data_17536 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17536 _Entry.PDB_ID 2LAS 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 17536 _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 21 21 TYR N N 21 118.396 118.396 120.321 -1.925 17536 2 1 1 . 1 1 21 21 TYR CA C 21 57.147 57.147 58.104 -0.957 17536 3 1 1 . 1 1 21 21 TYR CB C 21 40.823 40.823 39.557 1.266 17536 4 1 1 . 1 1 21 21 TYR H H 21 8.286 8.286 8.021 0.265 17536 5 1 1 . 1 1 22 22 ILE N N 22 116.826 116.826 118.856 -2.030 17536 6 1 1 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.473 -0.274 17536 7 1 1 . 1 1 22 22 ILE CB C 22 41.725 41.725 41.424 0.301 17536 8 1 1 . 1 1 22 22 ILE H H 22 9.062 9.062 8.448 0.614 17536 9 1 1 . 1 1 23 23 LYS N N 23 125.020 125.020 125.746 -0.726 17536 10 1 1 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.660 -1.599 17536 11 1 1 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.583 0.012 17536 12 1 1 . 1 1 23 23 LYS H H 23 8.626 8.626 8.528 0.098 17536 13 1 1 . 1 1 24 24 LEU N N 24 125.519 125.519 129.353 -3.834 17536 14 1 1 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.812 -1.669 17536 15 1 1 . 1 1 24 24 LEU CB C 24 33.273 33.273 42.812 -9.539 17536 16 1 1 . 1 1 24 24 LEU H H 24 9.235 9.235 8.662 0.573 17536 17 1 1 . 1 1 25 25 LYS N N 25 120.608 120.608 125.904 -5.296 17536 18 1 1 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.416 -1.438 17536 19 1 1 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.397 0.661 17536 20 1 1 . 1 1 25 25 LYS H H 25 8.769 8.769 8.057 0.712 17536 21 1 1 . 1 1 26 26 VAL N N 26 124.031 124.031 126.727 -2.696 17536 22 1 1 . 1 1 26 26 VAL CA C 26 61.238 61.238 61.697 -0.459 17536 23 1 1 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.480 0.540 17536 24 1 1 . 1 1 26 26 VAL H H 26 9.330 9.330 7.840 1.490 17536 25 1 1 . 1 1 27 27 ILE N N 27 128.203 128.203 128.507 -0.304 17536 26 1 1 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.437 -0.689 17536 27 1 1 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.728 0.921 17536 28 1 1 . 1 1 27 27 ILE H H 27 8.996 8.996 7.598 1.398 17536 29 1 1 . 1 1 28 28 GLY N N 28 113.380 113.380 114.252 -0.872 17536 30 1 1 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.242 -0.716 17536 31 1 1 . 1 1 28 28 GLY H H 28 8.520 8.520 8.329 0.191 17536 32 1 1 . 1 1 29 29 GLN N N 29 120.798 120.798 118.454 2.344 17536 33 1 1 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.606 1.507 17536 34 1 1 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.055 -0.332 17536 35 1 1 . 1 1 29 29 GLN H H 29 8.683 8.683 8.596 0.087 17536 36 1 1 . 1 1 30 30 ASP N N 30 118.553 118.553 118.411 0.142 17536 37 1 1 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.814 -0.925 17536 38 1 1 . 1 1 30 30 ASP CB C 30 39.011 39.011 40.035 -1.024 17536 39 1 1 . 1 1 30 30 ASP H H 30 8.427 8.427 7.800 0.627 17536 40 1 1 . 1 1 31 31 SER N N 31 111.431 111.431 114.474 -3.043 17536 41 1 1 . 1 1 31 31 SER CA C 31 60.317 60.317 59.626 0.691 17536 42 1 1 . 1 1 31 31 SER CB C 31 61.567 61.567 63.176 -1.609 17536 43 1 1 . 1 1 31 31 SER H H 31 7.998 7.998 8.603 -0.605 17536 44 1 1 . 1 1 32 32 SER N N 32 117.290 117.290 117.647 -0.357 17536 45 1 1 . 1 1 32 32 SER CA C 32 58.422 58.422 57.937 0.485 17536 46 1 1 . 1 1 32 32 SER CB C 32 63.318 63.318 63.373 -0.055 17536 47 1 1 . 1 1 32 32 SER H H 32 7.981 7.981 7.885 0.096 17536 48 1 1 . 1 1 33 33 GLU N N 33 121.975 121.975 128.938 -6.963 17536 49 1 1 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.861 0.818 17536 50 1 1 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.392 5.482 17536 51 1 1 . 1 1 33 33 GLU H H 33 8.661 8.661 8.115 0.546 17536 52 1 1 . 1 1 34 34 ILE N N 34 124.052 124.052 123.519 0.533 17536 53 1 1 . 1 1 34 34 ILE H H 34 8.912 8.912 8.198 0.714 17536 54 1 1 . 1 1 35 35 HIS N N 35 126.451 126.451 124.789 1.662 17536 55 1 1 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.984 2.273 17536 56 1 1 . 1 1 35 35 HIS H H 35 9.311 9.311 8.620 0.691 17536 57 1 1 . 1 1 36 36 PHE N N 36 121.806 121.806 124.797 -2.991 17536 58 1 1 . 1 1 36 36 PHE H H 36 9.521 9.521 8.540 0.981 17536 59 1 1 . 1 1 37 37 LYS N N 37 121.707 121.707 124.980 -3.273 17536 60 1 1 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.252 0.464 17536 61 1 1 . 1 1 37 37 LYS CB C 37 33.375 33.375 34.048 -0.673 17536 62 1 1 . 1 1 37 37 LYS H H 37 9.572 9.572 8.523 1.049 17536 63 1 1 . 1 1 38 38 VAL N N 38 120.042 120.042 125.034 -4.992 17536 64 1 1 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.227 -1.593 17536 65 1 1 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.698 0.135 17536 66 1 1 . 1 1 38 38 VAL H H 38 9.127 9.127 8.180 0.947 17536 67 1 1 . 1 1 39 39 LYS N N 39 123.275 123.275 124.690 -1.415 17536 68 1 1 . 1 1 39 39 LYS CA C 39 56.199 56.199 56.061 0.138 17536 69 1 1 . 1 1 39 39 LYS CB C 39 31.498 31.498 33.158 -1.661 17536 70 1 1 . 1 1 39 39 LYS H H 39 8.112 8.112 8.451 -0.339 17536 71 1 1 . 1 1 40 40 MET N N 40 119.217 119.217 120.631 -1.414 17536 72 1 1 . 1 1 40 40 MET CA C 40 56.982 56.982 57.732 -0.750 17536 73 1 1 . 1 1 40 40 MET CB C 40 30.542 30.542 32.655 -2.113 17536 74 1 1 . 1 1 40 40 MET H H 40 8.436 8.436 8.205 0.231 17536 75 1 1 . 1 1 41 41 THR N N 41 126.854 126.854 110.668 16.186 17536 76 1 1 . 1 1 41 41 THR CA C 41 59.606 59.606 62.735 -3.129 17536 77 1 1 . 1 1 41 41 THR CB C 41 68.156 68.156 69.260 -1.104 17536 78 1 1 . 1 1 41 41 THR H H 41 6.958 6.958 7.916 -0.958 17536 79 1 1 . 1 1 42 42 THR N N 42 122.773 122.773 114.766 8.007 17536 80 1 1 . 1 1 42 42 THR CB C 42 69.362 69.362 70.019 -0.657 17536 81 1 1 . 1 1 42 42 THR H H 42 7.452 7.452 7.682 -0.230 17536 82 1 1 . 1 1 43 43 HIS N N 43 124.643 124.643 119.473 5.170 17536 83 1 1 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.386 -0.668 17536 84 1 1 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.927 -1.855 17536 85 1 1 . 1 1 43 43 HIS H H 43 8.544 8.544 8.190 0.354 17536 86 1 1 . 1 1 44 44 LEU N N 44 124.399 124.399 121.170 3.229 17536 87 1 1 . 1 1 44 44 LEU CA C 44 57.612 57.612 55.806 1.806 17536 88 1 1 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.289 -1.561 17536 89 1 1 . 1 1 44 44 LEU H H 44 9.406 9.406 8.374 1.032 17536 90 1 1 . 1 1 45 45 LYS N N 45 122.482 122.482 120.098 2.384 17536 91 1 1 . 1 1 45 45 LYS H H 45 8.871 8.871 8.480 0.391 17536 92 1 1 . 1 1 46 46 LYS N N 46 114.179 114.179 118.007 -3.828 17536 93 1 1 . 1 1 46 46 LYS H H 46 8.202 8.202 7.640 0.562 17536 94 1 1 . 1 1 47 47 LEU N N 47 120.590 120.590 120.969 -0.379 17536 95 1 1 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.510 -0.734 17536 96 1 1 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.795 -0.274 17536 97 1 1 . 1 1 47 47 LEU H H 47 6.773 6.773 7.709 -0.936 17536 98 1 1 . 1 1 48 48 LYS N N 48 118.663 118.663 119.099 -0.436 17536 99 1 1 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.643 -0.385 17536 100 1 1 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.127 -1.006 17536 101 1 1 . 1 1 48 48 LYS H H 48 7.643 7.643 7.682 -0.039 17536 102 1 1 . 1 1 49 49 GLU N N 49 117.638 117.638 119.426 -1.788 17536 103 1 1 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.663 -0.553 17536 104 1 1 . 1 1 49 49 GLU H H 49 8.573 8.573 7.729 0.844 17536 105 1 1 . 1 1 50 50 SER N N 50 114.362 114.362 116.287 -1.925 17536 106 1 1 . 1 1 50 50 SER H H 50 7.402 7.402 8.086 -0.684 17536 107 1 1 . 1 1 51 51 TYR N N 51 120.627 120.627 122.560 -1.933 17536 108 1 1 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.206 1.808 17536 109 1 1 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.752 -0.989 17536 110 1 1 . 1 1 51 51 TYR H H 51 8.770 8.770 7.921 0.849 17536 111 1 1 . 1 1 52 52 CYS N N 52 117.068 117.068 116.198 0.870 17536 112 1 1 . 1 1 52 52 CYS CA C 52 64.636 64.636 62.877 1.760 17536 113 1 1 . 1 1 52 52 CYS CB C 52 25.452 25.452 28.112 -2.660 17536 114 1 1 . 1 1 52 52 CYS H H 52 8.814 8.814 7.926 0.888 17536 115 1 1 . 1 1 53 53 GLN N N 53 119.373 119.373 119.441 -0.068 17536 116 1 1 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.007 0.379 17536 117 1 1 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.064 -0.712 17536 118 1 1 . 1 1 53 53 GLN H H 53 8.357 8.357 8.059 0.298 17536 119 1 1 . 1 1 54 54 ARG N N 54 120.169 120.169 118.428 1.741 17536 120 1 1 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.443 0.688 17536 121 1 1 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.271 -2.234 17536 122 1 1 . 1 1 54 54 ARG H H 54 7.932 7.932 7.761 0.171 17536 123 1 1 . 1 1 55 55 GLN N N 55 114.184 114.184 117.365 -3.181 17536 124 1 1 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.466 -0.450 17536 125 1 1 . 1 1 55 55 GLN CB C 55 28.691 28.691 30.303 -1.612 17536 126 1 1 . 1 1 55 55 GLN H H 55 7.869 7.869 7.330 0.539 17536 127 1 1 . 1 1 56 56 GLY N N 56 109.634 109.634 108.995 0.639 17536 128 1 1 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.768 0.236 17536 129 1 1 . 1 1 56 56 GLY H H 56 7.935 7.935 7.782 0.153 17536 130 1 1 . 1 1 57 57 VAL N N 57 112.345 112.345 120.773 -8.428 17536 131 1 1 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.919 -1.704 17536 132 1 1 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.299 -3.094 17536 133 1 1 . 1 1 57 57 VAL H H 57 7.680 7.680 7.530 0.150 17536 134 1 1 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.162 -1.322 17536 135 1 1 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.576 -1.429 17536 136 1 1 . 1 1 59 59 MET N N 59 124.540 124.540 122.221 2.319 17536 137 1 1 . 1 1 59 59 MET CA C 59 57.840 57.840 58.560 -0.720 17536 138 1 1 . 1 1 59 59 MET CB C 59 31.677 31.677 32.433 -0.756 17536 139 1 1 . 1 1 59 59 MET H H 59 8.991 8.991 8.647 0.344 17536 140 1 1 . 1 1 60 60 ASN N N 60 113.019 113.019 114.366 -1.347 17536 141 1 1 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.309 -1.704 17536 142 1 1 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.775 -1.263 17536 143 1 1 . 1 1 60 60 ASN H H 60 8.412 8.412 8.118 0.294 17536 144 1 1 . 1 1 61 61 SER N N 61 113.126 113.126 115.926 -2.800 17536 145 1 1 . 1 1 61 61 SER CA C 61 59.328 59.328 61.034 -1.706 17536 146 1 1 . 1 1 61 61 SER CB C 61 64.220 64.220 63.492 0.728 17536 147 1 1 . 1 1 61 61 SER H H 61 7.938 7.938 8.221 -0.283 17536 148 1 1 . 1 1 62 62 LEU N N 62 120.885 120.885 116.266 4.619 17536 149 1 1 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.826 -0.575 17536 150 1 1 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.371 1.831 17536 151 1 1 . 1 1 62 62 LEU H H 62 7.264 7.264 7.346 -0.082 17536 152 1 1 . 1 1 63 63 ARG N N 63 120.159 120.159 118.142 2.017 17536 153 1 1 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.688 -1.718 17536 154 1 1 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.984 -0.940 17536 155 1 1 . 1 1 63 63 ARG H H 63 9.050 9.050 7.860 1.190 17536 156 1 1 . 1 1 64 64 PHE N N 64 122.440 122.440 122.895 -0.455 17536 157 1 1 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.973 -0.107 17536 158 1 1 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.509 -1.744 17536 159 1 1 . 1 1 64 64 PHE H H 64 8.880 8.880 9.003 -0.123 17536 160 1 1 . 1 1 65 65 LEU N N 65 124.383 124.383 118.557 5.826 17536 161 1 1 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.724 -0.319 17536 162 1 1 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.800 -0.595 17536 163 1 1 . 1 1 65 65 LEU H H 65 9.773 9.773 9.080 0.693 17536 164 1 1 . 1 1 66 66 PHE N N 66 119.605 119.605 120.050 -0.445 17536 165 1 1 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.725 -0.946 17536 166 1 1 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.061 -2.204 17536 167 1 1 . 1 1 66 66 PHE H H 66 9.020 9.020 9.001 0.019 17536 168 1 1 . 1 1 67 67 GLU N N 67 129.259 129.259 123.039 6.220 17536 169 1 1 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.919 -0.597 17536 170 1 1 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.038 -2.138 17536 171 1 1 . 1 1 67 67 GLU H H 67 9.372 9.372 8.818 0.554 17536 172 1 1 . 1 1 68 68 GLY N N 68 106.230 106.230 104.175 2.055 17536 173 1 1 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.185 -0.370 17536 174 1 1 . 1 1 68 68 GLY H H 68 8.852 8.852 8.585 0.267 17536 175 1 1 . 1 1 69 69 GLN N N 69 120.665 120.665 121.281 -0.616 17536 176 1 1 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.163 -1.656 17536 177 1 1 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.654 0.121 17536 178 1 1 . 1 1 69 69 GLN H H 69 8.012 8.012 7.786 0.226 17536 179 1 1 . 1 1 70 70 ARG N N 70 124.728 124.728 122.233 2.495 17536 180 1 1 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.667 -0.831 17536 181 1 1 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.976 -1.599 17536 182 1 1 . 1 1 70 70 ARG H H 70 8.798 8.798 8.553 0.245 17536 183 1 1 . 1 1 71 71 ILE N N 71 126.508 126.508 121.396 5.112 17536 184 1 1 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.543 0.479 17536 185 1 1 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.681 -1.755 17536 186 1 1 . 1 1 71 71 ILE H H 71 8.963 8.963 7.921 1.042 17536 187 1 1 . 1 1 72 72 ALA N N 72 112.644 112.644 130.555 -17.911 17536 188 1 1 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.261 -2.077 17536 189 1 1 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.555 -1.993 17536 190 1 1 . 1 1 72 72 ALA H H 72 10.898 10.898 9.046 1.852 17536 191 1 1 . 1 1 73 73 ASP N N 73 120.048 120.048 119.415 0.633 17536 192 1 1 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.904 0.637 17536 193 1 1 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.163 -1.684 17536 194 1 1 . 1 1 73 73 ASP H H 73 8.703 8.703 8.686 0.017 17536 195 1 1 . 1 1 74 74 ASN N N 74 109.993 109.993 112.941 -2.948 17536 196 1 1 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.728 -1.050 17536 197 1 1 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.902 -2.220 17536 198 1 1 . 1 1 74 74 ASN H H 74 7.816 7.816 7.928 -0.112 17536 199 1 1 . 1 1 75 75 HIS N N 75 119.905 119.905 120.506 -0.601 17536 200 1 1 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.383 -2.291 17536 201 1 1 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.740 1.977 17536 202 1 1 . 1 1 75 75 HIS H H 75 7.130 7.130 7.338 -0.208 17536 203 1 1 . 1 1 76 76 THR N N 76 108.552 108.552 113.783 -5.231 17536 204 1 1 . 1 1 76 76 THR CA C 76 57.324 57.324 61.514 -4.190 17536 205 1 1 . 1 1 76 76 THR CB C 76 69.679 69.679 70.467 -0.788 17536 206 1 1 . 1 1 76 76 THR H H 76 7.230 7.230 8.591 -1.361 17536 207 1 1 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.066 0.207 17536 208 1 1 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.571 0.045 17536 209 1 1 . 1 1 78 78 LYS N N 78 115.253 115.253 117.388 -2.135 17536 210 1 1 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.922 -0.426 17536 211 1 1 . 1 1 78 78 LYS CB C 78 31.646 31.646 32.148 -0.502 17536 212 1 1 . 1 1 78 78 LYS H H 78 8.021 8.021 8.145 -0.124 17536 213 1 1 . 1 1 79 79 GLU N N 79 120.837 120.837 116.558 4.279 17536 214 1 1 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.347 1.037 17536 215 1 1 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.856 -1.609 17536 216 1 1 . 1 1 79 79 GLU H H 79 7.992 7.992 8.670 -0.678 17536 217 1 1 . 1 1 80 80 LEU N N 80 115.222 115.222 118.832 -3.610 17536 218 1 1 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.261 -1.221 17536 219 1 1 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.734 -1.339 17536 220 1 1 . 1 1 80 80 LEU H H 80 7.507 7.507 7.641 -0.134 17536 221 1 1 . 1 1 81 81 GLY N N 81 108.030 108.030 107.451 0.579 17536 222 1 1 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.959 -0.030 17536 223 1 1 . 1 1 81 81 GLY H H 81 7.656 7.656 7.863 -0.207 17536 224 1 1 . 1 1 82 82 MET N N 82 117.690 117.690 118.897 -1.207 17536 225 1 1 . 1 1 82 82 MET CA C 82 56.371 56.371 56.218 0.153 17536 226 1 1 . 1 1 82 82 MET CB C 82 33.507 33.507 32.317 1.190 17536 227 1 1 . 1 1 82 82 MET H H 82 7.646 7.646 7.745 -0.099 17536 228 1 1 . 1 1 83 83 GLU N N 83 121.031 121.031 125.045 -4.014 17536 229 1 1 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.439 -2.960 17536 230 1 1 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.891 1.865 17536 231 1 1 . 