 1 6 6 TYR HA H 6 4.634 4.634 4.613 0.021 25816 18 1 . 1 1 6 6 TYR CA C 6 56.076 56.076 57.369 -1.293 25816 19 1 . 1 1 6 6 TYR CB C 6 41.054 41.054 40.451 0.603 25816 20 1 . 1 1 6 6 TYR H H 6 7.530 7.530 8.102 -0.572 25816 21 1 . 1 1 7 7 LEU N N 7 126.575 126.575 122.443 4.132 25816 22 1 . 1 1 7 7 LEU CB C 7 42.407 42.407 42.098 0.309 25816 23 1 . 1 1 7 7 LEU H H 7 8.500 8.500 8.318 0.182 25816 24 1 . 1 1 8 8 GLY CA C 8 45.707 45.707 45.115 0.592 25816 25 1 . 1 1 9 9 PHE N N 9 114.612 114.612 116.717 -2.105 25816 26 1 . 1 1 9 9 PHE HA H 9 5.358 5.358 5.032 0.326 25816 27 1 . 1 1 9 9 PHE CA C 9 55.262 55.262 55.273 -0.011 25816 28 1 . 1 1 9 9 PHE CB C 9 39.454 39.454 40.374 -0.920 25816 29 1 . 1 1 9 9 PHE H H 9 7.102 7.102 7.437 -0.335 25816 30 1 . 1 1 10 10 ARG N N 10 117.800 117.800 120.271 -2.471 25816 31 1 . 1 1 10 10 ARG HA H 10 4.671 4.671 4.635 0.036 25816 32 1 . 1 1 10 10 ARG CA C 10 53.399 53.399 54.985 -1.586 25816 33 1 . 1 1 10 10 ARG CB C 10 33.815 33.815 32.860 0.955 25816 34 1 . 1 1 10 10 ARG H H 10 8.206 8.206 8.605 -0.399 25816 35 1 . 1 1 11 11 VAL N N 11 117.216 117.216 118.762 -1.546 25816 36 1 . 1 1 11 11 VAL HA H 11 5.167 5.167 5.009 0.158 25816 37 1 . 1 1 11 11 VAL CA C 11 58.190 58.190 60.417 -2.226 25816 38 1 . 1 1 11 11 VAL CB C 11 33.875 33.875 34.800 -0.925 25816 39 1 . 1 1 11 11 VAL H H 11 8.601 8.601 8.359 0.242 25816 40 1 . 1 1 12 12 ALA N N 12 123.025 123.025 130.876 -7.851 25816 41 1 . 1 1 12 12 ALA HA H 12 4.580 4.580 4.808 -0.228 25816 42 1 . 1 1 12 12 ALA CA C 12 49.543 49.543 50.789 -1.246 25816 43 1 . 1 1 12 12 ALA CB C 12 21.782 21.782 20.503 1.279 25816 44 1 . 1 1 12 12 ALA H H 12 8.861 8.861 8.148 0.713 25816 45 1 . 1 1 13 13 VAL N N 13 121.395 121.395 123.928 -2.533 25816 46 1 . 1 1 13 13 VAL HA H 13 4.551 4.551 4.153 0.398 25816 47 1 . 1 1 13 13 VAL CA C 13 61.283 61.283 61.789 -0.506 25816 48 1 . 1 1 13 13 VAL CB C 13 31.694 31.694 32.392 -0.698 25816 49 1 . 1 1 13 13 VAL H H 13 8.585 8.585 8.651 -0.066 25816 50 1 . 1 1 14 14 GLY N N 14 117.546 117.546 116.633 0.913 25816 51 1 . 1 1 14 14 GLY CA C 14 43.384 43.384 45.481 -2.097 25816 52 1 . 1 1 14 14 GLY H H 14 8.789 8.789 8.087 0.702 25816 53 1 . 1 1 15 15 ARG N N 15 120.075 120.075 120.924 -0.849 25816 54 1 . 1 1 15 15 ARG HA H 15 5.110 5.110 4.715 0.395 25816 55 1 . 1 1 15 15 ARG CA C 15 53.893 53.893 55.091 -1.198 25816 56 1 . 1 1 15 15 ARG CB C 15 32.756 32.756 32.496 0.260 25816 57 1 . 1 1 15 15 ARG H H 15 8.299 8.299 8.373 -0.074 25816 58 1 . 1 1 16 16 ASP N N 16 123.872 123.872 122.075 1.797 25816 59 1 . 1 1 16 16 ASP HA H 16 4.745 4.745 4.723 0.023 25816 60 1 . 1 1 16 16 ASP CA C 16 51.371 51.371 52.892 -1.521 25816 61 1 . 1 1 16 16 ASP CB C 16 40.752 40.752 41.753 -1.001 25816 62 1 . 1 1 16 16 ASP H H 16 8.619 8.619 8.414 0.205 25816 63 1 . 1 1 17 17 SER N N 17 114.309 114.309 113.811 0.498 25816 64 1 . 1 1 17 17 SER HA H 17 4.196 4.196 4.222 -0.026 25816 65 1 . 1 1 17 17 SER CA C 17 59.950 59.950 60.565 -0.615 25816 66 1 . 1 1 17 17 SER CB C 17 61.825 61.825 63.289 -1.464 25816 67 1 . 1 1 17 17 SER H H 17 8.624 8.624 8.430 0.194 25816 68 1 . 1 1 18 18 SER N N 18 117.903 117.903 115.365 2.538 25816 69 1 . 1 1 18 18 SER HA H 18 4.597 4.597 4.379 0.218 25816 70 1 . 1 1 18 18 SER CA C 18 57.732 57.732 58.894 -1.162 25816 71 1 . 1 1 18 18 SER CB C 18 63.470 63.470 64.031 -0.561 25816 72 1 . 1 1 18 18 SER H H 18 8.385 8.385 7.834 0.551 25816 73 1 . 1 1 19 19 GLY N N 19 109.883 109.883 110.211 -0.328 25816 74 1 . 1 1 19 19 GLY CA C 19 44.171 44.171 45.133 -0.962 25816 75 1 . 