1 1 83 83 GLU H H 83 9.316 9.316 8.342 0.974 17536 232 1 1 . 1 1 84 84 GLU N N 84 119.223 119.223 118.799 0.424 17536 233 1 1 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.605 1.254 17536 234 1 1 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.116 -1.214 17536 235 1 1 . 1 1 84 84 GLU H H 84 8.303 8.303 8.390 -0.087 17536 236 1 1 . 1 1 85 85 GLU N N 85 118.921 118.921 117.621 1.300 17536 237 1 1 . 1 1 85 85 GLU CA C 85 59.035 59.035 58.072 0.963 17536 238 1 1 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.317 -3.691 17536 239 1 1 . 1 1 85 85 GLU H H 85 9.445 9.445 8.749 0.696 17536 240 1 1 . 1 1 86 86 ASP N N 86 120.152 120.152 117.699 2.453 17536 241 1 1 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.181 -0.752 17536 242 1 1 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.696 -0.399 17536 243 1 1 . 1 1 86 86 ASP H H 86 8.170 8.170 8.118 0.052 17536 244 1 1 . 1 1 87 87 VAL N N 87 117.258 117.258 118.115 -0.857 17536 245 1 1 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.310 -0.304 17536 246 1 1 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.231 -1.073 17536 247 1 1 . 1 1 87 87 VAL H H 87 8.189 8.189 8.279 -0.090 17536 248 1 1 . 1 1 88 88 ILE N N 88 127.588 127.588 123.814 3.774 17536 249 1 1 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.774 -0.566 17536 250 1 1 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.034 -2.032 17536 251 1 1 . 1 1 88 88 ILE H H 88 9.308 9.308 8.418 0.890 17536 252 1 1 . 1 1 89 89 GLU N N 89 125.759 125.759 125.322 0.437 17536 253 1 1 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.756 -0.228 17536 254 1 1 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.782 -0.463 17536 255 1 1 . 1 1 89 89 GLU H H 89 8.878 8.878 8.307 0.571 17536 256 1 1 . 1 1 90 90 VAL N N 90 119.884 119.884 123.333 -3.449 17536 257 1 1 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.483 -1.215 17536 258 1 1 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.538 -0.464 17536 259 1 1 . 1 1 90 90 VAL H H 90 7.842 7.842 7.782 0.060 17536 260 1 1 . 1 1 91 91 TYR N N 91 124.563 124.563 124.107 0.456 17536 261 1 1 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.517 -0.776 17536 262 1 1 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.789 -0.146 17536 263 1 1 . 1 1 91 91 TYR H H 91 8.575 8.575 9.011 -0.436 17536 264 1 1 . 1 1 92 92 GLN N N 92 120.648 120.648 123.020 -2.372 17536 265 1 1 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.369 -0.648 17536 266 1 1 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.134 -0.778 17536 267 1 1 . 1 1 92 92 GLN H H 92 8.745 8.745 8.599 0.146 17536 268 1 1 . 1 1 93 93 GLU N N 93 124.997 124.997 127.762 -2.765 17536 269 1 1 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.599 -1.008 17536 270 1 1 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.779 -1.323 17536 271 1 1 . 1 1 93 93 GLU H H 93 8.435 8.435 8.782 -0.347 17536 272 1 1 . 1 1 94 94 GLN N N 94 122.830 122.830 123.158 -0.328 17536 273 1 1 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.021 0.341 17536 274 1 1 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.995 -2.386 17536 275 1 1 . 1 1 94 94 GLN H H 94 8.752 8.752 8.186 0.566 17536 276 1 1 . 1 1 95 95 THR N N 95 116.050 116.050 111.776 4.274 17536 277 1 1 . 1 1 95 95 THR CA C 95 61.600 61.600 60.708 0.892 17536 278 1 1 . 1 1 95 95 THR CB C 95 69.218 69.218 70.234 -1.016 17536 279 1 1 . 1 1 95 95 THR H H 95 8.370 8.370 8.164 0.206 17536 280 1 1 . 1 1 96 96 GLY N N 96 111.777 111.777 108.746 3.031 17536 281 1 1 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.737 -0.018 17536 282 1 1 . 1 1 96 96 GLY H H 96 8.471 8.471 8.375 0.096 17536 283 1 2 . 1 1 21 21 TYR N N 21 118.396 118.396 119.571 -1.175 17536 284 1 2 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.187 -0.040 17536 285 1 2 . 1 1 21 21 TYR CB C 21 40.823 40.823 39.437 1.386 17536 286 1 2 . 1 1 21 21 TYR H H 21 8.286 8.286 7.776 0.510 17536 287 1 2 . 1 1 22 22 ILE N N 22 116.826 116.826 120.165 -3.339 17536 288 1 2 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.394 -0.195 17536 289 1 2 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.376 1.349 17536 290 1 2 . 1 1 22 22 ILE H H 22 9.062 9.062 8.453 0.609 17536 291 1 2 . 1 1 23 23 LYS N N 23 125.020 125.020 124.838 0.182 17536 292 1 2 . 1 1 23 23 LYS CA C 23 54.061 54.061 56.293 -2.232 17536 293 1 2 . 1 1 23 23 LYS CB C 23 32.594 32.594 31.672 0.922 17536 294 1 2 . 1 1 23 23 LYS H H 23 8.626 8.626 8.387 0.239 17536 295 1 2 . 1 1 24 24 LEU N N 24 125.519 125.519 127.948 -2.429 17536 296 1 2 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.671 -1.528 17536 297 1 2 . 1 1 24 24 LEU CB C 24 33.273 33.273 42.974 -9.701 17536 298 1 2 . 1 1 24 24 LEU H H 24 9.235 9.235 8.138 1.097 17536 299 1 2 . 1 1 25 25 LYS N N 25 120.608 120.608 126.328 -5.720 17536 300 1 2 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.068 -1.090 17536 301 1 2 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.435 0.623 17536 302 1 2 . 1 1 25 25 LYS H H 25 8.769 8.769 8.030 0.739 17536 303 1 2 . 1 1 26 26 VAL N N 26 124.031 124.031 125.985 -1.954 17536 304 1 2 . 1 1 26 26 VAL CA C 26 61.238 61.238 62.126 -0.888 17536 305 1 2 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.332 0.688 17536 306 1 2 . 1 1 26 26 VAL H H 26 9.330 9.330 7.970 1.360 17536 307 1 2 . 1 1 27 27 ILE N N 27 128.203 128.203 128.878 -0.675 17536 308 1 2 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.547 -0.799 17536 309 1 2 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.605 1.044 17536 310 1 2 . 1 1 27 27 ILE H H 27 8.996 8.996 7.901 1.095 17536 311 1 2 . 1 1 28 28 GLY N N 28 113.380 113.380 114.251 -0.871 17536 312 1 2 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.284 -0.758 17536 313 1 2 . 1 1 28 28 GLY H H 28 8.520 8.520 8.386 0.134 17536 314 1 2 . 1 1 29 29 GLN N N 29 120.798 120.798 118.028 2.770 17536 315 1 2 . 1 1 29 29 GLN CA C 29 57.113 57.113 56.043 1.070 17536 316 1 2 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.352 -0.629 17536 317 1 2 . 1 1 29 29 GLN H H 29 8.683 8.683 8.656 0.027 17536 318 1 2 . 1 1 30 30 ASP N N 30 118.553 118.553 118.749 -0.196 17536 319 1 2 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.686 -0.797 17536 320 1 2 . 1 1 30 30 ASP CB C 30 39.011 39.011 39.748 -0.737 17536 321 1 2 . 1 1 30 30 ASP H H 30 8.427 8.427 7.892 0.535 17536 322 1 2 . 1 1 31 31 SER N N 31 111.431 111.431 114.470 -3.039 17536 323 1 2 . 1 1 31 31 SER CA C 31 60.317 60.317 59.644 0.673 17536 324 1 2 . 1 1 31 31 SER CB C 31 61.567 61.567 63.183 -1.616 17536 325 1 2 . 1 1 31 31 SER H H 31 7.998 7.998 8.606 -0.608 17536 326 1 2 . 1 1 32 32 SER N N 32 117.290 117.290 117.622 -0.332 17536 327 1 2 . 1 1 32 32 SER CA C 32 58.422 58.422 57.959 0.463 17536 328 1 2 . 1 1 32 32 SER CB C 32 63.318 63.318 63.436 -0.118 17536 329 1 2 . 1 1 32 32 SER H H 32 7.981 7.981 7.880 0.101 17536 330 1 2 . 1 1 33 33 GLU N N 33 121.975 121.975 128.604 -6.629 17536 331 1 2 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.944 0.735 17536 332 1 2 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.227 5.647 17536 333 1 2 . 1 1 33 33 GLU H H 33 8.661 8.661 8.347 0.314 17536 334 1 2 . 1 1 34 34 ILE N N 34 124.052 124.052 124.242 -0.190 17536 335 1 2 . 1 1 34 34 ILE H H 34 8.912 8.912 8.415 0.497 17536 336 1 2 . 1 1 35 35 HIS N N 35 126.451 126.451 123.715 2.736 17536 337 1 2 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.784 2.474 17536 338 1 2 . 1 1 35 35 HIS H H 35 9.311 9.311 8.478 0.833 17536 339 1 2 . 1 1 36 36 PHE N N 36 121.806 121.806 125.406 -3.600 17536 340 1 2 . 1 1 36 36 PHE H H 36 9.521 9.521 9.062 0.459 17536 341 1 2 . 1 1 37 37 LYS N N 37 121.707 121.707 124.994 -3.287 17536 342 1 2 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.099 0.616 17536 343 1 2 . 1 1 37 37 LYS CB C 37 33.375 33.375 34.171 -0.796 17536 344 1 2 . 1 1 37 37 LYS H H 37 9.572 9.572 8.533 1.039 17536 345 1 2 . 1 1 38 38 VAL N N 38 120.042 120.042 123.589 -3.547 17536 346 1 2 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.297 -1.663 17536 347 1 2 . 1 1 38 38 VAL CB C 38 34.833 34.833 33.291 1.542 17536 348 1 2 . 1 1 38 38 VAL H H 38 9.127 9.127 8.598 0.529 17536 349 1 2 . 1 1 39 39 LYS N N 39 123.275 123.275 126.464 -3.189 17536 350 1 2 . 1 1 39 39 LYS CA C 39 56.199 56.199 56.064 0.135 17536 351 1 2 . 1 1 39 39 LYS CB C 39 31.498 31.498 32.932 -1.434 17536 352 1 2 . 1 1 39 39 LYS H H 39 8.112 8.112 8.780 -0.668 17536 353 1 2 . 1 1 40 40 MET N N 40 119.217 119.217 122.511 -3.294 17536 354 1 2 . 1 1 40 40 MET CA C 40 56.982 56.982 57.098 -0.116 17536 355 1 2 . 1 1 40 40 MET CB C 40 30.542 30.542 32.478 -1.936 17536 356 1 2 . 1 1 40 40 MET H H 40 8.436 8.436 8.294 0.142 17536 357 1 2 . 1 1 41 41 THR N N 41 126.854 126.854 110.077 16.777 17536 358 1 2 . 1 1 41 41 THR CA C 41 59.606 59.606 62.739 -3.133 17536 359 1 2 . 1 1 41 41 THR CB C 41 68.156 68.156 69.379 -1.223 17536 360 1 2 . 1 1 41 41 THR H H 41 6.958 6.958 8.012 -1.054 17536 361 1 2 . 1 1 42 42 THR N N 42 122.773 122.773 115.814 6.959 17536 362 1 2 . 1 1 42 42 THR CB C 42 69.362 69.362 71.305 -1.943 17536 363 1 2 . 1 1 42 42 THR H H 42 7.452 7.452 7.278 0.174 17536 364 1 2 . 1 1 43 43 HIS N N 43 124.643 124.643 119.555 5.088 17536 365 1 2 . 1 1 43 43 HIS CA C 43 55.718 55.718 55.290 0.428 17536 366 1 2 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.722 -1.650 17536 367 1 2 . 1 1 43 43 HIS H H 43 8.544 8.544 8.192 0.352 17536 368 1 2 . 1 1 44 44 LEU N N 44 124.399 124.399 120.010 4.389 17536 369 1 2 . 1 1 44 44 LEU CA C 44 57.612 57.612 55.654 1.958 17536 370 1 2 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.437 -1.708 17536 371 1 2 . 1 1 44 44 LEU H H 44 9.406 9.406 8.330 1.076 17536 372 1 2 . 1 1 45 45 LYS N N 45 122.482 122.482 120.265 2.217 17536 373 1 2 . 1 1 45 45 LYS H H 45 8.871 8.871 8.448 0.423 17536 374 1 2 . 1 1 46 46 LYS N N 46 114.179 114.179 118.685 -4.506 17536 375 1 2 . 1 1 46 46 LYS H H 46 8.202 8.202 7.481 0.721 17536 376 1 2 . 1 1 47 47 LEU N N 47 120.590 120.590 120.861 -0.271 17536 377 1 2 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.334 -0.558 17536 378 1 2 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.869 -0.348 17536 379 1 2 . 1 1 47 47 LEU H H 47 6.773 6.773 7.794 -1.021 17536 380 1 2 . 1 1 48 48 LYS N N 48 118.663 118.663 119.137 -0.474 17536 381 1 2 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.646 -0.388 17536 382 1 2 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.178 -1.057 17536 383 1 2 . 1 1 48 48 LYS H H 48 7.643 7.643 7.549 0.094 17536 384 1 2 . 1 1 49 49 GLU N N 49 117.638 117.638 119.515 -1.877 17536 385 1 2 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.741 -0.631 17536 386 1 2 . 1 1 49 49 GLU H H 49 8.573 8.573 8.132 0.441 17536 387 1 2 . 1 1 50 50 SER N N 50 114.362 114.362 116.106 -1.744 17536 388 1 2 . 1 1 50 50 SER H H 50 7.402 7.402 8.301 -0.899 17536 389 1 2 . 1 1 51 51 TYR N N 51 120.627 120.627 122.875 -2.248 17536 390 1 2 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.453 1.561 17536 391 1 2 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.771 -1.008 17536 392 1 2 . 1 1 51 51 TYR H H 51 8.770 8.770 8.034 0.736 17536 393 1 2 . 1 1 52 52 CYS N N 52 117.068 117.068 116.185 0.883 17536 394 1 2 . 1 1 52 52 CYS CA C 52 64.636 64.636 62.807 1.829 17536 395 1 2 . 1 1 52 52 CYS CB C 52 25.452 25.452 28.280 -2.828 17536 396 1 2 . 1 1 52 52 CYS H H 52 8.814 8.814 7.907 0.907 17536 397 1 2 . 1 1 53 53 GLN N N 53 119.373 119.373 119.447 -0.074 17536 398 1 2 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.015 0.371 17536 399 1 2 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.057 -0.705 17536 400 1 2 . 1 1 53 53 GLN H H 53 8.357 8.357 8.108 0.249 17536 401 1 2 . 1 1 54 54 ARG N N 54 120.169 120.169 118.354 1.815 17536 402 1 2 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.722 0.409 17536 403 1 2 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.292 -2.255 17536 404 1 2 . 1 1 54 54 ARG H H 54 7.932 7.932 7.820 0.112 17536 405 1 2 . 1 1 55 55 GLN N N 55 114.184 114.184 116.647 -2.463 17536 406 1 2 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.238 -0.222 17536 407 1 2 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.778 -1.087 17536 408 1 2 . 1 1 55 55 GLN H H 55 7.869 7.869 7.244 0.625 17536 409 1 2 . 1 1 56 56 GLY N N 56 109.634 109.634 108.879 0.755 17536 410 1 2 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.792 0.212 17536 411 1 2 . 1 1 56 56 GLY H H 56 7.935 7.935 7.797 0.138 17536 412 1 2 . 1 1 57 57 VAL N N 57 112.345 112.345 120.772 -8.427 17536 413 1 2 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.922 -1.707 17536 414 1 2 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.349 -3.143 17536 415 1 2 . 1 1 57 57 VAL H H 57 7.680 7.680 7.615 0.065 17536 416 1 2 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.173 -1.333 17536 417 1 2 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.582 -1.435 17536 418 1 2 . 1 1 59 59 MET N N 59 124.540 124.540 122.112 2.428 17536 419 1 2 . 1 1 59 59 MET CA C 59 57.840 57.840 58.274 -0.434 17536 420 1 2 . 1 1 59 59 MET CB C 59 31.677 31.677 32.436 -0.759 17536 421 1 2 . 1 1 59 59 MET H H 59 8.991 8.991 8.648 0.343 17536 422 1 2 . 1 1 60 60 ASN N N 60 113.019 113.019 114.449 -1.430 17536 423 1 2 . 1 1 60 60 ASN CA C 60 53.605 53.605 54.957 -1.352 17536 424 1 2 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.842 -1.330 17536 425 1 2 . 1 1 60 60 ASN H H 60 8.412 8.412 8.078 0.334 17536 426 1 2 . 1 1 61 61 SER N N 61 113.126 113.126 115.949 -2.823 17536 427 1 2 . 1 1 61 61 SER CA C 61 59.328 59.328 61.021 -1.693 17536 428 1 2 . 1 1 61 61 SER CB C 61 64.220 64.220 63.529 0.691 17536 429 1 2 . 1 1 61 61 SER H H 61 7.938 7.938 8.223 -0.285 17536 430 1 2 . 1 1 62 62 LEU N N 62 120.885 120.885 116.265 4.620 17536 431 1 2 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.825 -0.574 17536 432 1 2 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.366 1.836 17536 433 1 2 . 1 1 62 62 LEU H H 62 7.264 7.264 7.348 -0.084 17536 434 1 2 . 1 1 63 63 ARG N N 63 120.159 120.159 118.140 2.019 17536 435 1 2 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.682 -1.712 17536 436 1 2 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.978 -0.933 17536 437 1 2 . 1 1 63 63 ARG H H 63 9.050 9.050 7.855 1.195 17536 438 1 2 . 1 1 64 64 PHE N N 64 122.440 122.440 122.891 -0.451 17536 439 1 2 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.960 -0.094 17536 440 1 2 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.483 -1.718 17536 441 1 2 . 1 1 64 64 PHE H H 64 8.880 8.880 8.991 -0.111 17536 442 1 2 . 1 1 65 65 LEU N N 65 124.383 124.383 118.549 5.834 17536 443 1 2 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.718 -0.313 17536 444 1 2 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.801 -0.596 17536 445 1 2 . 1 1 65 65 LEU H H 65 9.773 9.773 9.073 0.700 17536 446 1 2 . 1 1 66 66 PHE N N 66 119.605 119.605 120.044 -0.439 17536 447 1 2 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.709 -0.930 17536 448 1 2 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.055 -2.198 17536 449 1 2 . 1 1 66 66 PHE H H 66 9.020 9.020 8.995 0.025 17536 450 1 2 . 1 1 67 67 GLU N N 67 129.259 129.259 123.025 6.234 17536 451 1 2 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.915 -0.593 17536 452 1 2 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.030 -2.130 17536 453 1 2 . 1 1 67 67 GLU H H 67 9.372 9.372 8.815 0.557 17536 454 1 2 . 1 1 68 68 GLY N N 68 106.230 106.230 104.170 2.060 17536 455 1 2 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.183 -0.368 17536 456 1 2 . 1 1 68 68 GLY H H 68 8.852 8.852 8.583 0.269 17536 457 1 2 . 1 1 69 69 GLN N N 69 120.665 120.665 121.271 -0.606 17536 458 1 2 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.151 -1.643 17536 459 1 2 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.651 0.124 17536 460 1 2 . 1 1 69 69 GLN H H 69 8.012 8.012 7.780 0.232 17536 461 1 2 . 1 1 70 70 ARG N N 70 124.728 124.728 122.227 2.501 17536 462 1 2 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.659 -0.823 17536 463 1 2 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.965 -1.588 17536 464 1 2 . 1 1 70 70 ARG H H 70 8.798 8.798 8.545 0.253 17536 465 1 2 . 1 1 71 71 ILE N N 71 126.508 126.508 121.390 5.118 17536 466 1 2 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.525 0.497 17536 467 1 2 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.658 -1.732 17536 468 1 2 . 1 1 71 71 ILE H H 71 8.963 8.963 7.908 1.055 17536 469 1 2 . 1 1 72 72 ALA N N 72 112.644 112.644 130.527 -17.883 17536 470 1 2 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.226 -2.042 17536 471 1 2 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.504 -1.942 17536 472 1 2 . 1 1 72 72 ALA H H 72 10.898 10.898 9.017 1.881 17536 473 1 2 . 1 1 73 73 ASP N N 73 120.048 120.048 119.344 0.704 17536 474 1 2 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.859 0.682 17536 475 1 2 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.151 -1.672 17536 476 1 2 . 1 1 73 73 ASP H H 73 8.703 8.703 8.661 0.042 17536 477 1 2 . 1 1 74 74 ASN N N 74 109.993 109.993 112.879 -2.886 17536 478 1 2 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.537 -0.859 17536 479 1 2 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.798 -2.116 17536 480 1 2 . 1 1 74 74 ASN H H 74 7.816 7.816 7.834 -0.018 17536 481 1 2 . 1 1 75 75 HIS N N 75 119.905 119.905 120.269 -0.364 17536 482 1 2 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.361 -2.269 17536 483 1 2 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.666 2.051 17536 484 1 2 . 1 1 75 75 HIS H H 75 7.130 7.130 7.225 -0.095 17536 485 1 2 . 1 1 76 76 THR N N 76 108.552 108.552 114.082 -5.530 17536 486 1 2 . 1 1 76 76 THR CA C 76 57.324 57.324 61.703 -4.379 17536 487 1 2 . 1 1 76 76 THR CB C 76 69.679 69.679 70.775 -1.096 17536 488 1 2 . 1 1 76 76 THR H H 76 7.230 7.230 8.569 -1.339 17536 489 1 2 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.228 0.044 17536 490 1 2 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.694 -0.078 17536 491 1 2 . 1 1 78 78 LYS N N 78 115.253 115.253 116.526 -1.273 17536 492 1 2 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.949 -0.453 17536 493 1 2 . 1 1 78 78 LYS CB C 78 31.646 31.646 31.904 -0.258 17536 494 1 2 . 1 1 78 78 LYS H H 78 8.021 8.021 8.345 -0.324 17536 495 1 2 . 1 1 79 79 GLU N N 79 120.837 120.837 116.578 4.259 17536 496 1 2 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.345 1.039 17536 497 1 2 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.837 -1.590 17536 498 1 2 . 1 1 79 79 GLU H H 79 7.992 7.992 8.676 -0.684 17536 499 1 2 . 1 1 80 80 LEU N N 80 115.222 115.222 118.826 -3.604 17536 500 1 2 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.251 -1.211 17536 501 1 2 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.725 -1.331 17536 502 1 2 . 1 1 80 80 LEU H H 80 7.507 7.507 7.636 -0.129 17536 503 1 2 . 1 1 81 81 GLY N N 81 108.030 108.030 107.461 0.569 17536 504 1 2 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.963 -0.034 17536 505 1 2 . 1 1 81 81 GLY H H 81 7.656 7.656 7.865 -0.209 17536 506 1 2 . 1 1 82 82 MET N N 82 117.690 117.690 118.897 -1.207 17536 507 1 2 . 1 1 82 82 MET CA C 82 56.371 56.371 56.210 0.161 17536 508 1 2 . 1 1 82 82 MET CB C 82 33.507 33.507 32.311 1.196 17536 509 1 2 . 1 1 82 82 MET H H 82 7.646 7.646 7.744 -0.098 17536 510 1 2 . 1 1 83 83 GLU N N 83 121.031 121.031 125.057 -4.026 17536 511 1 2 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.659 -3.180 17536 512 1 2 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.786 1.970 17536 513 1 2 . 1 1 83 83 GLU H H 83 9.316 9.316 8.306 1.010 17536 514 1 2 . 1 1 84 84 GLU N N 84 119.223 119.223 118.620 0.603 17536 515 1 2 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.292 1.567 17536 516 1 2 . 1 1 84 84 GLU CB C 84 28.902 28.902 29.977 -1.075 17536 517 1 2 . 1 1 84 84 GLU H H 84 8.303 8.303 8.430 -0.127 17536 518 1 2 . 1 1 85 85 GLU N N 85 118.921 118.921 117.962 0.959 17536 519 1 2 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.981 1.054 17536 520 1 2 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.169 -3.542 17536 521 1 2 . 1 1 85 85 GLU H H 85 9.445 9.445 8.463 0.982 17536 522 1 2 . 1 1 86 86 ASP N N 86 120.152 120.152 117.163 2.989 17536 523 1 2 . 1 1 86 86 ASP CA C 86 55.429 55.429 55.872 -0.443 17536 524 1 2 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.857 -0.560 17536 525 1 2 . 1 1 86 86 ASP H H 86 8.170 8.170 8.039 0.131 17536 526 1 2 . 1 1 87 87 VAL N N 87 117.258 117.258 117.872 -0.614 17536 527 1 2 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.016 -0.010 17536 528 1 2 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.469 -1.310 17536 529 1 2 . 1 1 87 87 VAL H H 87 8.189 8.189 8.321 -0.132 17536 530 1 2 . 1 1 88 88 ILE N N 88 127.588 127.588 123.776 3.812 17536 531 1 2 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.772 -0.564 17536 532 1 2 . 1 1 88 88 ILE CB C 88 40.002 40.002 41.987 -1.985 17536 533 1 2 . 1 1 88 88 ILE H H 88 9.308 9.308 8.185 1.123 17536 534 1 2 . 1 1 89 89 GLU N N 89 125.759 125.759 125.572 0.187 17536 535 1 2 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.497 0.031 17536 536 1 2 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.844 -0.525 17536 537 1 2 . 1 1 89 89 GLU H H 89 8.878 8.878 8.342 0.536 17536 538 1 2 . 1 1 90 90 VAL N N 90 119.884 119.884 123.137 -3.253 17536 539 1 2 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.408 -1.140 17536 540 1 2 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.648 -0.573 17536 541 1 2 . 1 1 90 90 VAL H H 90 7.842 7.842 7.773 0.069 17536 542 1 2 . 1 1 91 91 TYR N N 91 124.563 124.563 125.038 -0.475 17536 543 1 2 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.557 -0.816 17536 544 1 2 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.598 0.045 17536 545 1 2 . 1 1 91 91 TYR H H 91 8.575 8.575 9.019 -0.444 17536 546 1 2 . 1 1 92 92 GLN N N 92 120.648 120.648 123.026 -2.378 17536 547 1 2 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.368 -0.647 17536 548 1 2 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.133 -0.777 17536 549 1 2 . 1 1 92 92 GLN H H 92 8.745 8.745 8.600 0.145 17536 550 1 2 . 1 1 93 93 GLU N N 93 124.997 124.997 127.767 -2.770 17536 551 1 2 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.598 -1.007 17536 552 1 2 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.778 -1.322 17536 553 1 2 . 1 1 93 93 GLU H H 93 8.435 8.435 8.782 -0.347 17536 554 1 2 . 1 1 94 94 GLN N N 94 122.830 122.830 123.162 -0.332 17536 555 1 2 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.021 0.341 17536 556 1 2 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.995 -2.386 17536 557 1 2 . 1 1 94 94 GLN H H 94 8.752 8.752 8.186 0.566 17536 558 1 2 . 1 1 95 95 THR N N 95 116.050 116.050 111.771 4.279 17536 559 1 2 . 1 1 95 95 THR CA C 95 61.600 61.600 60.709 0.891 17536 560 1 2 . 1 1 95 95 THR CB C 95 69.218 69.218 70.233 -1.015 17536 561 1 2 . 1 1 95 95 THR H H 95 8.370 8.370 8.163 0.207 17536 562 1 2 . 1 1 96 96 GLY N N 96 111.777 111.777 108.748 3.029 17536 563 1 2 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.738 -0.019 17536 564 1 2 . 1 1 96 96 GLY H H 96 8.471 8.471 8.374 0.097 17536 565 1 3 . 1 1 21 21 TYR N N 21 118.396 118.396 119.675 -1.279 17536 566 1 3 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.358 -0.211 17536 567 1 3 . 1 1 21 21 TYR CB C 21 40.823 40.823 40.482 0.341 17536 568 1 3 . 1 1 21 21 TYR H H 21 8.286 8.286 8.016 0.270 17536 569 1 3 . 1 1 22 22 ILE N N 22 116.826 116.826 119.008 -2.182 17536 570 1 3 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.439 -0.240 17536 571 1 3 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.900 0.825 17536 572 1 3 . 1 1 22 22 ILE H H 22 9.062 9.062 8.766 0.296 17536 573 1 3 . 1 1 23 23 LYS N N 23 125.020 125.020 125.817 -0.797 17536 574 1 3 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.733 -1.672 17536 575 1 3 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.597 -0.003 17536 576 1 3 . 1 1 23 23 LYS H H 23 8.626 8.626 8.475 0.151 17536 577 1 3 . 1 1 24 24 LEU N N 24 125.519 125.519 128.923 -3.404 17536 578 1 3 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.755 -1.612 17536 579 1 3 . 1 1 24 24 LEU CB C 24 33.273 33.273 43.570 -10.297 17536 580 1 3 . 1 1 24 24 LEU H H 24 9.235 9.235 8.755 0.480 17536 581 1 3 . 1 1 25 25 LYS N N 25 120.608 120.608 125.530 -4.922 17536 582 1 3 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.353 -1.375 17536 583 1 3 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.715 0.343 17536 584 1 3 . 1 1 25 25 LYS H H 25 8.769 8.769 8.165 0.604 17536 585 1 3 . 1 1 26 26 VAL N N 26 124.031 124.031 127.081 -3.050 17536 586 1 3 . 1 1 26 26 VAL CA C 26 61.238 61.238 61.904 -0.666 17536 587 1 3 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.852 0.168 17536 588 1 3 . 1 1 26 26 VAL H H 26 9.330 9.330 8.473 0.857 17536 589 1 3 . 1 1 27 27 ILE N N 27 128.203 128.203 128.641 -0.438 17536 590 1 3 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.452 -0.704 17536 591 1 3 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.805 0.844 17536 592 1 3 . 1 1 27 27 ILE H H 27 8.996 8.996 7.739 1.257 17536 593 1 3 . 1 1 28 28 GLY N N 28 113.380 113.380 114.245 -0.865 17536 594 1 3 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.187 -0.661 17536 595 1 3 . 1 1 28 28 GLY H H 28 8.520 8.520 8.304 0.216 17536 596 1 3 . 1 1 29 29 GLN N N 29 120.798 120.798 118.410 2.388 17536 597 1 3 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.643 1.470 17536 598 1 3 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.049 -0.326 17536 599 1 3 . 1 1 29 29 GLN H H 29 8.683 8.683 8.564 0.119 17536 600 1 3 . 1 1 30 30 ASP N N 30 118.553 118.553 118.395 0.158 17536 601 1 3 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.817 -0.928 17536 602 1 3 . 1 1 30 30 ASP CB C 30 39.011 39.011 40.040 -1.029 17536 603 1 3 . 1 1 30 30 ASP H H 30 8.427 8.427 7.793 0.634 17536 604 1 3 . 1 1 31 31 SER N N 31 111.431 111.431 114.488 -3.057 17536 605 1 3 . 1 1 31 31 SER CA C 31 60.317 60.317 59.630 0.687 17536 606 1 3 . 1 1 31 31 SER CB C 31 61.567 61.567 63.183 -1.616 17536 607 1 3 . 1 1 31 31 SER H H 31 7.998 7.998 8.596 -0.598 17536 608 1 3 . 1 1 32 32 SER N N 32 117.290 117.290 117.597 -0.307 17536 609 1 3 . 1 1 32 32 SER CA C 32 58.422 58.422 57.957 0.465 17536 610 1 3 . 1 1 32 32 SER CB C 32 63.318 63.318 63.474 -0.156 17536 611 1 3 . 1 1 32 32 SER H H 32 7.981 7.981 7.869 0.112 17536 612 1 3 . 1 1 33 33 GLU N N 33 121.975 121.975 128.986 -7.011 17536 613 1 3 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.938 0.741 17536 614 1 3 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.265 5.609 17536 615 1 3 . 1 1 33 33 GLU H H 33 8.661 8.661 8.255 0.406 17536 616 1 3 . 1 1 34 34 ILE N N 34 124.052 124.052 124.020 0.032 17536 617 1 3 . 1 1 34 34 ILE H H 34 8.912 8.912 8.484 0.428 17536 618 1 3 . 1 1 35 35 HIS N N 35 126.451 126.451 124.780 1.671 17536 619 1 3 . 1 1 35 35 HIS CB C 35 33.257 33.257 31.396 1.861 17536 620 1 3 . 1 1 35 35 HIS H H 35 9.311 9.311 8.571 0.740 17536 621 1 3 . 1 1 36 36 PHE N N 36 121.806 121.806 123.988 -2.182 17536 622 1 3 . 1 1 36 36 PHE H H 36 9.521 9.521 8.677 0.844 17536 623 1 3 . 1 1 37 37 LYS N N 37 121.707 121.707 127.685 -5.978 17536 624 1 3 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.894 -0.179 17536 625 1 3 . 1 1 37 37 LYS CB C 37 33.375 33.375 33.172 0.203 17536 626 1 3 . 1 1 37 37 LYS H H 37 9.572 9.572 8.531 1.041 17536 627 1 3 . 1 1 38 38 VAL N N 38 120.042 120.042 126.064 -6.022 17536 628 1 3 . 1 1 38 38 VAL CA C 38 58.634 58.634 61.229 -2.595 17536 629 1 3 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.373 0.460 17536 630 1 3 . 1 1 38 38 VAL H H 38 9.127 9.127 8.375 0.752 17536 631 1 3 . 1 1 39 39 LYS N N 39 123.275 123.275 125.839 -2.564 17536 632 1 3 . 1 1 39 39 LYS CA C 39 56.199 56.199 55.871 0.328 17536 633 1 3 . 1 1 39 39 LYS CB C 39 31.498 31.498 33.127 -1.629 17536 634 1 3 . 1 1 39 39 LYS H H 39 8.112 8.112 8.483 -0.371 17536 635 1 3 . 1 1 40 40 MET N N 40 119.217 119.217 121.551 -2.334 17536 636 1 3 . 1 1 40 40 MET CA C 40 56.982 56.982 57.835 -0.853 17536 637 1 3 . 1 1 40 40 MET CB C 40 30.542 30.542 32.631 -2.089 17536 638 1 3 . 1 1 40 40 MET H H 40 8.436 8.436 8.190 0.246 17536 639 1 3 . 1 1 41 41 THR N N 41 126.854 126.854 109.629 17.225 17536 640 1 3 . 1 1 41 41 THR CA C 41 59.606 59.606 62.914 -3.308 17536 641 1 3 . 1 1 41 41 THR CB C 41 68.156 68.156 69.199 -1.043 17536 642 1 3 . 1 1 41 41 THR H H 41 6.958 6.958 8.009 -1.051 17536 643 1 3 . 1 1 42 42 THR N N 42 122.773 122.773 116.428 6.345 17536 644 1 3 . 1 1 42 42 THR CB C 42 69.362 69.362 70.521 -1.159 17536 645 1 3 . 1 1 42 42 THR H H 42 7.452 7.452 7.184 0.268 17536 646 1 3 . 1 1 43 43 HIS N N 43 124.643 124.643 119.197 5.446 17536 647 1 3 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.322 -0.604 17536 648 1 3 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.888 -1.816 17536 649 1 3 . 1 1 43 43 HIS H H 43 8.544 8.544 8.186 0.358 17536 650 1 3 . 1 1 44 44 LEU N N 44 124.399 124.399 120.685 3.714 17536 651 1 3 . 1 1 44 44 LEU CA C 44 57.612 57.612 56.518 1.094 17536 652 1 3 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.399 -1.671 17536 653 1 3 . 1 1 44 44 LEU H H 44 9.406 9.406 8.366 1.040 17536 654 1 3 . 1 1 45 45 LYS N N 45 122.482 122.482 119.314 3.168 17536 655 1 3 . 1 1 45 45 LYS H H 45 8.871 8.871 8.428 0.443 17536 656 1 3 . 1 1 46 46 LYS N N 46 114.179 114.179 119.134 -4.955 17536 657 1 3 . 1 1 46 46 LYS H H 46 8.202 8.202 7.536 0.666 17536 658 1 3 . 1 1 47 47 LEU N N 47 120.590 120.590 120.209 0.381 17536 659 1 3 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.028 -0.251 17536 660 1 3 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.522 -0.001 17536 661 1 3 . 1 1 47 47 LEU H H 47 6.773 6.773 7.555 -0.782 17536 662 1 3 . 1 1 48 48 LYS N N 48 118.663 118.663 119.364 -0.701 17536 663 1 3 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.657 -0.399 17536 664 1 3 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.097 -0.976 17536 665 1 3 . 1 1 48 48 LYS H H 48 7.643 7.643 7.411 0.232 17536 666 1 3 . 1 1 49 49 GLU N N 49 117.638 117.638 119.154 -1.516 17536 667 1 3 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.733 -0.623 17536 668 1 3 . 1 1 49 49 GLU H H 49 8.573 8.573 8.298 0.275 17536 669 1 3 . 1 1 50 50 SER N N 50 114.362 114.362 116.309 -1.947 17536 670 1 3 . 1 1 50 50 SER H H 50 7.402 7.402 8.117 -0.715 17536 671 1 3 . 1 1 51 51 TYR N N 51 120.627 120.627 123.078 -2.451 17536 672 1 3 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.201 1.813 17536 673 1 3 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.826 -1.063 17536 674 1 3 . 1 1 51 51 TYR H H 51 8.770 8.770 8.133 0.637 17536 675 1 3 . 1 1 52 52 CYS N N 52 117.068 117.068 117.178 -0.110 17536 676 1 3 . 1 1 52 52 CYS CA C 52 64.636 64.636 63.642 0.994 17536 677 1 3 . 1 1 52 52 CYS CB C 52 25.452 25.452 27.518 -2.066 17536 678 1 3 . 1 1 52 52 CYS H H 52 8.814 8.814 8.060 0.754 17536 679 1 3 . 1 1 53 53 GLN N N 53 119.373 119.373 119.344 0.029 17536 680 1 3 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.036 0.350 17536 681 1 3 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.026 -0.674 17536 682 1 3 . 1 1 53 53 GLN H H 53 8.357 8.357 7.933 0.424 17536 683 1 3 . 1 1 54 54 ARG N N 54 120.169 120.169 118.126 2.043 17536 684 1 3 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.859 0.272 17536 685 1 3 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.476 -2.439 17536 686 1 3 . 1 1 54 54 ARG H H 54 7.932 7.932 7.743 0.189 17536 687 1 3 . 1 1 55 55 GLN N N 55 114.184 114.184 116.793 -2.609 17536 688 1 3 . 1 1 55 55 GLN CA C 55 55.016 55.016 54.986 0.030 17536 689 1 3 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.735 -1.044 17536 690 1 3 . 1 1 55 55 GLN H H 55 7.869 7.869 7.491 0.378 17536 691 1 3 . 1 1 56 56 GLY N N 56 109.634 109.634 108.873 0.761 17536 692 1 3 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.698 0.306 17536 693 1 3 . 1 1 56 56 GLY H H 56 7.935 7.935 7.785 0.150 17536 694 1 3 . 