1 1 19 19 GLY H H 19 8.214 8.214 8.220 -0.006 25816 76 1 . 1 1 20 20 CYS N N 20 122.167 122.167 119.706 2.461 25816 77 1 . 1 1 20 20 CYS HA H 20 4.488 4.488 4.667 -0.179 25816 78 1 . 1 1 20 20 CYS CA C 20 58.037 58.037 57.750 0.287 25816 79 1 . 1 1 20 20 CYS CB C 20 26.685 26.685 29.484 -2.799 25816 80 1 . 1 1 20 20 CYS H H 20 8.286 8.286 8.263 0.023 25816 81 1 . 1 1 21 21 THR N N 21 119.387 119.387 114.882 4.505 25816 82 1 . 1 1 21 21 THR HA H 21 4.764 4.764 4.214 0.550 25816 83 1 . 1 1 21 21 THR CA C 21 61.953 61.953 63.182 -1.229 25816 84 1 . 1 1 21 21 THR CB C 21 68.795 68.795 67.928 0.867 25816 85 1 . 1 1 21 21 THR H H 21 8.626 8.626 7.970 0.656 25816 86 1 . 1 1 22 22 THR N N 22 116.611 116.611 116.084 0.527 25816 87 1 . 1 1 22 22 THR HA H 22 4.513 4.513 4.728 -0.215 25816 88 1 . 1 1 22 22 THR CA C 22 58.918 58.918 60.207 -1.289 25816 89 1 . 1 1 22 22 THR CB C 22 71.128 71.128 71.152 -0.024 25816 90 1 . 1 1 22 22 THR H H 22 8.343 8.343 7.947 0.396 25816 91 1 . 1 1 23 23 LEU N N 23 122.893 122.893 124.984 -2.091 25816 92 1 . 1 1 23 23 LEU HA H 23 4.932 4.932 5.116 -0.184 25816 93 1 . 1 1 23 23 LEU CA C 23 52.487 52.487 53.872 -1.385 25816 94 1 . 1 1 23 23 LEU CB C 23 42.265 42.265 44.275 -2.010 25816 95 1 . 1 1 23 23 LEU H H 23 9.157 9.157 8.667 0.490 25816 96 1 . 1 1 24 24 SER N N 24 116.771 116.771 116.582 0.189 25816 97 1 . 1 1 24 24 SER HA H 24 5.173 5.173 4.784 0.389 25816 98 1 . 1 1 24 24 SER CA C 24 55.247 55.247 57.214 -1.967 25816 99 1 . 1 1 24 24 SER CB C 24 64.841 64.841 64.594 0.247 25816 100 1 . 1 1 24 24 SER H H 24 8.656 8.656 8.051 0.605 25816 101 1 . 1 1 25 25 ILE N N 25 122.747 122.747 126.512 -3.765 25816 102 1 . 1 1 25 25 ILE HA H 25 4.031 4.031 4.712 -0.681 25816 103 1 . 1 1 25 25 ILE CA C 25 61.270 61.270 59.841 1.429 25816 104 1 . 1 1 25 25 ILE CB C 25 34.649 34.649 37.130 -2.481 25816 105 1 . 1 1 25 25 ILE H H 25 9.023 9.023 8.907 0.116 25816 106 1 . 1 1 26 26 GLN N N 26 129.779 129.779 126.565 3.213 25816 107 1 . 1 1 26 26 GLN HA H 26 4.429 4.429 4.381 0.048 25816 108 1 . 1 1 26 26 GLN CA C 26 54.587 54.587 57.230 -2.643 25816 109 1 . 1 1 26 26 GLN CB C 26 30.276 30.276 29.283 0.993 25816 110 1 . 1 1 26 26 GLN H H 26 9.093 9.093 8.578 0.515 25816 111 1 . 1 1 27 27 GLU N N 27 118.722 118.722 117.589 1.133 25816 112 1 . 1 1 27 27 GLU CA C 27 54.964 54.964 54.866 0.099 25816 113 1 . 1 1 27 27 GLU CB C 27 33.022 33.022 33.590 -0.568 25816 114 1 . 1 1 27 27 GLU H H 27 7.479 7.479 7.880 -0.401 25816 115 1 . 1 1 28 28 VAL HA H 28 4.443 4.443 4.437 0.006 25816 116 1 . 1 1 28 28 VAL CA C 28 61.155 61.155 61.174 -0.019 25816 117 1 . 1 1 28 28 VAL CB C 28 33.680 33.680 31.520 2.160 25816 118 1 . 1 1 29 29 THR N N 29 124.459 124.459 118.084 6.375 25816 119 1 . 1 1 29 29 THR HA H 29 4.183 4.183 4.356 -0.173 25816 120 1 . 1 1 29 29 THR CA C 29 62.474 62.474 62.690 -0.216 25816 121 1 . 1 1 29 29 THR CB C 29 68.811 68.811 68.812 -0.001 25816 122 1 . 1 1 29 29 THR H H 29 8.009 8.009 8.413 -0.404 25816 123 1 . 1 1 30 30 GLN N N 30 130.053 130.053 119.691 10.362 25816 124 1 . 1 1 30 30 GLN HA H 30 3.522 3.522 4.375 -0.853 25816 125 1 . 1 1 30 30 GLN CA C 30 58.886 58.886 56.633 2.253 25816 126 1 . 1 1 30 30 GLN CB C 30 27.305 27.305 27.721 -0.416 25816 127 1 . 1 1 30 30 GLN H H 30 9.321 9.321 8.318 1.003 25816 128 1 . 1 1 31 31 THR N N 31 111.234 111.234 110.470 0.764 25816 129 1 . 1 1 31 31 THR HA H 31 5.509 5.509 4.477 1.032 25816 130 1 . 1 1 31 31 THR CA C 31 58.798 58.798 61.712 -2.914 25816 131 1 . 1 1 31 31 THR CB C 31 71.374 71.374 69.070 2.304 25816 132 1 . 