1 1 57 57 VAL N N 57 112.345 112.345 120.716 -8.371 17536 695 1 3 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.902 -1.687 17536 696 1 3 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.318 -3.113 17536 697 1 3 . 1 1 57 57 VAL H H 57 7.680 7.680 7.593 0.087 17536 698 1 3 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.169 -1.329 17536 699 1 3 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.568 -1.421 17536 700 1 3 . 1 1 59 59 MET N N 59 124.540 124.540 122.250 2.290 17536 701 1 3 . 1 1 59 59 MET CA C 59 57.840 57.840 58.582 -0.742 17536 702 1 3 . 1 1 59 59 MET CB C 59 31.677 31.677 32.428 -0.751 17536 703 1 3 . 1 1 59 59 MET H H 59 8.991 8.991 8.645 0.346 17536 704 1 3 . 1 1 60 60 ASN N N 60 113.019 113.019 114.453 -1.434 17536 705 1 3 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.293 -1.688 17536 706 1 3 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.763 -1.251 17536 707 1 3 . 1 1 60 60 ASN H H 60 8.412 8.412 8.127 0.285 17536 708 1 3 . 1 1 61 61 SER N N 61 113.126 113.126 115.936 -2.810 17536 709 1 3 . 1 1 61 61 SER CA C 61 59.328 59.328 61.028 -1.700 17536 710 1 3 . 1 1 61 61 SER CB C 61 64.220 64.220 63.506 0.714 17536 711 1 3 . 1 1 61 61 SER H H 61 7.938 7.938 8.219 -0.281 17536 712 1 3 . 1 1 62 62 LEU N N 62 120.885 120.885 116.262 4.623 17536 713 1 3 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.824 -0.573 17536 714 1 3 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.380 1.822 17536 715 1 3 . 1 1 62 62 LEU H H 62 7.264 7.264 7.345 -0.081 17536 716 1 3 . 1 1 63 63 ARG N N 63 120.159 120.159 118.154 2.005 17536 717 1 3 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.689 -1.719 17536 718 1 3 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.993 -0.948 17536 719 1 3 . 1 1 63 63 ARG H H 63 9.050 9.050 7.868 1.182 17536 720 1 3 . 1 1 64 64 PHE N N 64 122.440 122.440 122.900 -0.460 17536 721 1 3 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.985 -0.119 17536 722 1 3 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.520 -1.755 17536 723 1 3 . 1 1 64 64 PHE H H 64 8.880 8.880 9.006 -0.126 17536 724 1 3 . 1 1 65 65 LEU N N 65 124.383 124.383 118.575 5.808 17536 725 1 3 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.736 -0.331 17536 726 1 3 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.813 -0.608 17536 727 1 3 . 1 1 65 65 LEU H H 65 9.773 9.773 9.099 0.674 17536 728 1 3 . 1 1 66 66 PHE N N 66 119.605 119.605 120.061 -0.456 17536 729 1 3 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.723 -0.944 17536 730 1 3 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.070 -2.213 17536 731 1 3 . 1 1 66 66 PHE H H 66 9.020 9.020 9.008 0.012 17536 732 1 3 . 1 1 67 67 GLU N N 67 129.259 129.259 123.031 6.228 17536 733 1 3 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.925 -0.603 17536 734 1 3 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.041 -2.141 17536 735 1 3 . 1 1 67 67 GLU H H 67 9.372 9.372 8.825 0.547 17536 736 1 3 . 1 1 68 68 GLY N N 68 106.230 106.230 104.181 2.049 17536 737 1 3 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.187 -0.372 17536 738 1 3 . 1 1 68 68 GLY H H 68 8.852 8.852 8.592 0.260 17536 739 1 3 . 1 1 69 69 GLN N N 69 120.665 120.665 121.293 -0.628 17536 740 1 3 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.167 -1.660 17536 741 1 3 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.655 0.120 17536 742 1 3 . 1 1 69 69 GLN H H 69 8.012 8.012 7.790 0.222 17536 743 1 3 . 1 1 70 70 ARG N N 70 124.728 124.728 122.243 2.485 17536 744 1 3 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.666 -0.830 17536 745 1 3 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.976 -1.599 17536 746 1 3 . 1 1 70 70 ARG H H 70 8.798 8.798 8.554 0.244 17536 747 1 3 . 1 1 71 71 ILE N N 71 126.508 126.508 121.406 5.102 17536 748 1 3 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.538 0.484 17536 749 1 3 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.673 -1.747 17536 750 1 3 . 1 1 71 71 ILE H H 71 8.963 8.963 7.920 1.043 17536 751 1 3 . 1 1 72 72 ALA N N 72 112.644 112.644 130.545 -17.901 17536 752 1 3 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.252 -2.068 17536 753 1 3 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.542 -1.980 17536 754 1 3 . 1 1 72 72 ALA H H 72 10.898 10.898 9.038 1.860 17536 755 1 3 . 1 1 73 73 ASP N N 73 120.048 120.048 119.333 0.715 17536 756 1 3 . 1 1 73 73 ASP CA C 73 56.541 56.541 56.024 0.517 17536 757 1 3 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.157 -1.678 17536 758 1 3 . 1 1 73 73 ASP H H 73 8.703 8.703 8.694 0.009 17536 759 1 3 . 1 1 74 74 ASN N N 74 109.993 109.993 113.369 -3.376 17536 760 1 3 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.613 -0.935 17536 761 1 3 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.846 -2.164 17536 762 1 3 . 1 1 74 74 ASN H H 74 7.816 7.816 7.923 -0.107 17536 763 1 3 . 1 1 75 75 HIS N N 75 119.905 119.905 120.464 -0.559 17536 764 1 3 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.340 -2.248 17536 765 1 3 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.724 1.992 17536 766 1 3 . 1 1 75 75 HIS H H 75 7.130 7.130 7.339 -0.209 17536 767 1 3 . 1 1 76 76 THR N N 76 108.552 108.552 114.046 -5.494 17536 768 1 3 . 1 1 76 76 THR CA C 76 57.324 57.324 61.568 -4.244 17536 769 1 3 . 1 1 76 76 THR CB C 76 69.679 69.679 70.539 -0.860 17536 770 1 3 . 1 1 76 76 THR H H 76 7.230 7.230 8.604 -1.374 17536 771 1 3 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.216 0.057 17536 772 1 3 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.675 -0.059 17536 773 1 3 . 1 1 78 78 LYS N N 78 115.253 115.253 116.691 -1.438 17536 774 1 3 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.859 -0.363 17536 775 1 3 . 1 1 78 78 LYS CB C 78 31.646 31.646 31.839 -0.193 17536 776 1 3 . 1 1 78 78 LYS H H 78 8.021 8.021 8.292 -0.271 17536 777 1 3 . 1 1 79 79 GLU N N 79 120.837 120.837 116.565 4.272 17536 778 1 3 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.346 1.038 17536 779 1 3 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.853 -1.606 17536 780 1 3 . 1 1 79 79 GLU H H 79 7.992 7.992 8.674 -0.682 17536 781 1 3 . 1 1 80 80 LEU N N 80 115.222 115.222 118.828 -3.606 17536 782 1 3 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.260 -1.220 17536 783 1 3 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.735 -1.340 17536 784 1 3 . 1 1 80 80 LEU H H 80 7.507 7.507 7.639 -0.132 17536 785 1 3 . 1 1 81 81 GLY N N 81 108.030 108.030 107.454 0.576 17536 786 1 3 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.960 -0.031 17536 787 1 3 . 1 1 81 81 GLY H H 81 7.656 7.656 7.861 -0.205 17536 788 1 3 . 1 1 82 82 MET N N 82 117.690 117.690 118.894 -1.204 17536 789 1 3 . 1 1 82 82 MET CA C 82 56.371 56.371 56.214 0.157 17536 790 1 3 . 1 1 82 82 MET CB C 82 33.507 33.507 32.315 1.192 17536 791 1 3 . 1 1 82 82 MET H H 82 7.646 7.646 7.743 -0.097 17536 792 1 3 . 1 1 83 83 GLU N N 83 121.031 121.031 125.078 -4.047 17536 793 1 3 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.353 -2.874 17536 794 1 3 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.899 1.857 17536 795 1 3 . 1 1 83 83 GLU H H 83 9.316 9.316 8.350 0.967 17536 796 1 3 . 1 1 84 84 GLU N N 84 119.223 119.223 119.136 0.087 17536 797 1 3 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.472 1.387 17536 798 1 3 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.073 -1.171 17536 799 1 3 . 1 1 84 84 GLU H H 84 8.303 8.303 8.334 -0.031 17536 800 1 3 . 1 1 85 85 GLU N N 85 118.921 118.921 116.885 2.036 17536 801 1 3 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.915 1.120 17536 802 1 3 . 1 1 85 85 GLU CB C 85 25.627 25.627 28.961 -3.334 17536 803 1 3 . 1 1 85 85 GLU H H 85 9.445 9.445 8.791 0.654 17536 804 1 3 . 1 1 86 86 ASP N N 86 120.152 120.152 117.635 2.517 17536 805 1 3 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.206 -0.777 17536 806 1 3 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.681 -0.384 17536 807 1 3 . 1 1 86 86 ASP H H 86 8.170 8.170 8.100 0.070 17536 808 1 3 . 1 1 87 87 VAL N N 87 117.258 117.258 118.267 -1.009 17536 809 1 3 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.372 -0.366 17536 810 1 3 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.204 -1.045 17536 811 1 3 . 1 1 87 87 VAL H H 87 8.189 8.189 8.267 -0.078 17536 812 1 3 . 1 1 88 88 ILE N N 88 127.588 127.588 123.811 3.777 17536 813 1 3 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.792 -0.584 17536 814 1 3 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.119 -2.117 17536 815 1 3 . 1 1 88 88 ILE H H 88 9.308 9.308 8.647 0.661 17536 816 1 3 . 1 1 89 89 GLU N N 89 125.759 125.759 125.488 0.271 17536 817 1 3 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.795 -0.267 17536 818 1 3 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.781 -0.462 17536 819 1 3 . 1 1 89 89 GLU H H 89 8.878 8.878 8.344 0.534 17536 820 1 3 . 1 1 90 90 VAL N N 90 119.884 119.884 123.388 -3.504 17536 821 1 3 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.493 -1.225 17536 822 1 3 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.583 -0.508 17536 823 1 3 . 1 1 90 90 VAL H H 90 7.842 7.842 7.699 0.143 17536 824 1 3 . 1 1 91 91 TYR N N 91 124.563 124.563 124.120 0.443 17536 825 1 3 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.524 -0.783 17536 826 1 3 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.794 -0.151 17536 827 1 3 . 1 1 91 91 TYR H H 91 8.575 8.575 9.019 -0.444 17536 828 1 3 . 1 1 92 92 GLN N N 92 120.648 120.648 123.021 -2.373 17536 829 1 3 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.372 -0.651 17536 830 1 3 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.137 -0.781 17536 831 1 3 . 1 1 92 92 GLN H H 92 8.745 8.745 8.605 0.140 17536 832 1 3 . 1 1 93 93 GLU N N 93 124.997 124.997 127.774 -2.777 17536 833 1 3 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.600 -1.009 17536 834 1 3 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.780 -1.324 17536 835 1 3 . 1 1 93 93 GLU H H 93 8.435 8.435 8.786 -0.351 17536 836 1 3 . 1 1 94 94 GLN N N 94 122.830 122.830 123.164 -0.334 17536 837 1 3 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.023 0.339 17536 838 1 3 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.995 -2.386 17536 839 1 3 . 1 1 94 94 GLN H H 94 8.752 8.752 8.188 0.564 17536 840 1 3 . 1 1 95 95 THR N N 95 116.050 116.050 111.774 4.276 17536 841 1 3 . 1 1 95 95 THR CA C 95 61.600 61.600 60.709 0.891 17536 842 1 3 . 1 1 95 95 THR CB C 95 69.218 69.218 70.234 -1.016 17536 843 1 3 . 1 1 95 95 THR H H 95 8.370 8.370 8.164 0.206 17536 844 1 3 . 1 1 96 96 GLY N N 96 111.777 111.777 108.748 3.029 17536 845 1 3 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.738 -0.019 17536 846 1 3 . 1 1 96 96 GLY H H 96 8.471 8.471 8.375 0.096 17536 847 1 4 . 1 1 21 21 TYR N N 21 118.396 118.396 120.317 -1.921 17536 848 1 4 . 1 1 21 21 TYR CA C 21 57.147 57.147 58.004 -0.857 17536 849 1 4 . 1 1 21 21 TYR CB C 21 40.823 40.823 39.443 1.380 17536 850 1 4 . 1 1 21 21 TYR H H 21 8.286 8.286 8.086 0.200 17536 851 1 4 . 1 1 22 22 ILE N N 22 116.826 116.826 119.247 -2.421 17536 852 1 4 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.714 -0.514 17536 853 1 4 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.780 0.945 17536 854 1 4 . 1 1 22 22 ILE H H 22 9.062 9.062 8.489 0.573 17536 855 1 4 . 1 1 23 23 LYS N N 23 125.020 125.020 125.933 -0.913 17536 856 1 4 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.828 -1.767 17536 857 1 4 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.622 -0.028 17536 858 1 4 . 1 1 23 23 LYS H H 23 8.626 8.626 8.529 0.097 17536 859 1 4 . 1 1 24 24 LEU N N 24 125.519 125.519 129.081 -3.562 17536 860 1 4 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.776 -1.633 17536 861 1 4 . 1 1 24 24 LEU CB C 24 33.273 33.273 43.589 -10.316 17536 862 1 4 . 1 1 24 24 LEU H H 24 9.235 9.235 9.063 0.172 17536 863 1 4 . 1 1 25 25 LYS N N 25 120.608 120.608 126.016 -5.408 17536 864 1 4 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.465 -1.487 17536 865 1 4 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.651 0.407 17536 866 1 4 . 1 1 25 25 LYS H H 25 8.769 8.769 8.235 0.534 17536 867 1 4 . 1 1 26 26 VAL N N 26 124.031 124.031 127.128 -3.097 17536 868 1 4 . 1 1 26 26 VAL CA C 26 61.238 61.238 60.699 0.539 17536 869 1 4 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.879 0.141 17536 870 1 4 . 1 1 26 26 VAL H H 26 9.330 9.330 7.972 1.358 17536 871 1 4 . 1 1 27 27 ILE N N 27 128.203 128.203 128.356 -0.153 17536 872 1 4 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.383 -0.635 17536 873 1 4 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.891 0.758 17536 874 1 4 . 1 1 27 27 ILE H H 27 8.996 8.996 8.003 0.993 17536 875 1 4 . 1 1 28 28 GLY N N 28 113.380 113.380 114.183 -0.803 17536 876 1 4 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.242 -0.716 17536 877 1 4 . 1 1 28 28 GLY H H 28 8.520 8.520 8.321 0.199 17536 878 1 4 . 1 1 29 29 GLN N N 29 120.798 120.798 118.492 2.306 17536 879 1 4 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.641 1.472 17536 880 1 4 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.084 -0.361 17536 881 1 4 . 1 1 29 29 GLN H H 29 8.683 8.683 8.604 0.079 17536 882 1 4 . 1 1 30 30 ASP N N 30 118.553 118.553 118.412 0.141 17536 883 1 4 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.830 -0.941 17536 884 1 4 . 1 1 30 30 ASP CB C 30 39.011 39.011 40.055 -1.044 17536 885 1 4 . 1 1 30 30 ASP H H 30 8.427 8.427 7.810 0.617 17536 886 1 4 . 1 1 31 31 SER N N 31 111.431 111.431 114.501 -3.070 17536 887 1 4 . 1 1 31 31 SER CA C 31 60.317 60.317 59.633 0.684 17536 888 1 4 . 1 1 31 31 SER CB C 31 61.567 61.567 63.182 -1.615 17536 889 1 4 . 1 1 31 31 SER H H 31 7.998 7.998 8.609 -0.611 17536 890 1 4 . 1 1 32 32 SER N N 32 117.290 117.290 117.647 -0.357 17536 891 1 4 . 1 1 32 32 SER CA C 32 58.422 58.422 57.952 0.470 17536 892 1 4 . 1 1 32 32 SER CB C 32 63.318 63.318 63.345 -0.027 17536 893 1 4 . 1 1 32 32 SER H H 32 7.981 7.981 7.891 0.090 17536 894 1 4 . 1 1 33 33 GLU N N 33 121.975 121.975 128.932 -6.957 17536 895 1 4 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.849 0.830 17536 896 1 4 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.421 5.453 17536 897 1 4 . 1 1 33 33 GLU H H 33 8.661 8.661 8.122 0.539 17536 898 1 4 . 1 1 34 34 ILE N N 34 124.052 124.052 123.531 0.521 17536 899 1 4 . 1 1 34 34 ILE H H 34 8.912 8.912 8.253 0.659 17536 900 1 4 . 1 1 35 35 HIS N N 35 126.451 126.451 125.625 0.826 17536 901 1 4 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.546 2.711 17536 902 1 4 . 1 1 35 35 HIS H H 35 9.311 9.311 8.678 0.633 17536 903 1 4 . 1 1 36 36 PHE N N 36 121.806 121.806 126.637 -4.831 17536 904 1 4 . 1 1 36 36 PHE H H 36 9.521 9.521 9.030 0.491 17536 905 1 4 . 1 1 37 37 LYS N N 37 121.707 121.707 126.498 -4.791 17536 906 1 4 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.236 0.479 17536 907 1 4 . 1 1 37 37 LYS CB C 37 33.375 33.375 33.820 -0.445 17536 908 1 4 . 1 1 37 37 LYS H H 37 9.572 9.572 8.628 0.944 17536 909 1 4 . 1 1 38 38 VAL N N 38 120.042 120.042 125.289 -5.247 17536 910 1 4 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.279 -1.645 17536 911 1 4 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.235 0.598 17536 912 1 4 . 1 1 38 38 VAL H H 38 9.127 9.127 8.114 1.013 17536 913 1 4 . 1 1 39 39 LYS N N 39 123.275 123.275 125.080 -1.805 17536 914 1 4 . 1 1 39 39 LYS CA C 39 56.199 56.199 56.398 -0.199 17536 915 1 4 . 1 1 39 39 LYS CB C 39 31.498 31.498 33.047 -1.549 17536 916 1 4 . 1 1 39 39 LYS H H 39 8.112 8.112 8.241 -0.129 17536 917 1 4 . 1 1 40 40 MET N N 40 119.217 119.217 119.351 -0.134 17536 918 1 4 . 1 1 40 40 MET CA C 40 56.982 56.982 57.688 -0.706 17536 919 1 4 . 1 1 40 40 MET CB C 40 30.542 30.542 32.723 -2.181 17536 920 1 4 . 1 1 40 40 MET H H 40 8.436 8.436 8.485 -0.049 17536 921 1 4 . 1 1 41 41 THR N N 41 126.854 126.854 110.897 15.957 17536 922 1 4 . 1 1 41 41 THR CA C 41 59.606 59.606 62.859 -3.253 17536 923 1 4 . 1 1 41 41 THR CB C 41 68.156 68.156 69.273 -1.117 17536 924 1 4 . 1 1 41 41 THR H H 41 6.958 6.958 7.914 -0.956 17536 925 1 4 . 1 1 42 42 THR N N 42 122.773 122.773 115.338 7.435 17536 926 1 4 . 1 1 42 42 THR CB C 42 69.362 69.362 69.686 -0.324 17536 927 1 4 . 1 1 42 42 THR H H 42 7.452 7.452 7.713 -0.261 17536 928 1 4 . 1 1 43 43 HIS N N 43 124.643 124.643 119.802 4.841 17536 929 1 4 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.113 -0.395 17536 930 1 4 . 1 1 43 43 HIS CB C 43 29.072 29.072 31.129 -2.057 17536 931 1 4 . 1 1 43 43 HIS H H 43 8.544 8.544 8.074 0.470 17536 932 1 4 . 1 1 44 44 LEU N N 44 124.399 124.399 120.746 3.653 17536 933 1 4 . 1 1 44 44 LEU CA C 44 57.612 57.612 56.219 1.393 17536 934 1 4 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.414 -1.686 17536 935 1 4 . 1 1 44 44 LEU H H 44 9.406 9.406 8.359 1.047 17536 936 1 4 . 1 1 45 45 LYS N N 45 122.482 122.482 119.894 2.588 17536 937 1 4 . 1 1 45 45 LYS H H 45 8.871 8.871 8.460 0.411 17536 938 1 4 . 1 1 46 46 LYS N N 46 114.179 114.179 118.770 -4.591 17536 939 1 4 . 1 1 46 46 LYS H H 46 8.202 8.202 7.593 0.609 17536 940 1 4 . 1 1 47 47 LEU N N 47 120.590 120.590 120.550 0.040 17536 941 1 4 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.313 -0.537 17536 942 1 4 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.889 -0.368 17536 943 1 4 . 1 1 47 47 LEU H H 47 6.773 6.773 7.581 -0.808 17536 944 1 4 . 1 1 48 48 LYS N N 48 118.663 118.663 119.387 -0.724 17536 945 1 4 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.603 -0.345 17536 946 1 4 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.124 -1.004 17536 947 1 4 . 1 1 48 48 LYS H H 48 7.643 7.643 7.638 0.006 17536 948 1 4 . 1 1 49 49 GLU N N 49 117.638 117.638 119.617 -1.979 17536 949 1 4 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.623 -0.513 17536 950 1 4 . 1 1 49 49 GLU H H 49 8.573 8.573 8.111 0.462 17536 951 1 4 . 1 1 50 50 SER N N 50 114.362 114.362 115.411 -1.049 17536 952 1 4 . 1 1 50 50 SER H H 50 7.402 7.402 8.036 -0.634 17536 953 1 4 . 1 1 51 51 TYR N N 51 120.627 120.627 122.951 -2.324 17536 954 1 4 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.519 1.495 17536 955 1 4 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.671 -0.908 17536 956 1 4 . 1 1 51 51 TYR H H 51 8.770 8.770 8.070 0.700 17536 957 1 4 . 1 1 52 52 CYS N N 52 117.068 117.068 116.764 0.304 17536 958 1 4 . 1 1 52 52 CYS CA C 52 64.636 64.636 63.019 1.617 17536 959 1 4 . 1 1 52 52 CYS CB C 52 25.452 25.452 27.618 -2.166 17536 960 1 4 . 1 1 52 52 CYS H H 52 8.814 8.814 7.995 0.819 17536 961 1 4 . 1 1 53 53 GLN N N 53 119.373 119.373 119.546 -0.173 17536 962 1 4 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.042 0.344 17536 963 1 4 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.026 -0.674 17536 964 1 4 . 1 1 53 53 GLN H H 53 8.357 8.357 7.994 0.363 17536 965 1 4 . 1 1 54 54 ARG N N 54 120.169 120.169 118.172 1.997 17536 966 1 4 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.695 0.436 17536 967 1 4 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.384 -2.347 17536 968 1 4 . 1 1 54 54 ARG H H 54 7.932 7.932 7.744 0.188 17536 969 1 4 . 1 1 55 55 GLN N N 55 114.184 114.184 116.918 -2.734 17536 970 1 4 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.323 -0.307 17536 971 1 4 . 1 1 55 55 GLN CB C 55 28.691 28.691 30.198 -1.507 17536 972 1 4 . 1 1 55 55 GLN H H 55 7.869 7.869 7.543 0.326 17536 973 1 4 . 1 1 56 56 GLY N N 56 109.634 109.634 108.820 0.814 17536 974 1 4 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.761 0.243 17536 975 1 4 . 1 1 56 56 GLY H H 56 7.935 7.935 7.779 0.156 17536 976 1 4 . 1 1 57 57 VAL N N 57 112.345 112.345 120.798 -8.453 17536 977 1 4 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.898 -1.683 17536 978 1 4 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.341 -3.136 17536 979 1 4 . 1 1 57 57 VAL H H 57 7.680 7.680 7.578 0.102 17536 980 1 4 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.156 -1.316 17536 981 1 4 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.585 -1.438 17536 982 1 4 . 1 1 59 59 MET N N 59 124.540 124.540 122.265 2.275 17536 983 1 4 . 1 1 59 59 MET CA C 59 57.840 57.840 58.580 -0.740 17536 984 1 4 . 1 1 59 59 MET CB C 59 31.677 31.677 32.414 -0.737 17536 985 1 4 . 1 1 59 59 MET H H 59 8.991 8.991 8.650 0.341 17536 986 1 4 . 1 1 60 60 ASN N N 60 113.019 113.019 114.405 -1.386 17536 987 1 4 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.312 -1.707 17536 988 1 4 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.759 -1.247 17536 989 1 4 . 1 1 60 60 ASN H H 60 8.412 8.412 8.128 0.284 17536 990 1 4 . 1 1 61 61 SER N N 61 113.126 113.126 115.938 -2.812 17536 991 1 4 . 1 1 61 61 SER CA C 61 59.328 59.328 61.028 -1.700 17536 992 1 4 . 1 1 61 61 SER CB C 61 64.220 64.220 63.497 0.723 17536 993 1 4 . 1 1 61 61 SER H H 61 7.938 7.938 8.220 -0.282 17536 994 1 4 . 1 1 62 62 LEU N N 62 120.885 120.885 116.254 4.631 17536 995 1 4 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.814 -0.563 17536 996 1 4 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.370 1.832 17536 997 1 4 . 1 1 62 62 LEU H H 62 7.264 7.264 7.341 -0.077 17536 998 1 4 . 1 1 63 63 ARG N N 63 120.159 120.159 118.137 2.022 17536 999 1 4 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.680 -1.710 17536 1000 1 4 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.983 -0.938 17536 1001 1 4 . 1 1 63 63 ARG H H 63 9.050 9.050 7.853 1.197 17536 1002 1 4 . 1 1 64 64 PHE N N 64 122.440 122.440 122.881 -0.441 17536 1003 1 4 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.962 -0.096 17536 1004 1 4 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.492 -1.727 17536 1005 1 4 . 1 1 64 64 PHE H H 64 8.880 8.880 8.996 -0.116 17536 1006 1 4 . 1 1 65 65 LEU N N 65 124.383 124.383 118.546 5.837 17536 1007 1 4 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.723 -0.318 17536 1008 1 4 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.800 -0.595 17536 1009 1 4 . 1 1 65 65 LEU H H 65 9.773 9.773 9.076 0.697 17536 1010 1 4 . 1 1 66 66 PHE N N 66 119.605 119.605 120.049 -0.444 17536 1011 1 4 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.724 -0.945 17536 1012 1 4 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.063 -2.206 17536 1013 1 4 . 1 1 66 66 PHE H H 66 9.020 9.020 9.002 0.018 17536 1014 1 4 . 1 1 67 67 GLU N N 67 129.259 129.259 123.040 6.219 17536 1015 1 4 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.921 -0.599 17536 1016 1 4 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.038 -2.139 17536 1017 1 4 . 1 1 67 67 GLU H H 67 9.372 9.372 8.820 0.552 17536 1018 1 4 . 1 1 68 68 GLY N N 68 106.230 106.230 104.174 2.056 17536 1019 1 4 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.188 -0.373 17536 1020 1 4 . 1 1 68 68 GLY H H 68 8.852 8.852 8.587 0.265 17536 1021 1 4 . 1 1 69 69 GLN N N 69 120.665 120.665 121.275 -0.610 17536 1022 1 4 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.157 -1.650 17536 1023 1 4 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.656 0.119 17536 1024 1 4 . 1 1 69 69 GLN H H 69 8.012 8.012 7.785 0.227 17536 1025 1 4 . 1 1 70 70 ARG N N 70 124.728 124.728 122.241 2.487 17536 1026 1 4 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.666 -0.830 17536 1027 1 4 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.972 -1.595 17536 1028 1 4 . 1 1 70 70 ARG H H 70 8.798 8.798 8.552 0.246 17536 1029 1 4 . 1 1 71 71 ILE N N 71 126.508 126.508 121.413 5.095 17536 1030 1 4 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.539 0.483 17536 1031 1 4 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.672 -1.746 17536 1032 1 4 . 1 1 71 71 ILE H H 71 8.963 8.963 7.917 1.046 17536 1033 1 4 . 1 1 72 72 ALA N N 72 112.644 112.644 130.553 -17.909 17536 1034 1 4 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.254 -2.070 17536 1035 1 4 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.547 -1.985 17536 1036 1 4 . 1 1 72 72 ALA H H 72 10.898 10.898 9.040 1.858 17536 1037 1 4 . 1 1 73 73 ASP N N 73 120.048 120.048 119.361 0.687 17536 1038 1 4 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.969 0.572 17536 1039 1 4 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.164 -1.685 17536 1040 1 4 . 1 1 73 73 ASP H H 73 8.703 8.703 8.687 0.016 17536 1041 1 4 . 1 1 74 74 ASN N N 74 109.993 109.993 113.160 -3.167 17536 1042 1 4 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.641 -0.963 17536 1043 1 4 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.860 -2.178 17536 1044 1 4 . 1 1 74 74 ASN H H 74 7.816 7.816 7.922 -0.106 17536 1045 1 4 . 1 1 75 75 HIS N N 75 119.905 119.905 120.488 -0.583 17536 1046 1 4 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.364 -2.272 17536 1047 1 4 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.730 1.987 17536 1048 1 4 . 1 1 75 75 HIS H H 75 7.130 7.130 7.333 -0.203 17536 1049 1 4 . 1 1 76 76 THR N N 76 108.552 108.552 113.931 -5.379 17536 1050 1 4 . 1 1 76 76 THR CA C 76 57.324 57.324 61.559 -4.234 17536 1051 1 4 . 1 1 76 76 THR CB C 76 69.679 69.679 70.490 -0.811 17536 1052 1 4 . 1 1 76 76 THR H H 76 7.230 7.230 8.609 -1.379 17536 1053 1 4 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.071 0.201 17536 1054 1 4 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.574 0.042 17536 1055 1 4 . 1 1 78 78 LYS N N 78 115.253 115.253 117.379 -2.126 17536 1056 1 4 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.930 -0.434 17536 1057 1 4 . 1 1 78 78 LYS CB C 78 31.646 31.646 32.161 -0.515 17536 1058 1 4 . 1 1 78 78 LYS H H 78 8.021 8.021 8.148 -0.127 17536 1059 1 4 . 1 1 79 79 GLU N N 79 120.837 120.837 116.578 4.259 17536 1060 1 4 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.355 1.028 17536 1061 1 4 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.854 -1.607 17536 1062 1 4 . 1 1 79 79 GLU H H 79 7.992 7.992 8.678 -0.686 17536 1063 1 4 . 1 1 80 80 LEU N N 80 115.222 115.222 118.830 -3.608 17536 1064 1 4 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.263 -1.223 17536 1065 1 4 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.736 -1.341 17536 1066 1 4 . 1 1 80 80 LEU H H 80 7.507 7.507 7.644 -0.137 17536 1067 1 4 . 1 1 81 81 GLY N N 81 108.030 108.030 107.453 0.577 17536 1068 1 4 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.962 -0.033 17536 1069 1 4 . 1 1 81 81 GLY H H 81 7.656 7.656 7.865 -0.209 17536 1070 1 4 . 1 1 82 82 MET N N 82 117.690 117.690 118.899 -1.209 17536 1071 1 4 . 1 1 82 82 MET CA C 82 56.371 56.371 56.218 0.153 17536 1072 1 4 . 1 1 82 82 MET CB C 82 33.507 33.507 32.319 1.188 17536 1073 1 4 . 1 1 82 82 MET H H 82 7.646 7.646 7.746 -0.100 17536 1074 1 4 . 1 1 83 83 GLU N N 83 121.031 121.031 125.067 -4.036 17536 1075 1 4 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.247 -2.768 17536 1076 1 4 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.937 1.819 17536 1077 1 4 . 1 1 83 83 GLU H H 83 9.316 9.316 8.404 0.912 17536 1078 1 4 . 1 1 84 84 GLU N N 84 119.223 119.223 119.119 0.104 17536 1079 1 4 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.481 1.378 17536 1080 1 4 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.079 -1.177 17536 1081 1 4 . 1 1 84 84 GLU H H 84 8.303 8.303 8.337 -0.034 17536 1082 1 4 . 1 1 85 85 GLU N N 85 118.921 118.921 116.857 2.064 17536 1083 1 4 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.956 1.079 17536 1084 1 4 . 1 1 85 85 GLU CB C 85 25.627 25.627 28.940 -3.313 17536 1085 1 4 . 1 1 85 85 GLU H H 85 9.445 9.445 8.803 0.642 17536 1086 1 4 . 1 1 86 86 ASP N N 86 120.152 120.152 117.714 2.438 17536 1087 1 4 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.200 -0.771 17536 1088 1 4 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.703 -0.406 17536 1089 1 4 . 1 1 86 86 ASP H H 86 8.170 8.170 8.119 0.051 17536 1090 1 4 . 1 1 87 87 VAL N N 87 117.258 117.258 118.116 -0.858 17536 1091 1 4 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.322 -0.315 17536 1092 1 4 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.218 -1.059 17536 1093 1 4 . 1 1 87 87 VAL H H 87 8.189 8.189 8.288 -0.099 17536 1094 1 4 . 1 1 88 88 ILE N N 88 127.588 127.588 123.747 3.841 17536 1095 1 4 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.786 -0.578 17536 1096 1 4 . 1 1 88 88 ILE CB C 88 40.002 40.002 41.945 -1.943 17536 1097 1 4 . 1 1 88 88 ILE H H 88 9.308 9.308 8.256 1.052 17536 1098 1 4 . 1 1 89 89 GLU N N 89 125.759 125.759 125.532 0.227 17536 1099 1 4 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.897 -0.369 17536 1100 1 4 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.879 -0.560 17536 1101 1 4 . 1 1 89 89 GLU H H 89 8.878 8.878 8.325 0.553 17536 1102 1 4 . 1 1 90 90 VAL N N 90 119.884 119.884 123.413 -3.529 17536 1103 1 4 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.558 -1.290 17536 1104 1 4 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.457 -0.382 17536 1105 1 4 . 1 1 90 90 VAL H H 90 7.842 7.842 8.243 -0.401 17536 1106 1 4 . 1 1 91 91 TYR N N 91 124.563 124.563 124.088 0.475 17536 1107 1 4 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.530 -0.789 17536 1108 1 4 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.755 -0.112 17536 1109 1 4 . 1 1 91 91 TYR H H 91 8.575 8.575 9.005 -0.430 17536 1110 1 4 . 1 1 92 92 GLN N N 92 120.648 120.648 123.018 -2.370 17536 1111 1 4 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.360 -0.639 17536 1112 1 4 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.137 -0.781 17536 1113 1 4 . 1 1 92 92 GLN H H 92 8.745 8.745 8.596 0.149 17536 1114 1 4 . 1 1 93 93 GLU N N 93 124.997 124.997 127.747 -2.750 17536 1115 1 4 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.595 -1.004 17536 1116 1 4 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.777 -1.321 17536 1117 1 4 . 1 1 93 93 GLU H H 93 8.435 8.435 8.778 -0.343 17536 1118 1 4 . 1 1 94 94 GLN N N 94 122.830 122.830 123.166 -0.336 17536 1119 1 4 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.020 0.342 17536 1120 1 4 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.993 -2.384 17536 1121 1 4 . 1 1 94 94 GLN H H 94 8.752 8.752 8.185 0.567 17536 1122 1 4 . 1 1 95 95 THR N N 95 116.050 116.050 111.769 4.281 17536 1123 1 4 . 1 1 95 95 THR CA C 95 61.600 61.600 60.709 0.891 17536 1124 1 4 . 1 1 95 95 THR CB C 95 69.218 69.218 70.232 -1.014 17536 1125 1 4 . 1 1 95 95 THR H H 95 8.370 8.370 8.162 0.208 17536 1126 1 4 . 1 1 96 96 GLY N N 96 111.777 111.777 108.748 3.029 17536 1127 1 4 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.739 -0.019 17536 1128 1 4 . 1 1 96 96 GLY H H 96 8.471 8.471 8.374 0.097 17536 1129 1 5 . 1 1 21 21 TYR N N 21 118.396 118.396 120.187 -1.791 17536 1130 1 5 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.199 -0.052 17536 1131 1 5 . 1 1 21 21 TYR CB C 21 40.823 40.823 40.058 0.765 17536 1132 1 5 . 1 1 21 21 TYR H H 21 8.286 8.286 7.907 0.379 17536 1133 1 5 . 1 1 22 22 ILE N N 22 116.826 116.826 119.563 -2.737 17536 1134 1 5 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.914 -0.715 17536 1135 1 5 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.432 1.293 17536 1136 1 5 . 1 1 22 22 ILE H H 22 9.062 9.062 8.926 0.136 17536 1137 1 5 . 1 1 23 23 LYS N N 23 125.020 125.020 126.308 -1.288 17536 1138 1 5 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.643 -1.582 17536 1139 1 5 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.614 -0.019 17536 1140 1 5 . 1 1 23 23 LYS H H 23 8.626 8.626 8.536 0.090 17536 1141 1 5 . 1 1 24 24 LEU N N 24 125.519 125.519 129.403 -3.884 17536 1142 1 5 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.803 -1.660 17536 1143 1 5 . 1 1 24 24 LEU CB C 24 33.273 33.273 42.697 -9.425 17536 1144 1 5 . 1 1 24 24 LEU H H 24 9.235 9.235 8.124 1.111 17536 1145 1 5 . 1 1 25 25 LYS N N 25 120.608 120.608 125.740 -5.132 17536 1146 1 5 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.483 -1.504 17536 1147 1 5 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.454 0.604 17536 1148 1 5 . 1 1 25 25 LYS H H 25 8.769 8.769 8.145 0.624 17536 1149 1 5 . 1 1 26 26 VAL N N 26 124.031 124.031 126.804 -2.773 17536 1150 1 5 . 1 1 26 26 VAL CA C 26 61.238 61.238 61.688 -0.450 17536 1151 1 5 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.325 0.695 17536 1152 1 5 . 