1 1 31 31 THR H H 31 7.630 7.630 7.765 -0.135 25816 133 1 . 1 1 32 32 TYR N N 32 121.998 121.998 121.262 0.736 25816 134 1 . 1 1 32 32 TYR HA H 32 4.803 4.803 4.864 -0.061 25816 135 1 . 1 1 32 32 TYR CA C 32 54.799 54.799 57.194 -2.395 25816 136 1 . 1 1 32 32 TYR CB C 32 39.718 39.718 41.345 -1.627 25816 137 1 . 1 1 32 32 TYR H H 32 9.359 9.359 7.725 1.634 25816 138 1 . 1 1 33 33 THR N N 33 114.039 114.039 115.096 -1.057 25816 139 1 . 1 1 33 33 THR HA H 33 4.390 4.390 4.488 -0.098 25816 140 1 . 1 1 33 33 THR CA C 33 59.896 59.896 61.068 -1.172 25816 141 1 . 1 1 33 33 THR CB C 33 69.135 69.135 71.003 -1.868 25816 142 1 . 1 1 33 33 THR H H 33 7.985 7.985 8.554 -0.569 25816 143 1 . 1 1 34 34 GLY N N 34 113.445 113.445 108.798 4.647 25816 144 1 . 1 1 34 34 GLY CA C 34 44.072 44.072 45.260 -1.188 25816 145 1 . 1 1 34 34 GLY H H 34 8.698 8.698 8.324 0.374 25816 146 1 . 1 1 35 35 SER N N 35 113.837 113.837 115.578 -1.741 25816 147 1 . 1 1 35 35 SER HA H 35 4.264 4.264 4.296 -0.032 25816 148 1 . 1 1 35 35 SER CA C 35 57.651 57.651 59.393 -1.742 25816 149 1 . 1 1 35 35 SER CB C 35 63.056 63.056 63.486 -0.430 25816 150 1 . 1 1 35 35 SER H H 35 8.039 8.039 8.319 -0.280 25816 151 1 . 1 1 36 36 ASN N N 36 119.749 119.749 119.260 0.489 25816 152 1 . 1 1 36 36 ASN HA H 36 4.584 4.584 4.705 -0.121 25816 153 1 . 1 1 36 36 ASN CA C 36 52.781 52.781 54.013 -1.232 25816 154 1 . 1 1 36 36 ASN CB C 36 37.186 37.186 38.973 -1.787 25816 155 1 . 1 1 36 36 ASN H H 36 8.767 8.767 8.491 0.276 25816 156 1 . 1 1 37 37 GLY N N 37 110.628 110.628 106.143 4.485 25816 157 1 . 1 1 37 37 GLY CA C 37 44.585 44.585 45.200 -0.615 25816 158 1 . 1 1 37 37 GLY H H 37 8.496 8.496 7.981 0.515 25816 159 1 . 1 1 38 38 GLY N N 38 108.654 108.654 108.364 0.290 25816 160 1 . 1 1 38 38 GLY CA C 38 44.100 44.100 45.098 -0.998 25816 161 1 . 1 1 38 38 GLY H H 38 7.955 7.955 7.909 0.046 25816 162 1 . 1 1 39 39 ALA N N 39 123.326 123.326 123.929 -0.603 25816 163 1 . 1 1 39 39 ALA HA H 39 4.211 4.211 4.378 -0.167 25816 164 1 . 1 1 39 39 ALA CA C 39 50.838 50.838 52.356 -1.518 25816 165 1 . 1 1 39 39 ALA CB C 39 18.729 18.729 19.948 -1.219 25816 166 1 . 1 1 39 39 ALA H H 39 8.028 8.028 8.095 -0.067 25816 167 1 . 1 1 40 40 ASP N N 40 119.573 119.573 118.367 1.206 25816 168 1 . 1 1 40 40 ASP HA H 40 4.387 4.387 4.381 0.006 25816 169 1 . 1 1 40 40 ASP CA C 40 53.994 53.994 54.838 -0.844 25816 170 1 . 1 1 40 40 ASP CB C 40 39.627 39.627 40.097 -0.471 25816 171 1 . 1 1 40 40 ASP H H 40 8.261 8.261 8.213 0.048 25816 172 1 . 1 1 41 41 LEU N N 41 123.899 123.899 122.447 1.452 25816 173 1 . 1 1 41 41 LEU HA H 41 4.442 4.442 4.411 0.031 25816 174 1 . 1 1 41 41 LEU CA C 41 52.221 52.221 54.888 -2.667 25816 175 1 . 1 1 41 41 LEU CB C 41 43.009 43.009 44.229 -1.220 25816 176 1 . 1 1 41 41 LEU H H 41 8.663 8.663 8.106 0.557 25816 177 1 . 1 1 42 42 MET N N 42 119.684 119.684 119.515 0.169 25816 178 1 . 1 1 42 42 MET HA H 42 4.730 4.730 4.375 0.355 25816 179 1 . 1 1 42 42 MET CA C 42 54.695 54.695 56.467 -1.772 25816 180 1 . 1 1 42 42 MET CB C 42 32.194 32.194 32.662 -0.468 25816 181 1 . 1 1 42 42 MET H H 42 8.553 8.553 8.184 0.369 25816 182 1 . 1 1 43 43 GLY N N 43 113.052 113.052 110.783 2.269 25816 183 1 . 1 1 43 43 GLY CA C 43 43.378 43.378 46.220 -2.842 25816 184 1 . 1 1 43 43 GLY H H 43 8.618 8.618 8.437 0.181 25816 185 1 . 1 1 44 44 PRO HA H 44 4.720 4.720 4.636 0.083 25816 186 1 . 1 1 44 44 PRO CA C 44 61.231 61.231 64.130 -2.899 25816 187 1 . 1 1 44 44 PRO CB C 44 31.953 31.953 31.487 0.466 25816 188 1 . 1 1 45 45 ALA N N 45 120.693 120.693 122.260 -1.567 25816 189 1 . 1 1 45 45 ALA HA H 45 3.984 3.984 4.229 -0.245 25816 190 1 . 1 1 45 45 ALA CA C 45 53.804 53.804 54.282 -0.478 25816 191 1 . 1 1 45 45 ALA CB C 45 17.967 17.967 18.456 -0.489 25816 192 1 . 1 1 45 45 ALA H H 45 7.524 7.524 7.739 -0.215 25816 193 1 . 1 1 46 46 PHE N N 46 122.306 122.306 119.248 3.058 25816 194 1 . 1 1 46 46 PHE HA H 46 3.962 3.962 4.215 -0.253 25816 195 1 . 1 1 46 46 PHE CA C 46 60.326 60.326 60.117 0.209 25816 196 1 . 1 1 46 46 PHE CB C 46 38.620 38.620 39.198 -0.578 25816 197 1 . 1 1 46 46 PHE H H 46 8.603 8.603 8.227 0.376 25816 198 1 . 1 1 47 47 ALA N N 47 123.253 123.253 121.390 1.863 25816 199 1 . 1 1 47 47 ALA HA H 47 4.088 4.088 4.127 -0.039 25816 200 1 . 1 1 47 47 ALA CA C 47 53.951 53.951 54.274 -0.323 25816 201 1 . 1 1 47 47 ALA CB C 47 17.647 17.647 18.426 -0.779 25816 202 1 . 1 1 47 47 ALA H H 47 9.199 9.199 7.942 1.257 25816 203 1 . 1 1 48 48 ALA N N 48 117.571 117.571 119.059 -1.488 25816 204 1 . 1 1 48 48 ALA HA H 48 4.303 4.303 4.304 -0.001 25816 205 1 . 1 1 48 48 ALA CA C 48 51.687 51.687 51.716 -0.029 25816 206 1 . 1 1 48 48 ALA CB C 48 18.772 18.772 19.854 -1.082 25816 207 1 . 1 1 48 48 ALA H H 48 7.262 7.262 7.567 -0.305 25816 208 1 . 1 1 49 49 GLY N N 49 103.229 103.229 107.322 -4.093 25816 209 1 . 1 1 49 49 GLY CA C 49 43.619 43.619 44.895 -1.276 25816 210 1 . 1 1 49 49 GLY H H 49 7.461 7.461 7.758 -0.297 25816 211 1 . 1 1 50 50 LEU N N 50 120.470 120.470 121.283 -0.813 25816 212 1 . 1 1 50 50 LEU HA H 50 3.518 3.518 4.082 -0.564 25816 213 1 . 1 1 50 50 LEU CA C 50 54.412 54.412 55.670 -1.258 25816 214 1 . 1 1 50 50 LEU CB C 50 40.955 40.955 41.108 -0.153 25816 215 1 . 1 1 50 50 LEU H H 50 7.224 7.224 7.661 -0.437 25816 216 1 . 1 1 51 51 ARG N N 51 119.645 119.645 123.589 -3.944 25816 217 1 . 1 1 51 51 ARG CA C 51 52.491 52.491 53.897 -1.406 25816 218 1 . 1 1 51 51 ARG CB C 51 33.816 33.816 34.693 -0.877 25816 219 1 . 1 1 51 51 ARG H H 51 8.678 8.678 8.133 0.545 25816 220 1 . 1 1 52 52 VAL N N 52 119.995 119.995 118.296 1.699 25816 221 1 . 1 1 52 52 VAL HA H 52 3.223 3.223 3.895 -0.672 25816 222 1 . 1 1 52 52 VAL CA C 52 64.218 64.218 63.471 0.747 25816 223 1 . 1 1 52 52 VAL CB C 52 30.149 30.149 31.135 -0.986 25816 224 1 . 1 1 52 52 VAL H H 52 8.482 8.482 8.268 0.214 25816 225 1 . 1 1 53 53 GLY N N 53 117.052 117.052 114.929 2.123 25816 226 1 . 1 1 53 53 GLY CA C 53 43.425 43.425 44.892 -1.467 25816 227 1 . 1 1 53 53 GLY H H 53 9.122 9.122 9.039 0.083 25816 228 1 . 1 1 54 54 ASP N N 54 124.203 124.203 121.149 3.054 25816 229 1 . 1 1 54 54 ASP HA H 54 4.833 4.833 5.038 -0.205 25816 230 1 . 1 1 54 54 ASP CA C 54 54.734 54.734 53.549 1.185 25816 231 1 . 1 1 54 54 ASP CB C 54 40.279 40.279 42.277 -1.998 25816 232 1 . 1 1 54 54 ASP H H 54 7.848 7.848 7.713 0.135 25816 233 1 . 1 1 55 55 GLN N N 55 121.703 121.703 122.183 -0.480 25816 234 1 . 1 1 55 55 GLN HA H 55 4.867 4.867 4.719 0.148 25816 235 1 . 1 1 55 55 GLN CA C 55 53.526 53.526 55.360 -1.834 25816 236 1 . 1 1 55 55 GLN CB C 55 29.032 29.032 30.056 -1.024 25816 237 1 . 1 1 55 55 GLN H H 55 9.158 9.158 8.395 0.763 25816 238 1 . 1 1 56 56 LEU N N 56 124.733 124.733 126.557 -1.824 25816 239 1 . 1 1 56 56 LEU HA H 56 4.187 4.187 4.554 -0.367 25816 240 1 . 1 1 56 56 LEU CA C 56 55.195 55.195 54.336 0.859 25816 241 1 . 1 1 56 56 LEU CB C 56 42.013 42.013 42.173 -0.160 25816 242 1 . 1 1 56 56 LEU H H 56 8.770 8.770 8.388 0.382 25816 243 1 . 1 1 57 57 VAL N N 57 123.383 123.383 121.235 2.148 25816 244 1 . 1 1 57 57 VAL HA H 57 4.308 4.308 4.371 -0.063 25816 245 1 . 