1 1 26 26 VAL H H 26 9.330 9.330 7.900 1.430 17536 1153 1 5 . 1 1 27 27 ILE N N 27 128.203 128.203 128.064 0.139 17536 1154 1 5 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.325 -0.577 17536 1155 1 5 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.962 0.687 17536 1156 1 5 . 1 1 27 27 ILE H H 27 8.996 8.996 7.799 1.197 17536 1157 1 5 . 1 1 28 28 GLY N N 28 113.380 113.380 114.921 -1.541 17536 1158 1 5 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.764 -1.238 17536 1159 1 5 . 1 1 28 28 GLY H H 28 8.520 8.520 8.406 0.114 17536 1160 1 5 . 1 1 29 29 GLN N N 29 120.798 120.798 119.238 1.560 17536 1161 1 5 . 1 1 29 29 GLN CA C 29 57.113 57.113 56.191 0.922 17536 1162 1 5 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.451 -0.728 17536 1163 1 5 . 1 1 29 29 GLN H H 29 8.683 8.683 8.383 0.300 17536 1164 1 5 . 1 1 30 30 ASP N N 30 118.553 118.553 118.687 -0.134 17536 1165 1 5 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.682 -0.793 17536 1166 1 5 . 1 1 30 30 ASP CB C 30 39.011 39.011 39.714 -0.703 17536 1167 1 5 . 1 1 30 30 ASP H H 30 8.427 8.427 7.855 0.572 17536 1168 1 5 . 1 1 31 31 SER N N 31 111.431 111.431 114.443 -3.012 17536 1169 1 5 . 1 1 31 31 SER CA C 31 60.317 60.317 59.629 0.688 17536 1170 1 5 . 1 1 31 31 SER CB C 31 61.567 61.567 63.177 -1.610 17536 1171 1 5 . 1 1 31 31 SER H H 31 7.998 7.998 8.597 -0.599 17536 1172 1 5 . 1 1 32 32 SER N N 32 117.290 117.290 117.557 -0.267 17536 1173 1 5 . 1 1 32 32 SER CA C 32 58.422 58.422 58.002 0.420 17536 1174 1 5 . 1 1 32 32 SER CB C 32 63.318 63.318 63.410 -0.092 17536 1175 1 5 . 1 1 32 32 SER H H 32 7.981 7.981 7.874 0.107 17536 1176 1 5 . 1 1 33 33 GLU N N 33 121.975 121.975 128.301 -6.326 17536 1177 1 5 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.638 1.041 17536 1178 1 5 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.618 5.256 17536 1179 1 5 . 1 1 33 33 GLU H H 33 8.661 8.661 8.290 0.371 17536 1180 1 5 . 1 1 34 34 ILE N N 34 124.052 124.052 123.180 0.872 17536 1181 1 5 . 1 1 34 34 ILE H H 34 8.912 8.912 8.382 0.530 17536 1182 1 5 . 1 1 35 35 HIS N N 35 126.451 126.451 123.216 3.235 17536 1183 1 5 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.864 2.393 17536 1184 1 5 . 1 1 35 35 HIS H H 35 9.311 9.311 8.463 0.848 17536 1185 1 5 . 1 1 36 36 PHE N N 36 121.806 121.806 124.944 -3.138 17536 1186 1 5 . 1 1 36 36 PHE H H 36 9.521 9.521 8.580 0.941 17536 1187 1 5 . 1 1 37 37 LYS N N 37 121.707 121.707 125.629 -3.922 17536 1188 1 5 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.373 0.342 17536 1189 1 5 . 1 1 37 37 LYS CB C 37 33.375 33.375 33.852 -0.477 17536 1190 1 5 . 1 1 37 37 LYS H H 37 9.572 9.572 8.542 1.030 17536 1191 1 5 . 1 1 38 38 VAL N N 38 120.042 120.042 124.369 -4.327 17536 1192 1 5 . 1 1 38 38 VAL CA C 38 58.634 58.634 59.802 -1.168 17536 1193 1 5 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.712 0.121 17536 1194 1 5 . 1 1 38 38 VAL H H 38 9.127 9.127 8.173 0.954 17536 1195 1 5 . 1 1 39 39 LYS N N 39 123.275 123.275 121.694 1.581 17536 1196 1 5 . 1 1 39 39 LYS CA C 39 56.199 56.199 55.523 0.676 17536 1197 1 5 . 1 1 39 39 LYS CB C 39 31.498 31.498 33.546 -2.048 17536 1198 1 5 . 1 1 39 39 LYS H H 39 8.112 8.112 8.002 0.110 17536 1199 1 5 . 1 1 40 40 MET N N 40 119.217 119.217 116.440 2.777 17536 1200 1 5 . 1 1 40 40 MET CA C 40 56.982 56.982 57.277 -0.295 17536 1201 1 5 . 1 1 40 40 MET CB C 40 30.542 30.542 33.279 -2.737 17536 1202 1 5 . 1 1 40 40 MET H H 40 8.436 8.436 8.638 -0.202 17536 1203 1 5 . 1 1 41 41 THR N N 41 126.854 126.854 111.342 15.512 17536 1204 1 5 . 1 1 41 41 THR CA C 41 59.606 59.606 61.518 -1.912 17536 1205 1 5 . 1 1 41 41 THR CB C 41 68.156 68.156 68.775 -0.619 17536 1206 1 5 . 1 1 41 41 THR H H 41 6.958 6.958 7.960 -1.002 17536 1207 1 5 . 1 1 42 42 THR N N 42 122.773 122.773 115.227 7.546 17536 1208 1 5 . 1 1 42 42 THR CB C 42 69.362 69.362 70.896 -1.534 17536 1209 1 5 . 1 1 42 42 THR H H 42 7.452 7.452 7.226 0.226 17536 1210 1 5 . 1 1 43 43 HIS N N 43 124.643 124.643 121.490 3.153 17536 1211 1 5 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.618 -0.900 17536 1212 1 5 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.688 -1.616 17536 1213 1 5 . 1 1 43 43 HIS H H 43 8.544 8.544 8.613 -0.069 17536 1214 1 5 . 1 1 44 44 LEU N N 44 124.399 124.399 121.706 2.693 17536 1215 1 5 . 1 1 44 44 LEU CA C 44 57.612 57.612 56.196 1.416 17536 1216 1 5 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.639 -1.911 17536 1217 1 5 . 1 1 44 44 LEU H H 44 9.406 9.406 8.348 1.058 17536 1218 1 5 . 1 1 45 45 LYS N N 45 122.482 122.482 120.194 2.288 17536 1219 1 5 . 1 1 45 45 LYS H H 45 8.871 8.871 8.555 0.316 17536 1220 1 5 . 1 1 46 46 LYS N N 46 114.179 114.179 118.119 -3.940 17536 1221 1 5 . 1 1 46 46 LYS H H 46 8.202 8.202 7.630 0.572 17536 1222 1 5 . 1 1 47 47 LEU N N 47 120.590 120.590 121.192 -0.602 17536 1223 1 5 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.389 -0.613 17536 1224 1 5 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.933 -0.412 17536 1225 1 5 . 1 1 47 47 LEU H H 47 6.773 6.773 7.620 -0.847 17536 1226 1 5 . 1 1 48 48 LYS N N 48 118.663 118.663 119.246 -0.583 17536 1227 1 5 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.590 -0.332 17536 1228 1 5 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.125 -1.004 17536 1229 1 5 . 1 1 48 48 LYS H H 48 7.643 7.643 7.806 -0.163 17536 1230 1 5 . 1 1 49 49 GLU N N 49 117.638 117.638 119.170 -1.532 17536 1231 1 5 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.672 -0.562 17536 1232 1 5 . 1 1 49 49 GLU H H 49 8.573 8.573 7.983 0.590 17536 1233 1 5 . 1 1 50 50 SER N N 50 114.362 114.362 116.330 -1.968 17536 1234 1 5 . 1 1 50 50 SER H H 50 7.402 7.402 8.130 -0.728 17536 1235 1 5 . 1 1 51 51 TYR N N 51 120.627 120.627 122.530 -1.903 17536 1236 1 5 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.338 1.676 17536 1237 1 5 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.927 -1.164 17536 1238 1 5 . 1 1 51 51 TYR H H 51 8.770 8.770 7.926 0.844 17536 1239 1 5 . 1 1 52 52 CYS N N 52 117.068 117.068 116.001 1.067 17536 1240 1 5 . 1 1 52 52 CYS CA C 52 64.636 64.636 62.727 1.909 17536 1241 1 5 . 1 1 52 52 CYS CB C 52 25.452 25.452 28.241 -2.789 17536 1242 1 5 . 1 1 52 52 CYS H H 52 8.814 8.814 7.926 0.888 17536 1243 1 5 . 1 1 53 53 GLN N N 53 119.373 119.373 119.447 -0.074 17536 1244 1 5 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.015 0.371 17536 1245 1 5 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.037 -0.685 17536 1246 1 5 . 1 1 53 53 GLN H H 53 8.357 8.357 7.958 0.399 17536 1247 1 5 . 1 1 54 54 ARG N N 54 120.169 120.169 118.409 1.760 17536 1248 1 5 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.471 0.660 17536 1249 1 5 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.230 -2.193 17536 1250 1 5 . 1 1 54 54 ARG H H 54 7.932 7.932 7.776 0.156 17536 1251 1 5 . 1 1 55 55 GLN N N 55 114.184 114.184 116.780 -2.596 17536 1252 1 5 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.034 -0.018 17536 1253 1 5 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.659 -0.968 17536 1254 1 5 . 1 1 55 55 GLN H H 55 7.869 7.869 7.211 0.658 17536 1255 1 5 . 1 1 56 56 GLY N N 56 109.634 109.634 108.852 0.782 17536 1256 1 5 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.794 0.210 17536 1257 1 5 . 1 1 56 56 GLY H H 56 7.935 7.935 7.771 0.164 17536 1258 1 5 . 1 1 57 57 VAL N N 57 112.345 112.345 120.809 -8.464 17536 1259 1 5 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.916 -1.701 17536 1260 1 5 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.378 -3.173 17536 1261 1 5 . 1 1 57 57 VAL H H 57 7.680 7.680 7.635 0.045 17536 1262 1 5 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.155 -1.315 17536 1263 1 5 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.593 -1.446 17536 1264 1 5 . 1 1 59 59 MET N N 59 124.540 124.540 122.325 2.215 17536 1265 1 5 . 1 1 59 59 MET CA C 59 57.840 57.840 58.614 -0.774 17536 1266 1 5 . 1 1 59 59 MET CB C 59 31.677 31.677 32.414 -0.737 17536 1267 1 5 . 1 1 59 59 MET H H 59 8.991 8.991 8.659 0.332 17536 1268 1 5 . 1 1 60 60 ASN N N 60 113.019 113.019 114.490 -1.471 17536 1269 1 5 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.324 -1.719 17536 1270 1 5 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.742 -1.230 17536 1271 1 5 . 1 1 60 60 ASN H H 60 8.412 8.412 8.151 0.261 17536 1272 1 5 . 1 1 61 61 SER N N 61 113.126 113.126 115.964 -2.838 17536 1273 1 5 . 1 1 61 61 SER CA C 61 59.328 59.328 61.032 -1.704 17536 1274 1 5 . 1 1 61 61 SER CB C 61 64.220 64.220 63.510 0.710 17536 1275 1 5 . 1 1 61 61 SER H H 61 7.938 7.938 8.226 -0.288 17536 1276 1 5 . 1 1 62 62 LEU N N 62 120.885 120.885 116.268 4.617 17536 1277 1 5 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.826 -0.575 17536 1278 1 5 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.383 1.819 17536 1279 1 5 . 1 1 62 62 LEU H H 62 7.264 7.264 7.350 -0.086 17536 1280 1 5 . 1 1 63 63 ARG N N 63 120.159 120.159 118.145 2.014 17536 1281 1 5 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.687 -1.717 17536 1282 1 5 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.989 -0.944 17536 1283 1 5 . 1 1 63 63 ARG H H 63 9.050 9.050 7.863 1.187 17536 1284 1 5 . 1 1 64 64 PHE N N 64 122.440 122.440 122.893 -0.453 17536 1285 1 5 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.970 -0.104 17536 1286 1 5 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.497 -1.732 17536 1287 1 5 . 1 1 64 64 PHE H H 64 8.880 8.880 9.001 -0.121 17536 1288 1 5 . 1 1 65 65 LEU N N 65 124.383 124.383 118.562 5.821 17536 1289 1 5 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.720 -0.315 17536 1290 1 5 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.797 -0.592 17536 1291 1 5 . 1 1 65 65 LEU H H 65 9.773 9.773 9.074 0.699 17536 1292 1 5 . 1 1 66 66 PHE N N 66 119.605 119.605 120.048 -0.443 17536 1293 1 5 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.708 -0.929 17536 1294 1 5 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.055 -2.198 17536 1295 1 5 . 1 1 66 66 PHE H H 66 9.020 9.020 8.997 0.023 17536 1296 1 5 . 1 1 67 67 GLU N N 67 129.259 129.259 123.021 6.238 17536 1297 1 5 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.916 -0.594 17536 1298 1 5 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.038 -2.138 17536 1299 1 5 . 1 1 67 67 GLU H H 67 9.372 9.372 8.813 0.559 17536 1300 1 5 . 1 1 68 68 GLY N N 68 106.230 106.230 104.170 2.060 17536 1301 1 5 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.181 -0.366 17536 1302 1 5 . 1 1 68 68 GLY H H 68 8.852 8.852 8.582 0.270 17536 1303 1 5 . 1 1 69 69 GLN N N 69 120.665 120.665 121.280 -0.615 17536 1304 1 5 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.161 -1.654 17536 1305 1 5 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.652 0.123 17536 1306 1 5 . 1 1 69 69 GLN H H 69 8.012 8.012 7.784 0.228 17536 1307 1 5 . 1 1 70 70 ARG N N 70 124.728 124.728 122.238 2.490 17536 1308 1 5 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.667 -0.831 17536 1309 1 5 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.974 -1.597 17536 1310 1 5 . 1 1 70 70 ARG H H 70 8.798 8.798 8.552 0.246 17536 1311 1 5 . 1 1 71 71 ILE N N 71 126.508 126.508 121.398 5.110 17536 1312 1 5 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.539 0.482 17536 1313 1 5 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.675 -1.749 17536 1314 1 5 . 1 1 71 71 ILE H H 71 8.963 8.963 7.919 1.044 17536 1315 1 5 . 1 1 72 72 ALA N N 72 112.644 112.644 130.557 -17.913 17536 1316 1 5 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.263 -2.079 17536 1317 1 5 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.555 -1.993 17536 1318 1 5 . 1 1 72 72 ALA H H 72 10.898 10.898 9.044 1.854 17536 1319 1 5 . 1 1 73 73 ASP N N 73 120.048 120.048 119.406 0.642 17536 1320 1 5 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.910 0.631 17536 1321 1 5 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.169 -1.690 17536 1322 1 5 . 1 1 73 73 ASP H H 73 8.703 8.703 8.693 0.010 17536 1323 1 5 . 1 1 74 74 ASN N N 74 109.993 109.993 113.098 -3.105 17536 1324 1 5 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.772 -1.094 17536 1325 1 5 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.929 -2.247 17536 1326 1 5 . 1 1 74 74 ASN H H 74 7.816 7.816 7.935 -0.119 17536 1327 1 5 . 1 1 75 75 HIS N N 75 119.905 119.905 120.450 -0.545 17536 1328 1 5 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.325 -2.233 17536 1329 1 5 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.739 1.978 17536 1330 1 5 . 1 1 75 75 HIS H H 75 7.130 7.130 7.358 -0.228 17536 1331 1 5 . 1 1 76 76 THR N N 76 108.552 108.552 113.783 -5.231 17536 1332 1 5 . 1 1 76 76 THR CA C 76 57.324 57.324 61.506 -4.182 17536 1333 1 5 . 1 1 76 76 THR CB C 76 69.679 69.679 70.281 -0.602 17536 1334 1 5 . 1 1 76 76 THR H H 76 7.230 7.230 8.574 -1.344 17536 1335 1 5 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.052 0.220 17536 1336 1 5 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.571 0.045 17536 1337 1 5 . 1 1 78 78 LYS N N 78 115.253 115.253 117.401 -2.148 17536 1338 1 5 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.895 -0.399 17536 1339 1 5 . 1 1 78 78 LYS CB C 78 31.646 31.646 32.131 -0.485 17536 1340 1 5 . 1 1 78 78 LYS H H 78 8.021 8.021 8.160 -0.139 17536 1341 1 5 . 1 1 79 79 GLU N N 79 120.837 120.837 116.555 4.282 17536 1342 1 5 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.340 1.044 17536 1343 1 5 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.841 -1.594 17536 1344 1 5 . 1 1 79 79 GLU H H 79 7.992 7.992 8.656 -0.664 17536 1345 1 5 . 1 1 80 80 LEU N N 80 115.222 115.222 118.816 -3.594 17536 1346 1 5 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.256 -1.216 17536 1347 1 5 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.728 -1.333 17536 1348 1 5 . 1 1 80 80 LEU H H 80 7.507 7.507 7.629 -0.122 17536 1349 1 5 . 1 1 81 81 GLY N N 81 108.030 108.030 107.443 0.587 17536 1350 1 5 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.954 -0.025 17536 1351 1 5 . 1 1 81 81 GLY H H 81 7.656 7.656 7.855 -0.199 17536 1352 1 5 . 1 1 82 82 MET N N 82 117.690 117.690 118.898 -1.208 17536 1353 1 5 . 1 1 82 82 MET CA C 82 56.371 56.371 56.201 0.170 17536 1354 1 5 . 1 1 82 82 MET CB C 82 33.507 33.507 32.307 1.200 17536 1355 1 5 . 1 1 82 82 MET H H 82 7.646 7.646 7.736 -0.090 17536 1356 1 5 . 1 1 83 83 GLU N N 83 121.031 121.031 125.087 -4.056 17536 1357 1 5 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.653 -3.174 17536 1358 1 5 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.785 1.971 17536 1359 1 5 . 1 1 83 83 GLU H H 83 9.316 9.316 8.310 1.006 17536 1360 1 5 . 1 1 84 84 GLU N N 84 119.223 119.223 118.835 0.388 17536 1361 1 5 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.594 1.264 17536 1362 1 5 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.120 -1.218 17536 1363 1 5 . 1 1 84 84 GLU H H 84 8.303 8.303 8.389 -0.086 17536 1364 1 5 . 1 1 85 85 GLU N N 85 118.921 118.921 117.969 0.952 17536 1365 1 5 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.877 1.158 17536 1366 1 5 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.194 -3.567 17536 1367 1 5 . 1 1 85 85 GLU H H 85 9.445 9.445 8.847 0.598 17536 1368 1 5 . 1 1 86 86 ASP N N 86 120.152 120.152 117.642 2.510 17536 1369 1 5 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.185 -0.756 17536 1370 1 5 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.714 -0.417 17536 1371 1 5 . 1 1 86 86 ASP H H 86 8.170 8.170 8.098 0.072 17536 1372 1 5 . 1 1 87 87 VAL N N 87 117.258 117.258 117.965 -0.707 17536 1373 1 5 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.246 -0.240 17536 1374 1 5 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.326 -1.167 17536 1375 1 5 . 1 1 87 87 VAL H H 87 8.189 8.189 8.306 -0.117 17536 1376 1 5 . 1 1 88 88 ILE N N 88 127.588 127.588 123.802 3.786 17536 1377 1 5 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.727 -0.519 17536 1378 1 5 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.059 -2.057 17536 1379 1 5 . 