1 1 57 57 VAL CA C 57 63.143 63.143 61.927 1.216 25816 246 1 . 1 1 57 57 VAL CB C 57 32.635 32.635 33.069 -0.434 25816 247 1 . 1 1 57 57 VAL H H 57 8.889 8.889 8.052 0.837 25816 248 1 . 1 1 58 58 ARG N N 58 118.094 118.094 118.548 -0.454 25816 249 1 . 1 1 58 58 ARG HA H 58 5.338 5.338 4.139 1.199 25816 250 1 . 1 1 58 58 ARG CA C 58 54.212 54.212 57.647 -3.435 25816 251 1 . 1 1 58 58 ARG CB C 58 34.613 34.613 30.504 4.109 25816 252 1 . 1 1 58 58 ARG H H 58 8.531 8.531 8.131 0.400 25816 253 1 . 1 1 59 59 PHE N N 59 123.332 123.332 118.828 4.504 25816 254 1 . 1 1 59 59 PHE HA H 59 4.935 4.935 4.689 0.246 25816 255 1 . 1 1 59 59 PHE CA C 59 56.856 56.856 56.216 0.640 25816 256 1 . 1 1 59 59 PHE CB C 59 42.971 42.971 40.912 2.059 25816 257 1 . 1 1 59 59 PHE H H 59 9.295 9.295 7.924 1.371 25816 258 1 . 1 1 60 60 ALA N N 60 127.537 127.537 127.522 0.015 25816 259 1 . 1 1 60 60 ALA HA H 60 3.587 3.587 3.910 -0.323 25816 260 1 . 1 1 60 60 ALA CA C 60 52.374 52.374 52.998 -0.624 25816 261 1 . 1 1 60 60 ALA CB C 60 15.473 15.473 17.856 -2.383 25816 262 1 . 1 1 60 60 ALA H H 60 8.356 8.356 8.355 0.001 25816 263 1 . 1 1 61 61 GLY N N 61 103.058 103.058 106.204 -3.146 25816 264 1 . 1 1 61 61 GLY CA C 61 43.787 43.787 44.522 -0.736 25816 265 1 . 1 1 61 61 GLY H H 61 9.178 9.178 7.735 1.443 25816 266 1 . 1 1 62 62 TYR N N 62 120.218 120.218 116.445 3.773 25816 267 1 . 1 1 62 62 TYR HA H 62 4.630 4.630 4.274 0.356 25816 268 1 . 1 1 62 62 TYR CA C 62 56.577 56.577 57.978 -1.401 25816 269 1 . 1 1 62 62 TYR CB C 62 38.892 38.892 35.991 2.901 25816 270 1 . 1 1 62 62 TYR H H 62 7.888 7.888 7.313 0.575 25816 271 1 . 1 1 63 63 THR N N 63 120.933 120.933 113.207 7.726 25816 272 1 . 1 1 63 63 THR HA H 63 4.479 4.479 4.789 -0.310 25816 273 1 . 1 1 63 63 THR CA C 63 62.851 62.851 61.655 1.196 25816 274 1 . 1 1 63 63 THR CB C 63 67.848 67.848 70.885 -3.037 25816 275 1 . 1 1 63 63 THR H H 63 9.108 9.108 7.898 1.210 25816 276 1 . 1 1 64 64 VAL N N 64 121.039 121.039 124.536 -3.498 25816 277 1 . 1 1 64 64 VAL HA H 64 4.599 4.599 4.585 0.014 25816 278 1 . 1 1 64 64 VAL CA C 64 58.867 58.867 60.142 -1.275 25816 279 1 . 1 1 64 64 VAL CB C 64 33.004 33.004 34.999 -1.995 25816 280 1 . 1 1 64 64 VAL H H 64 7.782 7.782 8.478 -0.696 25816 281 1 . 1 1 65 65 THR N N 65 114.373 114.373 118.155 -3.782 25816 282 1 . 1 1 65 65 THR HA H 65 4.452 4.452 4.377 0.075 25816 283 1 . 1 1 65 65 THR CA C 65 60.536 60.536 63.265 -2.729 25816 284 1 . 1 1 65 65 THR CB C 65 69.037 69.037 69.329 -0.292 25816 285 1 . 1 1 65 65 THR H H 65 9.053 9.053 8.393 0.660 25816 286 1 . 1 1 66 66 GLU N N 66 115.766 115.766 119.258 -3.491 25816 287 1 . 1 1 66 66 GLU HA H 66 4.563 4.563 4.513 0.050 25816 288 1 . 1 1 66 66 GLU CA C 66 53.387 53.387 55.632 -2.245 25816 289 1 . 1 1 66 66 GLU CB C 66 31.565 31.565 31.115 0.450 25816 290 1 . 1 1 66 66 GLU H H 66 7.345 7.345 7.814 -0.469 25816 291 1 . 1 1 67 67 LEU N N 67 124.674 124.674 117.950 6.724 25816 292 1 . 1 1 67 67 LEU HA H 67 3.934 3.934 4.579 -0.645 25816 293 1 . 1 1 67 67 LEU CA C 67 57.535 57.535 57.716 -0.181 25816 294 1 . 1 1 67 67 LEU CB C 67 41.053 41.053 40.961 0.092 25816 295 1 . 1 1 67 67 LEU H H 67 8.906 8.906 8.501 0.405 25816 296 1 . 1 1 68 68 ALA N N 68 120.493 120.493 122.102 -1.609 25816 297 1 . 1 1 68 68 ALA HA H 68 4.136 4.136 3.994 0.142 25816 298 1 . 1 1 68 68 ALA CA C 68 54.674 54.674 55.047 -0.373 25816 299 1 . 1 1 68 68 ALA CB C 68 16.521 16.521 17.848 -1.327 25816 300 1 . 1 1 68 68 ALA H H 68 9.022 9.022 8.430 0.592 25816 301 1 . 1 1 69 69 ALA N N 69 119.695 119.695 121.304 -1.609 25816 302 1 . 1 1 69 69 ALA HA H 69 4.162 4.162 4.155 0.007 25816 303 1 . 1 1 69 69 ALA CA C 69 54.020 54.020 54.735 -0.715 25816 304 1 . 1 1 69 69 ALA CB C 69 17.663 17.663 18.425 -0.762 25816 305 1 . 1 1 69 69 ALA H H 69 7.258 7.258 7.669 -0.411 25816 306 1 . 1 1 70 70 PHE N N 70 119.274 119.274 119.175 0.099 25816 307 1 . 1 1 70 70 PHE HA H 70 3.959 3.959 4.190 -0.231 25816 308 1 . 1 1 70 70 PHE CA C 70 60.960 60.960 60.829 0.131 25816 309 1 . 1 1 70 70 PHE CB C 70 38.432 38.432 39.400 -0.968 25816 310 1 . 1 1 70 70 PHE H H 70 7.769 7.769 7.739 0.030 25816 311 1 . 1 1 71 71 ASN N N 71 117.363 117.363 117.948 -0.585 25816 312 1 . 1 1 71 71 ASN HA H 71 4.102 4.102 4.391 -0.289 25816 313 1 . 1 1 71 71 ASN CA C 71 54.697 54.697 56.143 -1.446 25816 314 1 . 1 1 71 71 ASN CB C 71 36.073 36.073 38.566 -2.493 25816 315 1 . 1 1 71 71 ASN H H 71 8.801 8.801 8.599 0.202 25816 316 1 . 1 1 72 72 THR N N 72 119.746 119.746 116.111 3.635 25816 317 1 . 1 1 72 72 THR HA H 72 4.220 4.220 4.018 0.202 25816 318 1 . 1 1 72 72 THR CA C 72 65.927 65.927 66.553 -0.626 25816 319 1 . 1 1 72 72 THR CB C 72 67.600 67.600 68.734 -1.134 25816 320 1 . 1 1 72 72 THR H H 72 8.109 8.109 7.883 0.226 25816 321 1 . 1 1 73 73 VAL N N 73 123.156 123.156 121.005 2.151 25816 322 1 . 1 1 73 73 VAL HA H 73 3.455 3.455 3.474 -0.019 25816 323 1 . 1 1 73 73 VAL CA C 73 66.156 66.156 66.177 -0.021 25816 324 1 . 1 1 73 73 VAL CB C 73 30.336 30.336 30.947 -0.611 25816 325 1 . 1 1 73 73 VAL H H 73 7.744 7.744 7.814 -0.070 25816 326 1 . 1 1 74 74 VAL N N 74 120.420 120.420 119.380 1.040 25816 327 1 . 1 1 74 74 VAL HA H 74 3.366 3.366 3.507 -0.141 25816 328 1 . 1 1 74 74 VAL CA C 74 65.598 65.598 65.618 -0.020 25816 329 1 . 1 1 74 74 VAL CB C 74 30.485 30.485 31.116 -0.631 25816 330 1 . 1 1 74 74 VAL H H 74 8.154 8.154 7.590 0.564 25816 331 1 . 1 1 75 75 ALA N N 75 120.206 120.206 120.764 -0.558 25816 332 1 . 1 1 75 75 ALA HA H 75 3.995 3.995 4.009 -0.014 25816 333 1 . 1 1 75 75 ALA CA C 75 53.999 53.999 54.576 -0.577 25816 334 1 . 1 1 75 75 ALA CB C 75 16.964 16.964 18.606 -1.642 25816 335 1 . 1 1 75 75 ALA H H 75 7.788 7.788 7.750 0.038 25816 336 1 . 1 1 76 76 ARG N N 76 114.701 114.701 116.646 -1.945 25816 337 1 . 1 1 76 76 ARG HA H 76 4.085 4.085 4.061 0.024 25816 338 1 . 1 1 76 76 ARG CA C 76 56.982 56.982 57.662 -0.680 25816 339 1 . 1 1 76 76 ARG CB C 76 30.684 30.684 29.965 0.719 25816 340 1 . 1 1 76 76 ARG H H 76 7.705 7.705 7.954 -0.249 25816 341 1 . 1 1 77 77 HIS N N 77 112.695 112.695 117.502 -4.807 25816 342 1 . 1 1 77 77 HIS HA H 77 4.810 4.810 4.577 0.233 25816 343 1 . 1 1 77 77 HIS CA C 77 56.161 56.161 55.517 0.644 25816 344 1 . 1 1 77 77 HIS CB C 77 31.033 31.033 29.269 1.764 25816 345 1 . 1 1 77 77 HIS H H 77 8.123 8.123 7.587 0.536 25816 346 1 . 1 1 78 78 VAL N N 78 119.219 119.219 119.270 -0.051 25816 347 1 . 1 1 78 78 VAL HA H 78 3.893 3.893 4.086 -0.193 25816 348 1 . 1 1 78 78 VAL CA C 78 63.565 63.565 61.723 1.842 25816 349 1 . 1 1 78 78 VAL CB C 78 29.128 29.128 31.473 -2.345 25816 350 1 . 1 1 78 78 VAL H H 78 8.034 8.034 7.774 0.260 25816 351 1 . 1 1 79 79 ARG N N 79 126.908 126.908 122.022 4.886 25816 352 1 . 1 1 79 79 ARG CA C 79 51.361 51.361 54.097 -2.736 25816 353 1 . 1 1 79 79 ARG CB C 79 30.191 30.191 30.896 -0.705 25816 354 1 . 1 1 79 79 ARG H H 79 7.023 7.023 7.899 -0.876 25816 355 1 . 1 1 80 80 PRO HA H 80 4.025 4.025 4.404 -0.379 25816 356 1 . 1 1 80 80 PRO CA C 80 63.570 63.570 63.697 -0.127 25816 357 1 . 1 1 80 80 PRO CB C 80 31.212 31.212 31.776 -0.564 25816 358 1 . 