1 1 88 88 ILE H H 88 9.308 9.308 8.755 0.553 17536 1380 1 5 . 1 1 89 89 GLU N N 89 125.759 125.759 125.472 0.287 17536 1381 1 5 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.485 0.043 17536 1382 1 5 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.773 -0.454 17536 1383 1 5 . 1 1 89 89 GLU H H 89 8.878 8.878 8.317 0.561 17536 1384 1 5 . 1 1 90 90 VAL N N 90 119.884 119.884 123.299 -3.415 17536 1385 1 5 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.429 -1.161 17536 1386 1 5 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.626 -0.551 17536 1387 1 5 . 1 1 90 90 VAL H H 90 7.842 7.842 7.663 0.179 17536 1388 1 5 . 1 1 91 91 TYR N N 91 124.563 124.563 125.058 -0.495 17536 1389 1 5 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.555 -0.814 17536 1390 1 5 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.609 0.034 17536 1391 1 5 . 1 1 91 91 TYR H H 91 8.575 8.575 9.022 -0.447 17536 1392 1 5 . 1 1 92 92 GLN N N 92 120.648 120.648 123.013 -2.365 17536 1393 1 5 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.375 -0.654 17536 1394 1 5 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.133 -0.777 17536 1395 1 5 . 1 1 92 92 GLN H H 92 8.745 8.745 8.602 0.143 17536 1396 1 5 . 1 1 93 93 GLU N N 93 124.997 124.997 127.779 -2.782 17536 1397 1 5 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.600 -1.009 17536 1398 1 5 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.779 -1.323 17536 1399 1 5 . 1 1 93 93 GLU H H 93 8.435 8.435 8.786 -0.351 17536 1400 1 5 . 1 1 94 94 GLN N N 94 122.830 122.830 123.171 -0.341 17536 1401 1 5 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.023 0.340 17536 1402 1 5 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.996 -2.387 17536 1403 1 5 . 1 1 94 94 GLN H H 94 8.752 8.752 8.188 0.564 17536 1404 1 5 . 1 1 95 95 THR N N 95 116.050 116.050 111.773 4.277 17536 1405 1 5 . 1 1 95 95 THR CA C 95 61.600 61.600 60.712 0.888 17536 1406 1 5 . 1 1 95 95 THR CB C 95 69.218 69.218 70.234 -1.016 17536 1407 1 5 . 1 1 95 95 THR H H 95 8.370 8.370 8.164 0.206 17536 1408 1 5 . 1 1 96 96 GLY N N 96 111.777 111.777 108.752 3.025 17536 1409 1 5 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.740 -0.021 17536 1410 1 5 . 1 1 96 96 GLY H H 96 8.471 8.471 8.375 0.096 17536 1411 1 6 . 1 1 21 21 TYR N N 21 118.396 118.396 119.018 -0.622 17536 1412 1 6 . 1 1 21 21 TYR CA C 21 57.147 57.147 56.942 0.205 17536 1413 1 6 . 1 1 21 21 TYR CB C 21 40.823 40.823 41.255 -0.432 17536 1414 1 6 . 1 1 21 21 TYR H H 21 8.286 8.286 7.697 0.589 17536 1415 1 6 . 1 1 22 22 ILE N N 22 116.826 116.826 119.276 -2.450 17536 1416 1 6 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.743 -0.544 17536 1417 1 6 . 1 1 22 22 ILE CB C 22 41.725 41.725 41.076 0.649 17536 1418 1 6 . 1 1 22 22 ILE H H 22 9.062 9.062 8.193 0.869 17536 1419 1 6 . 1 1 23 23 LYS N N 23 125.020 125.020 126.556 -1.536 17536 1420 1 6 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.806 -1.745 17536 1421 1 6 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.159 0.435 17536 1422 1 6 . 1 1 23 23 LYS H H 23 8.626 8.626 8.528 0.098 17536 1423 1 6 . 1 1 24 24 LEU N N 24 125.519 125.519 127.938 -2.419 17536 1424 1 6 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.517 -1.373 17536 1425 1 6 . 1 1 24 24 LEU CB C 24 33.273 33.273 43.118 -9.845 17536 1426 1 6 . 1 1 24 24 LEU H H 24 9.235 9.235 8.447 0.788 17536 1427 1 6 . 1 1 25 25 LYS N N 25 120.608 120.608 126.051 -5.443 17536 1428 1 6 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.584 -1.606 17536 1429 1 6 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.518 0.540 17536 1430 1 6 . 1 1 25 25 LYS H H 25 8.769 8.769 8.322 0.447 17536 1431 1 6 . 1 1 26 26 VAL N N 26 124.031 124.031 126.835 -2.804 17536 1432 1 6 . 1 1 26 26 VAL CA C 26 61.238 61.238 61.596 -0.358 17536 1433 1 6 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.519 0.501 17536 1434 1 6 . 1 1 26 26 VAL H H 26 9.330 9.330 8.034 1.296 17536 1435 1 6 . 1 1 27 27 ILE N N 27 128.203 128.203 128.571 -0.368 17536 1436 1 6 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.462 -0.714 17536 1437 1 6 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.736 0.913 17536 1438 1 6 . 1 1 27 27 ILE H H 27 8.996 8.996 7.818 1.178 17536 1439 1 6 . 1 1 28 28 GLY N N 28 113.380 113.380 114.338 -0.958 17536 1440 1 6 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.220 -0.694 17536 1441 1 6 . 1 1 28 28 GLY H H 28 8.520 8.520 8.338 0.182 17536 1442 1 6 . 1 1 29 29 GLN N N 29 120.798 120.798 118.423 2.375 17536 1443 1 6 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.603 1.510 17536 1444 1 6 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.028 -0.305 17536 1445 1 6 . 1 1 29 29 GLN H H 29 8.683 8.683 8.572 0.111 17536 1446 1 6 . 1 1 30 30 ASP N N 30 118.553 118.553 118.391 0.162 17536 1447 1 6 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.805 -0.916 17536 1448 1 6 . 1 1 30 30 ASP CB C 30 39.011 39.011 40.023 -1.012 17536 1449 1 6 . 1 1 30 30 ASP H H 30 8.427 8.427 7.792 0.635 17536 1450 1 6 . 1 1 31 31 SER N N 31 111.431 111.431 114.467 -3.036 17536 1451 1 6 . 1 1 31 31 SER CA C 31 60.317 60.317 59.629 0.688 17536 1452 1 6 . 1 1 31 31 SER CB C 31 61.567 61.567 63.181 -1.615 17536 1453 1 6 . 1 1 31 31 SER H H 31 7.998 7.998 8.599 -0.601 17536 1454 1 6 . 1 1 32 32 SER N N 32 117.290 117.290 117.628 -0.338 17536 1455 1 6 . 1 1 32 32 SER CA C 32 58.422 58.422 57.947 0.475 17536 1456 1 6 . 1 1 32 32 SER CB C 32 63.318 63.318 63.419 -0.101 17536 1457 1 6 . 1 1 32 32 SER H H 32 7.981 7.981 7.872 0.109 17536 1458 1 6 . 1 1 33 33 GLU N N 33 121.975 121.975 129.080 -7.105 17536 1459 1 6 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.932 0.747 17536 1460 1 6 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.293 5.581 17536 1461 1 6 . 1 1 33 33 GLU H H 33 8.661 8.661 8.198 0.463 17536 1462 1 6 . 1 1 34 34 ILE N N 34 124.052 124.052 124.034 0.018 17536 1463 1 6 . 1 1 34 34 ILE H H 34 8.912 8.912 8.294 0.618 17536 1464 1 6 . 1 1 35 35 HIS N N 35 126.451 126.451 125.431 1.020 17536 1465 1 6 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.642 2.615 17536 1466 1 6 . 1 1 35 35 HIS H H 35 9.311 9.311 8.666 0.645 17536 1467 1 6 . 1 1 36 36 PHE N N 36 121.806 121.806 125.888 -4.082 17536 1468 1 6 . 1 1 36 36 PHE H H 36 9.521 9.521 8.702 0.819 17536 1469 1 6 . 1 1 37 37 LYS N N 37 121.707 121.707 125.152 -3.445 17536 1470 1 6 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.181 0.534 17536 1471 1 6 . 1 1 37 37 LYS CB C 37 33.375 33.375 34.331 -0.956 17536 1472 1 6 . 1 1 37 37 LYS H H 37 9.572 9.572 8.527 1.045 17536 1473 1 6 . 1 1 38 38 VAL N N 38 120.042 120.042 124.750 -4.708 17536 1474 1 6 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.883 -2.249 17536 1475 1 6 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.580 0.253 17536 1476 1 6 . 1 1 38 38 VAL H H 38 9.127 9.127 8.172 0.955 17536 1477 1 6 . 1 1 39 39 LYS N N 39 123.275 123.275 125.248 -1.973 17536 1478 1 6 . 1 1 39 39 LYS CA C 39 56.199 56.199 56.498 -0.299 17536 1479 1 6 . 1 1 39 39 LYS CB C 39 31.498 31.498 33.058 -1.560 17536 1480 1 6 . 1 1 39 39 LYS H H 39 8.112 8.112 8.620 -0.508 17536 1481 1 6 . 1 1 40 40 MET N N 40 119.217 119.217 121.305 -2.088 17536 1482 1 6 . 1 1 40 40 MET CA C 40 56.982 56.982 56.531 0.452 17536 1483 1 6 . 1 1 40 40 MET CB C 40 30.542 30.542 31.807 -1.265 17536 1484 1 6 . 1 1 40 40 MET H H 40 8.436 8.436 8.390 0.046 17536 1485 1 6 . 1 1 41 41 THR N N 41 126.854 126.854 109.741 17.113 17536 1486 1 6 . 1 1 41 41 THR CA C 41 59.606 59.606 61.422 -1.816 17536 1487 1 6 . 1 1 41 41 THR CB C 41 68.156 68.156 69.171 -1.015 17536 1488 1 6 . 1 1 41 41 THR H H 41 6.958 6.958 7.884 -0.926 17536 1489 1 6 . 1 1 42 42 THR N N 42 122.773 122.773 118.514 4.259 17536 1490 1 6 . 1 1 42 42 THR CB C 42 69.362 69.362 71.580 -2.218 17536 1491 1 6 . 1 1 42 42 THR H H 42 7.452 7.452 7.296 0.155 17536 1492 1 6 . 1 1 43 43 HIS N N 43 124.643 124.643 119.387 5.256 17536 1493 1 6 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.226 -0.508 17536 1494 1 6 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.838 -1.766 17536 1495 1 6 . 1 1 43 43 HIS H H 43 8.544 8.544 8.506 0.038 17536 1496 1 6 . 1 1 44 44 LEU N N 44 124.399 124.399 120.592 3.807 17536 1497 1 6 . 1 1 44 44 LEU CA C 44 57.612 57.612 56.309 1.303 17536 1498 1 6 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.605 -1.877 17536 1499 1 6 . 1 1 44 44 LEU H H 44 9.406 9.406 8.238 1.168 17536 1500 1 6 . 1 1 45 45 LYS N N 45 122.482 122.482 119.902 2.580 17536 1501 1 6 . 1 1 45 45 LYS H H 45 8.871 8.871 8.522 0.349 17536 1502 1 6 . 1 1 46 46 LYS N N 46 114.179 114.179 118.413 -4.234 17536 1503 1 6 . 1 1 46 46 LYS H H 46 8.202 8.202 7.625 0.577 17536 1504 1 6 . 1 1 47 47 LEU N N 47 120.590 120.590 121.209 -0.619 17536 1505 1 6 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.477 -0.701 17536 1506 1 6 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.937 -0.416 17536 1507 1 6 . 1 1 47 47 LEU H H 47 6.773 6.773 7.616 -0.843 17536 1508 1 6 . 1 1 48 48 LYS N N 48 118.663 118.663 119.179 -0.516 17536 1509 1 6 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.569 -0.311 17536 1510 1 6 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.117 -0.996 17536 1511 1 6 . 1 1 48 48 LYS H H 48 7.643 7.643 7.713 -0.070 17536 1512 1 6 . 1 1 49 49 GLU N N 49 117.638 117.638 119.392 -1.754 17536 1513 1 6 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.699 -0.589 17536 1514 1 6 . 1 1 49 49 GLU H H 49 8.573 8.573 7.877 0.696 17536 1515 1 6 . 1 1 50 50 SER N N 50 114.362 114.362 116.638 -2.276 17536 1516 1 6 . 1 1 50 50 SER H H 50 7.402 7.402 8.305 -0.903 17536 1517 1 6 . 1 1 51 51 TYR N N 51 120.627 120.627 122.585 -1.958 17536 1518 1 6 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.379 1.635 17536 1519 1 6 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.951 -1.188 17536 1520 1 6 . 1 1 51 51 TYR H H 51 8.770 8.770 8.014 0.756 17536 1521 1 6 . 1 1 52 52 CYS N N 52 117.068 117.068 116.238 0.830 17536 1522 1 6 . 1 1 52 52 CYS CA C 52 64.636 64.636 63.022 1.615 17536 1523 1 6 . 1 1 52 52 CYS CB C 52 25.452 25.452 28.404 -2.952 17536 1524 1 6 . 1 1 52 52 CYS H H 52 8.814 8.814 7.908 0.906 17536 1525 1 6 . 1 1 53 53 GLN N N 53 119.373 119.373 119.501 -0.128 17536 1526 1 6 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.044 0.342 17536 1527 1 6 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.043 -0.691 17536 1528 1 6 . 1 1 53 53 GLN H H 53 8.357 8.357 8.132 0.225 17536 1529 1 6 . 1 1 54 54 ARG N N 54 120.169 120.169 118.477 1.692 17536 1530 1 6 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.376 0.755 17536 1531 1 6 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.246 -2.209 17536 1532 1 6 . 1 1 54 54 ARG H H 54 7.932 7.932 7.802 0.130 17536 1533 1 6 . 1 1 55 55 GLN N N 55 114.184 114.184 116.849 -2.665 17536 1534 1 6 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.163 -0.146 17536 1535 1 6 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.694 -1.003 17536 1536 1 6 . 1 1 55 55 GLN H H 55 7.869 7.869 7.233 0.636 17536 1537 1 6 . 1 1 56 56 GLY N N 56 109.634 109.634 108.816 0.818 17536 1538 1 6 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.773 0.231 17536 1539 1 6 . 1 1 56 56 GLY H H 56 7.935 7.935 7.782 0.153 17536 1540 1 6 . 1 1 57 57 VAL N N 57 112.345 112.345 120.802 -8.457 17536 1541 1 6 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.926 -1.711 17536 1542 1 6 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.389 -3.184 17536 1543 1 6 . 1 1 57 57 VAL H H 57 7.680 7.680 7.681 -0.001 17536 1544 1 6 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.158 -1.318 17536 1545 1 6 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.592 -1.445 17536 1546 1 6 . 1 1 59 59 MET N N 59 124.540 124.540 122.316 2.224 17536 1547 1 6 . 1 1 59 59 MET CA C 59 57.840 57.840 58.535 -0.695 17536 1548 1 6 . 1 1 59 59 MET CB C 59 31.677 31.677 32.381 -0.704 17536 1549 1 6 . 1 1 59 59 MET H H 59 8.991 8.991 8.656 0.335 17536 1550 1 6 . 1 1 60 60 ASN N N 60 113.019 113.019 114.511 -1.492 17536 1551 1 6 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.251 -1.646 17536 1552 1 6 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.794 -1.282 17536 1553 1 6 . 1 1 60 60 ASN H H 60 8.412 8.412 8.122 0.290 17536 1554 1 6 . 1 1 61 61 SER N N 61 113.126 113.126 115.953 -2.827 17536 1555 1 6 . 1 1 61 61 SER CA C 61 59.328 59.328 61.031 -1.703 17536 1556 1 6 . 1 1 61 61 SER CB C 61 64.220 64.220 63.515 0.705 17536 1557 1 6 . 1 1 61 61 SER H H 61 7.938 7.938 8.225 -0.287 17536 1558 1 6 . 1 1 62 62 LEU N N 62 120.885 120.885 116.261 4.624 17536 1559 1 6 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.822 -0.571 17536 1560 1 6 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.374 1.828 17536 1561 1 6 . 1 1 62 62 LEU H H 62 7.264 7.264 7.349 -0.085 17536 1562 1 6 . 1 1 63 63 ARG N N 63 120.159 120.159 118.142 2.017 17536 1563 1 6 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.681 -1.711 17536 1564 1 6 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.985 -0.940 17536 1565 1 6 . 1 1 63 63 ARG H H 63 9.050 9.050 7.853 1.197 17536 1566 1 6 . 1 1 64 64 PHE N N 64 122.440 122.440 122.887 -0.447 17536 1567 1 6 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.965 -0.099 17536 1568 1 6 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.495 -1.730 17536 1569 1 6 . 1 1 64 64 PHE H H 64 8.880 8.880 8.996 -0.116 17536 1570 1 6 . 1 1 65 65 LEU N N 65 124.383 124.383 118.553 5.830 17536 1571 1 6 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.720 -0.315 17536 1572 1 6 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.799 -0.594 17536 1573 1 6 . 1 1 65 65 LEU H H 65 9.773 9.773 9.072 0.701 17536 1574 1 6 . 1 1 66 66 PHE N N 66 119.605 119.605 120.043 -0.438 17536 1575 1 6 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.720 -0.941 17536 1576 1 6 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.059 -2.202 17536 1577 1 6 . 1 1 66 66 PHE H H 66 9.020 9.020 8.999 0.021 17536 1578 1 6 . 1 1 67 67 GLU N N 67 129.259 129.259 123.034 6.225 17536 1579 1 6 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.919 -0.597 17536 1580 1 6 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.036 -2.136 17536 1581 1 6 . 1 1 67 67 GLU H H 67 9.372 9.372 8.817 0.555 17536 1582 1 6 . 1 1 68 68 GLY N N 68 106.230 106.230 104.173 2.057 17536 1583 1 6 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.184 -0.369 17536 1584 1 6 . 1 1 68 68 GLY H H 68 8.852 8.852 8.585 0.267 17536 1585 1 6 . 1 1 69 69 GLN N N 69 120.665 120.665 121.281 -0.616 17536 1586 1 6 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.157 -1.650 17536 1587 1 6 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.655 0.120 17536 1588 1 6 . 1 1 69 69 GLN H H 69 8.012 8.012 7.785 0.227 17536 1589 1 6 . 1 1 70 70 ARG N N 70 124.728 124.728 122.233 2.495 17536 1590 1 6 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.666 -0.830 17536 1591 1 6 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.973 -1.596 17536 1592 1 6 . 1 1 70 70 ARG H H 70 8.798 8.798 8.552 0.246 17536 1593 1 6 . 1 1 71 71 ILE N N 71 126.508 126.508 121.403 5.105 17536 1594 1 6 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.541 0.480 17536 1595 1 6 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.676 -1.750 17536 1596 1 6 . 1 1 71 71 ILE H H 71 8.963 8.963 7.919 1.044 17536 1597 1 6 . 1 1 72 72 ALA N N 72 112.644 112.644 130.556 -17.912 17536 1598 1 6 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.264 -2.079 17536 1599 1 6 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.550 -1.988 17536 1600 1 6 . 1 1 72 72 ALA H H 72 10.898 10.898 9.045 1.853 17536 1601 1 6 . 1 1 73 73 ASP N N 73 120.048 120.048 119.088 0.960 17536 1602 1 6 . 1 1 73 73 ASP CA C 73 56.541 56.541 56.083 0.459 17536 1603 1 6 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.171 -1.692 17536 1604 1 6 . 1 1 73 73 ASP H H 73 8.703 8.703 8.778 -0.075 17536 1605 1 6 . 