1 1 81 81 SER N N 81 115.039 115.039 114.725 0.314 25816 359 1 . 1 1 81 81 SER HA H 81 4.047 4.047 4.293 -0.246 25816 360 1 . 1 1 81 81 SER CA C 81 60.713 60.713 58.625 2.088 25816 361 1 . 1 1 81 81 SER H H 81 8.210 8.210 8.059 0.151 25816 362 1 . 1 1 82 82 ALA N N 82 123.546 123.546 125.276 -1.730 25816 363 1 . 1 1 82 82 ALA HA H 82 4.346 4.346 4.600 -0.254 25816 364 1 . 1 1 82 82 ALA CA C 82 51.506 51.506 51.438 0.067 25816 365 1 . 1 1 82 82 ALA CB C 82 19.095 19.095 20.938 -1.843 25816 366 1 . 1 1 82 82 ALA H H 82 7.770 7.770 7.582 0.188 25816 367 1 . 1 1 83 83 SER N N 83 116.753 116.753 118.824 -2.071 25816 368 1 . 1 1 83 83 SER HA H 83 5.129 5.129 4.935 0.194 25816 369 1 . 1 1 83 83 SER CA C 83 56.582 56.582 57.648 -1.066 25816 370 1 . 1 1 83 83 SER CB C 83 62.554 62.554 63.440 -0.886 25816 371 1 . 1 1 83 83 SER H H 83 8.524 8.524 8.550 -0.026 25816 372 1 . 1 1 84 84 ILE N N 84 126.985 126.985 125.770 1.215 25816 373 1 . 1 1 84 84 ILE CA C 84 54.786 54.786 57.434 -2.648 25816 374 1 . 1 1 84 84 ILE CB C 84 38.424 38.424 39.865 -1.442 25816 375 1 . 1 1 84 84 ILE H H 84 9.599 9.599 8.005 1.594 25816 376 1 . 1 1 85 85 PRO HA H 85 4.945 4.945 4.488 0.457 25816 377 1 . 1 1 85 85 PRO CA C 85 61.554 61.554 62.655 -1.101 25816 378 1 . 1 1 85 85 PRO CB C 85 31.427 31.427 31.171 0.256 25816 379 1 . 1 1 86 86 VAL N N 86 123.811 123.811 126.002 -2.191 25816 380 1 . 1 1 86 86 VAL HA H 86 4.849 4.849 4.358 0.491 25816 381 1 . 1 1 86 86 VAL CA C 86 59.773 59.773 61.111 -1.338 25816 382 1 . 1 1 86 86 VAL CB C 86 34.644 34.644 34.926 -0.282 25816 383 1 . 1 1 86 86 VAL H H 86 9.033 9.033 7.866 1.167 25816 384 1 . 1 1 87 87 VAL N N 87 127.839 127.839 126.233 1.606 25816 385 1 . 1 1 87 87 VAL HA H 87 4.972 4.972 4.225 0.747 25816 386 1 . 1 1 87 87 VAL CA C 87 60.693 60.693 61.891 -1.198 25816 387 1 . 1 1 87 87 VAL CB C 87 32.418 32.418 32.164 0.254 25816 388 1 . 1 1 87 87 VAL H H 87 9.132 9.132 8.592 0.540 25816 389 1 . 1 1 88 88 PHE N N 88 127.301 127.301 127.543 -0.242 25816 390 1 . 1 1 88 88 PHE HA H 88 5.618 5.618 5.563 0.055 25816 391 1 . 1 1 88 88 PHE CA C 88 54.211 54.211 55.046 -0.834 25816 392 1 . 1 1 88 88 PHE CB C 88 41.002 41.002 42.655 -1.653 25816 393 1 . 1 1 88 88 PHE H H 88 9.248 9.248 8.080 1.168 25816 394 1 . 1 1 89 89 SER N N 89 113.734 113.734 116.579 -2.845 25816 395 1 . 1 1 89 89 SER HA H 89 5.336 5.336 4.733 0.603 25816 396 1 . 1 1 89 89 SER CA C 89 54.452 54.452 56.683 -2.231 25816 397 1 . 1 1 89 89 SER CB C 89 64.474 64.474 66.084 -1.610 25816 398 1 . 1 1 89 89 SER H H 89 9.689 9.689 8.063 1.626 25816 399 1 . 1 1 90 90 ARG N N 90 128.114 128.114 124.284 3.830 25816 400 1 . 1 1 90 90 ARG HA H 90 4.747 4.747 4.553 0.194 25816 401 1 . 1 1 90 90 ARG CA C 90 54.122 54.122 55.119 -0.997 25816 402 1 . 1 1 90 90 ARG CB C 90 32.336 32.336 31.047 1.289 25816 403 1 . 1 1 90 90 ARG H H 90 8.561 8.561 7.870 0.692 25816 404 1 . 1 1 91 91 ASP N N 91 129.790 129.790 123.423 6.367 25816 405 1 . 1 1 91 91 ASP HA H 91 4.269 4.269 4.381 -0.112 25816 406 1 . 1 1 91 91 ASP CA C 91 54.501 54.501 55.074 -0.573 25816 407 1 . 1 1 91 91 ASP CB C 91 39.081 39.081 38.931 0.150 25816 408 1 . 1 1 91 91 ASP H H 91 9.461 9.461 8.817 0.644 25816 409 1 . 1 1 92 92 GLY N N 92 102.404 102.404 103.159 -0.755 25816 410 1 . 1 1 92 92 GLY CA C 92 44.305 44.305 44.971 -0.666 25816 411 1 . 1 1 92 92 GLY H H 92 8.391 8.391 8.364 0.027 25816 412 1 . 1 1 93 93 VAL N N 93 123.090 123.090 122.109 0.981 25816 413 1 . 1 1 93 93 VAL HA H 93 4.002 4.002 3.871 0.131 25816 414 1 . 1 1 93 93 VAL CA C 93 61.266 61.266 63.100 -1.834 25816 415 1 . 1 1 93 93 VAL CB C 93 31.818 31.818 32.454 -0.636 25816 416 1 . 1 1 93 93 VAL H H 93 7.682 7.682 7.039 0.643 25816 417 1 . 1 1 94 94 VAL N N 94 128.414 128.414 126.910 1.504 25816 418 1 . 1 1 94 94 VAL HA H 94 4.134 4.134 4.101 0.033 25816 419 1 . 1 1 94 94 VAL CA C 94 62.340 62.340 61.196 1.144 25816 420 1 . 1 1 94 94 VAL CB C 94 30.116 30.116 32.566 -2.450 25816 421 1 . 1 1 94 94 VAL H H 94 8.400 8.400 8.165 0.235 25816 422 1 . 1 1 95 95 MET N N 95 129.196 129.196 128.807 0.389 25816 423 1 . 1 1 95 95 MET HA H 95 4.352 4.352 4.857 -0.505 25816 424 1 . 1 1 95 95 MET CA C 95 53.674 53.674 54.110 -0.436 25816 425 1 . 1 1 95 95 MET CB C 95 36.104 36.104 37.137 -1.033 25816 426 1 . 1 1 95 95 MET H H 95 9.100 9.100 8.269 0.831 25816 427 1 . 1 1 96 96 SER N N 96 111.540 111.540 116.274 -4.734 25816 428 1 . 1 1 96 96 SER HA H 96 5.469 5.469 4.867 0.602 25816 429 1 . 1 1 96 96 SER CA C 96 55.830 55.830 57.365 -1.535 25816 430 1 . 1 1 96 96 SER CB C 96 65.471 65.471 64.794 0.677 25816 431 1 . 1 1 96 96 SER H H 96 8.004 8.004 8.378 -0.374 25816 432 1 . 1 1 97 97 ALA N N 97 124.079 124.079 128.462 -4.383 25816 433 1 . 1 1 97 97 ALA HA H 97 4.788 4.788 4.758 0.030 25816 434 1 . 1 1 97 97 ALA CA C 97 50.399 50.399 51.937 -1.538 25816 435 1 . 1 1 97 97 ALA CB C 97 22.544 22.544 22.036 0.508 25816 436 1 . 1 1 97 97 ALA H H 97 9.145 9.145 8.231 0.914 25816 437 1 . 1 1 98 98 THR N N 98 117.342 117.342 118.422 -1.080 25816 438 1 . 1 1 98 98 THR HA H 98 4.823 4.823 4.621 0.202 25816 439 1 . 1 1 98 98 THR CA C 98 61.053 61.053 61.932 -0.879 25816 440 1 . 1 1 98 98 THR CB C 98 69.913 69.913 69.472 0.441 25816 441 1 . 1 1 98 98 THR H H 98 8.754 8.754 8.383 0.371 25816 442 1 . 1 1 99 99 ILE N N 99 125.689 125.689 125.725 -0.036 25816 443 1 . 1 1 99 99 ILE HA H 99 4.111 4.111 4.450 -0.339 25816 444 1 . 1 1 99 99 ILE CA C 99 59.369 59.369 60.437 -1.068 25816 445 1 . 1 1 99 99 ILE CB C 99 39.691 39.691 38.738 0.954 25816 446 1 . 1 1 99 99 ILE H H 99 8.868 8.868 8.025 0.843 25816 447 1 . 1 1 100 100 VAL N N 100 129.871 129.871 124.297 5.574 25816 448 1 . 1 1 100 100 VAL HA H 100 4.666 4.666 4.709 -0.043 25816 449 1 . 1 1 100 100 VAL CA C 100 60.867 60.867 60.419 0.448 25816 450 1 . 1 1 100 100 VAL CB C 100 29.610 29.610 31.298 -1.688 25816 451 1 . 1 1 100 100 VAL H H 100 8.818 8.818 8.463 0.355 25816 452 1 . 1 1 101 101 VAL N N 101 128.299 128.299 127.393 0.906 25816 453 1 . 1 1 101 101 VAL HA H 101 3.369 3.369 4.227 -0.858 25816 454 1 . 1 1 101 101 VAL CA C 101 64.327 64.327 62.055 2.272 25816 455 1 . 1 1 101 101 VAL CB C 101 30.974 30.974 31.992 -1.018 25816 456 1 . 1 1 101 101 VAL H H 101 8.795 8.795 7.752 1.043 25816 457 1 . 1 1 102 102 GLY N N 102 115.466 115.466 115.186 0.280 25816 458 1 . 1 1 102 102 GLY CA C 102 43.680 43.680 44.390 -0.710 25816 459 1 . 1 1 102 102 GLY H H 102 8.393 8.393 8.505 -0.112 25816 460 1 . 1 1 103 103 GLU N N 103 119.459 119.459 123.245 -3.787 25816 461 1 . 1 1 103 103 GLU HA H 103 4.955 4.955 4.408 0.547 25816 462 1 . 1 1 103 103 GLU CA C 103 54.746 54.746 56.544 -1.798 25816 463 1 . 1 1 103 103 GLU CB C 103 32.201 32.201 30.330 1.871 25816 464 1 . 1 1 103 103 GLU H H 103 8.386 8.386 8.308 0.078 25816 465 1 . 1 1 104 104 LEU N N 104 123.881 123.881 118.633 5.248 25816 466 1 . 1 1 104 104 LEU HA H 104 4.700 4.700 4.404 0.296 25816 467 1 . 1 1 104 104 LEU CA C 104 52.567 52.567 54.887 -2.320 25816 468 1 . 1 1 104 104 LEU CB C 104 44.058 44.058 42.196 1.862 25816 469 1 . 1 1 104 104 LEU H H 104 8.735 8.735 8.019 0.716 25816 stop_ save_