1 1 74 74 ASN N N 74 109.993 109.993 114.380 -4.387 17536 1606 1 6 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.780 -1.102 17536 1607 1 6 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.757 -2.075 17536 1608 1 6 . 1 1 74 74 ASN H H 74 7.816 7.816 7.921 -0.105 17536 1609 1 6 . 1 1 75 75 HIS N N 75 119.905 119.905 120.409 -0.504 17536 1610 1 6 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.362 -2.270 17536 1611 1 6 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.752 1.965 17536 1612 1 6 . 1 1 75 75 HIS H H 75 7.130 7.130 7.386 -0.256 17536 1613 1 6 . 1 1 76 76 THR N N 76 108.552 108.552 114.149 -5.597 17536 1614 1 6 . 1 1 76 76 THR CA C 76 57.324 57.324 61.697 -4.373 17536 1615 1 6 . 1 1 76 76 THR CB C 76 69.679 69.679 70.692 -1.013 17536 1616 1 6 . 1 1 76 76 THR H H 76 7.230 7.230 8.597 -1.367 17536 1617 1 6 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.207 0.065 17536 1618 1 6 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.677 -0.061 17536 1619 1 6 . 1 1 78 78 LYS N N 78 115.253 115.253 117.343 -2.090 17536 1620 1 6 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.843 -0.347 17536 1621 1 6 . 1 1 78 78 LYS CB C 78 31.646 31.646 32.051 -0.405 17536 1622 1 6 . 1 1 78 78 LYS H H 78 8.021 8.021 8.220 -0.199 17536 1623 1 6 . 1 1 79 79 GLU N N 79 120.837 120.837 116.577 4.260 17536 1624 1 6 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.350 1.034 17536 1625 1 6 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.853 -1.606 17536 1626 1 6 . 1 1 79 79 GLU H H 79 7.992 7.992 8.673 -0.681 17536 1627 1 6 . 1 1 80 80 LEU N N 80 115.222 115.222 118.830 -3.608 17536 1628 1 6 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.262 -1.222 17536 1629 1 6 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.734 -1.339 17536 1630 1 6 . 1 1 80 80 LEU H H 80 7.507 7.507 7.641 -0.134 17536 1631 1 6 . 1 1 81 81 GLY N N 81 108.030 108.030 107.452 0.578 17536 1632 1 6 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.957 -0.028 17536 1633 1 6 . 1 1 81 81 GLY H H 81 7.656 7.656 7.859 -0.203 17536 1634 1 6 . 1 1 82 82 MET N N 82 117.690 117.690 118.896 -1.206 17536 1635 1 6 . 1 1 82 82 MET CA C 82 56.371 56.371 56.202 0.169 17536 1636 1 6 . 1 1 82 82 MET CB C 82 33.507 33.507 32.309 1.198 17536 1637 1 6 . 1 1 82 82 MET H H 82 7.646 7.646 7.741 -0.095 17536 1638 1 6 . 1 1 83 83 GLU N N 83 121.031 121.031 125.086 -4.055 17536 1639 1 6 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.160 -2.681 17536 1640 1 6 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.921 1.835 17536 1641 1 6 . 1 1 83 83 GLU H H 83 9.316 9.316 8.341 0.975 17536 1642 1 6 . 1 1 84 84 GLU N N 84 119.223 119.223 118.876 0.347 17536 1643 1 6 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.584 1.275 17536 1644 1 6 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.104 -1.202 17536 1645 1 6 . 1 1 84 84 GLU H H 84 8.303 8.303 8.389 -0.086 17536 1646 1 6 . 1 1 85 85 GLU N N 85 118.921 118.921 118.013 0.908 17536 1647 1 6 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.785 1.250 17536 1648 1 6 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.120 -3.493 17536 1649 1 6 . 1 1 85 85 GLU H H 85 9.445 9.445 8.718 0.727 17536 1650 1 6 . 1 1 86 86 ASP N N 86 120.152 120.152 117.777 2.375 17536 1651 1 6 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.172 -0.743 17536 1652 1 6 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.685 -0.388 17536 1653 1 6 . 1 1 86 86 ASP H H 86 8.170 8.170 8.107 0.063 17536 1654 1 6 . 1 1 87 87 VAL N N 87 117.258 117.258 117.871 -0.613 17536 1655 1 6 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.192 -0.186 17536 1656 1 6 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.412 -1.253 17536 1657 1 6 . 1 1 87 87 VAL H H 87 8.189 8.189 8.352 -0.163 17536 1658 1 6 . 1 1 88 88 ILE N N 88 127.588 127.588 123.793 3.795 17536 1659 1 6 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.751 -0.543 17536 1660 1 6 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.065 -2.063 17536 1661 1 6 . 1 1 88 88 ILE H H 88 9.308 9.308 8.793 0.515 17536 1662 1 6 . 1 1 89 89 GLU N N 89 125.759 125.759 125.455 0.304 17536 1663 1 6 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.596 -0.068 17536 1664 1 6 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.781 -0.462 17536 1665 1 6 . 1 1 89 89 GLU H H 89 8.878 8.878 8.319 0.559 17536 1666 1 6 . 1 1 90 90 VAL N N 90 119.884 119.884 123.306 -3.422 17536 1667 1 6 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.443 -1.175 17536 1668 1 6 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.538 -0.463 17536 1669 1 6 . 1 1 90 90 VAL H H 90 7.842 7.842 7.673 0.169 17536 1670 1 6 . 1 1 91 91 TYR N N 91 124.563 124.563 124.166 0.397 17536 1671 1 6 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.524 -0.783 17536 1672 1 6 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.799 -0.156 17536 1673 1 6 . 1 1 91 91 TYR H H 91 8.575 8.575 9.015 -0.440 17536 1674 1 6 . 1 1 92 92 GLN N N 92 120.648 120.648 123.013 -2.365 17536 1675 1 6 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.370 -0.649 17536 1676 1 6 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.135 -0.779 17536 1677 1 6 . 1 1 92 92 GLN H H 92 8.745 8.745 8.598 0.147 17536 1678 1 6 . 1 1 93 93 GLU N N 93 124.997 124.997 127.760 -2.763 17536 1679 1 6 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.592 -1.001 17536 1680 1 6 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.782 -1.326 17536 1681 1 6 . 1 1 93 93 GLU H H 93 8.435 8.435 8.784 -0.349 17536 1682 1 6 . 1 1 94 94 GLN N N 94 122.830 122.830 123.165 -0.335 17536 1683 1 6 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.022 0.341 17536 1684 1 6 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.994 -2.385 17536 1685 1 6 . 1 1 94 94 GLN H H 94 8.752 8.752 8.187 0.565 17536 1686 1 6 . 1 1 95 95 THR N N 95 116.050 116.050 111.769 4.281 17536 1687 1 6 . 1 1 95 95 THR CA C 95 61.600 61.600 60.711 0.889 17536 1688 1 6 . 1 1 95 95 THR CB C 95 69.218 69.218 70.233 -1.015 17536 1689 1 6 . 1 1 95 95 THR H H 95 8.370 8.370 8.164 0.206 17536 1690 1 6 . 1 1 96 96 GLY N N 96 111.777 111.777 108.755 3.022 17536 1691 1 6 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.740 -0.021 17536 1692 1 6 . 1 1 96 96 GLY H H 96 8.471 8.471 8.375 0.096 17536 1693 1 7 . 1 1 21 21 TYR N N 21 118.396 118.396 120.636 -2.240 17536 1694 1 7 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.602 -0.455 17536 1695 1 7 . 1 1 21 21 TYR CB C 21 40.823 40.823 38.780 2.043 17536 1696 1 7 . 1 1 21 21 TYR H H 21 8.286 8.286 8.095 0.191 17536 1697 1 7 . 1 1 22 22 ILE N N 22 116.826 116.826 120.534 -3.708 17536 1698 1 7 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.792 -0.593 17536 1699 1 7 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.694 1.031 17536 1700 1 7 . 1 1 22 22 ILE H H 22 9.062 9.062 8.163 0.899 17536 1701 1 7 . 1 1 23 23 LYS N N 23 125.020 125.020 126.832 -1.812 17536 1702 1 7 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.291 -1.230 17536 1703 1 7 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.268 0.326 17536 1704 1 7 . 1 1 23 23 LYS H H 23 8.626 8.626 8.518 0.108 17536 1705 1 7 . 1 1 24 24 LEU N N 24 125.519 125.519 128.191 -2.672 17536 1706 1 7 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.740 -1.597 17536 1707 1 7 . 1 1 24 24 LEU CB C 24 33.273 33.273 42.346 -9.073 17536 1708 1 7 . 1 1 24 24 LEU H H 24 9.235 9.235 8.245 0.990 17536 1709 1 7 . 1 1 25 25 LYS N N 25 120.608 120.608 126.024 -5.416 17536 1710 1 7 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.732 -1.754 17536 1711 1 7 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.290 0.768 17536 1712 1 7 . 1 1 25 25 LYS H H 25 8.769 8.769 8.142 0.627 17536 1713 1 7 . 1 1 26 26 VAL N N 26 124.031 124.031 126.712 -2.681 17536 1714 1 7 . 1 1 26 26 VAL CA C 26 61.238 61.238 61.161 0.077 17536 1715 1 7 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.846 0.174 17536 1716 1 7 . 1 1 26 26 VAL H H 26 9.330 9.330 7.885 1.445 17536 1717 1 7 . 1 1 27 27 ILE N N 27 128.203 128.203 128.713 -0.510 17536 1718 1 7 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.482 -0.734 17536 1719 1 7 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.593 1.056 17536 1720 1 7 . 1 1 27 27 ILE H H 27 8.996 8.996 7.623 1.373 17536 1721 1 7 . 1 1 28 28 GLY N N 28 113.380 113.380 114.095 -0.715 17536 1722 1 7 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.173 -0.647 17536 1723 1 7 . 1 1 28 28 GLY H H 28 8.520 8.520 8.259 0.261 17536 1724 1 7 . 1 1 29 29 GLN N N 29 120.798 120.798 118.409 2.389 17536 1725 1 7 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.642 1.471 17536 1726 1 7 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.064 -0.341 17536 1727 1 7 . 1 1 29 29 GLN H H 29 8.683 8.683 8.584 0.099 17536 1728 1 7 . 1 1 30 30 ASP N N 30 118.553 118.553 118.420 0.133 17536 1729 1 7 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.817 -0.928 17536 1730 1 7 . 1 1 30 30 ASP CB C 30 39.011 39.011 40.059 -1.048 17536 1731 1 7 . 1 1 30 30 ASP H H 30 8.427 8.427 7.800 0.627 17536 1732 1 7 . 1 1 31 31 SER N N 31 111.431 111.431 114.499 -3.068 17536 1733 1 7 . 1 1 31 31 SER CA C 31 60.317 60.317 59.644 0.673 17536 1734 1 7 . 1 1 31 31 SER CB C 31 61.567 61.567 63.181 -1.615 17536 1735 1 7 . 1 1 31 31 SER H H 31 7.998 7.998 8.607 -0.609 17536 1736 1 7 . 1 1 32 32 SER N N 32 117.290 117.290 117.648 -0.358 17536 1737 1 7 . 1 1 32 32 SER CA C 32 58.422 58.422 57.979 0.443 17536 1738 1 7 . 1 1 32 32 SER CB C 32 63.318 63.318 63.384 -0.066 17536 1739 1 7 . 1 1 32 32 SER H H 32 7.981 7.981 7.859 0.122 17536 1740 1 7 . 1 1 33 33 GLU N N 33 121.975 121.975 129.683 -7.708 17536 1741 1 7 . 1 1 33 33 GLU CA C 33 55.679 55.679 55.111 0.568 17536 1742 1 7 . 1 1 33 33 GLU CB C 33 37.874 37.874 31.781 6.093 17536 1743 1 7 . 1 1 33 33 GLU H H 33 8.661 8.661 8.234 0.427 17536 1744 1 7 . 1 1 34 34 ILE N N 34 124.052 124.052 126.364 -2.312 17536 1745 1 7 . 1 1 34 34 ILE H H 34 8.912 8.912 8.332 0.580 17536 1746 1 7 . 1 1 35 35 HIS N N 35 126.451 126.451 125.358 1.093 17536 1747 1 7 . 1 1 35 35 HIS CB C 35 33.257 33.257 31.144 2.113 17536 1748 1 7 . 1 1 35 35 HIS H H 35 9.311 9.311 8.632 0.679 17536 1749 1 7 . 1 1 36 36 PHE N N 36 121.806 121.806 123.062 -1.256 17536 1750 1 7 . 1 1 36 36 PHE H H 36 9.521 9.521 8.388 1.133 17536 1751 1 7 . 1 1 37 37 LYS N N 37 121.707 121.707 123.044 -1.337 17536 1752 1 7 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.196 0.519 17536 1753 1 7 . 1 1 37 37 LYS CB C 37 33.375 33.375 34.406 -1.031 17536 1754 1 7 . 1 1 37 37 LYS H H 37 9.572 9.572 8.415 1.157 17536 1755 1 7 . 1 1 38 38 VAL N N 38 120.042 120.042 124.272 -4.230 17536 1756 1 7 . 1 1 38 38 VAL CA C 38 58.634 58.634 59.832 -1.198 17536 1757 1 7 . 1 1 38 38 VAL CB C 38 34.833 34.833 35.267 -0.434 17536 1758 1 7 . 1 1 38 38 VAL H H 38 9.127 9.127 8.184 0.943 17536 1759 1 7 . 1 1 39 39 LYS N N 39 123.275 123.275 124.804 -1.529 17536 1760 1 7 . 1 1 39 39 LYS CA C 39 56.199 56.199 55.541 0.659 17536 1761 1 7 . 1 1 39 39 LYS CB C 39 31.498 31.498 32.827 -1.329 17536 1762 1 7 . 1 1 39 39 LYS H H 39 8.112 8.112 8.790 -0.678 17536 1763 1 7 . 1 1 40 40 MET N N 40 119.217 119.217 121.523 -2.306 17536 1764 1 7 . 1 1 40 40 MET CA C 40 56.982 56.982 57.311 -0.329 17536 1765 1 7 . 1 1 40 40 MET CB C 40 30.542 30.542 32.450 -1.907 17536 1766 1 7 . 1 1 40 40 MET H H 40 8.436 8.436 8.747 -0.311 17536 1767 1 7 . 1 1 41 41 THR N N 41 126.854 126.854 113.828 13.026 17536 1768 1 7 . 1 1 41 41 THR CA C 41 59.606 59.606 62.824 -3.218 17536 1769 1 7 . 1 1 41 41 THR CB C 41 68.156 68.156 69.200 -1.044 17536 1770 1 7 . 1 1 41 41 THR H H 41 6.958 6.958 8.043 -1.085 17536 1771 1 7 . 1 1 42 42 THR N N 42 122.773 122.773 115.603 7.170 17536 1772 1 7 . 1 1 42 42 THR CB C 42 69.362 69.362 69.945 -0.583 17536 1773 1 7 . 1 1 42 42 THR H H 42 7.452 7.452 7.504 -0.052 17536 1774 1 7 . 1 1 43 43 HIS N N 43 124.643 124.643 119.443 5.200 17536 1775 1 7 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.122 -0.404 17536 1776 1 7 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.671 -1.599 17536 1777 1 7 . 1 1 43 43 HIS H H 43 8.544 8.544 8.036 0.508 17536 1778 1 7 . 1 1 44 44 LEU N N 44 124.399 124.399 121.361 3.038 17536 1779 1 7 . 1 1 44 44 LEU CA C 44 57.612 57.612 55.782 1.830 17536 1780 1 7 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.312 -1.584 17536 1781 1 7 . 1 1 44 44 LEU H H 44 9.406 9.406 8.304 1.102 17536 1782 1 7 . 1 1 45 45 LYS N N 45 122.482 122.482 120.094 2.388 17536 1783 1 7 . 1 1 45 45 LYS H H 45 8.871 8.871 8.455 0.416 17536 1784 1 7 . 1 1 46 46 LYS N N 46 114.179 114.179 118.475 -4.296 17536 1785 1 7 . 1 1 46 46 LYS H H 46 8.202 8.202 7.545 0.657 17536 1786 1 7 . 1 1 47 47 LEU N N 47 120.590 120.590 121.784 -1.194 17536 1787 1 7 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.133 -0.357 17536 1788 1 7 . 1 1 47 47 LEU CB C 47 41.521 41.521 42.006 -0.485 17536 1789 1 7 . 1 1 47 47 LEU H H 47 6.773 6.773 7.849 -1.076 17536 1790 1 7 . 1 1 48 48 LYS N N 48 118.663 118.663 119.126 -0.463 17536 1791 1 7 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.620 -0.361 17536 1792 1 7 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.202 -1.081 17536 1793 1 7 . 1 1 48 48 LYS H H 48 7.643 7.643 7.644 -0.001 17536 1794 1 7 . 1 1 49 49 GLU N N 49 117.638 117.638 119.341 -1.703 17536 1795 1 7 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.886 -0.776 17536 1796 1 7 . 1 1 49 49 GLU H H 49 8.573 8.573 7.922 0.651 17536 1797 1 7 . 1 1 50 50 SER N N 50 114.362 114.362 115.851 -1.489 17536 1798 1 7 . 1 1 50 50 SER H H 50 7.402 7.402 8.062 -0.660 17536 1799 1 7 . 1 1 51 51 TYR N N 51 120.627 120.627 123.787 -3.160 17536 1800 1 7 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.044 1.970 17536 1801 1 7 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.698 -0.935 17536 1802 1 7 . 1 1 51 51 TYR H H 51 8.770 8.770 7.978 0.792 17536 1803 1 7 . 1 1 52 52 CYS N N 52 117.068 117.068 117.654 -0.586 17536 1804 1 7 . 1 1 52 52 CYS CA C 52 64.636 64.636 63.483 1.153 17536 1805 1 7 . 1 1 52 52 CYS CB C 52 25.452 25.452 27.314 -1.862 17536 1806 1 7 . 1 1 52 52 CYS H H 52 8.814 8.814 7.925 0.889 17536 1807 1 7 . 1 1 53 53 GLN N N 53 119.373 119.373 119.616 -0.243 17536 1808 1 7 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.144 0.242 17536 1809 1 7 . 1 1 53 53 GLN CB C 53 27.352 27.352 27.947 -0.595 17536 1810 1 7 . 1 1 53 53 GLN H H 53 8.357 8.357 7.983 0.374 17536 1811 1 7 . 1 1 54 54 ARG N N 54 120.169 120.169 118.597 1.572 17536 1812 1 7 . 1 1 54 54 ARG CA C 54 57.131 57.131 57.517 -0.386 17536 1813 1 7 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.401 -2.364 17536 1814 1 7 . 1 1 54 54 ARG H H 54 7.932 7.932 7.667 0.265 17536 1815 1 7 . 1 1 55 55 GLN N N 55 114.184 114.184 117.168 -2.984 17536 1816 1 7 . 1 1 55 55 GLN CA C 55 55.016 55.016 54.902 0.114 17536 1817 1 7 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.388 -0.697 17536 1818 1 7 . 1 1 55 55 GLN H H 55 7.869 7.869 7.676 0.193 17536 1819 1 7 . 1 1 56 56 GLY N N 56 109.634 109.634 108.308 1.326 17536 1820 1 7 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.595 0.409 17536 1821 1 7 . 1 1 56 56 GLY H H 56 7.935 7.935 7.713 0.222 17536 1822 1 7 . 1 1 57 57 VAL N N 57 112.345 112.345 120.727 -8.382 17536 1823 1 7 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.876 -1.661 17536 1824 1 7 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.344 -3.139 17536 1825 1 7 . 1 1 57 57 VAL H H 57 7.680 7.680 7.683 -0.003 17536 1826 1 7 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.159 -1.319 17536 1827 1 7 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.570 -1.423 17536 1828 1 7 . 1 1 59 59 MET N N 59 124.540 124.540 122.316 2.224 17536 1829 1 7 . 1 1 59 59 MET CA C 59 57.840 57.840 58.657 -0.817 17536 1830 1 7 . 1 1 59 59 MET CB C 59 31.677 31.677 32.423 -0.746 17536 1831 1 7 . 1 1 59 59 MET H H 59 8.991 8.991 8.649 0.342 17536 1832 1 7 . 1 1 60 60 ASN N N 60 113.019 113.019 114.396 -1.377 17536 1833 1 7 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.373 -1.768 17536 1834 1 7 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.694 -1.182 17536 1835 1 7 . 1 1 60 60 ASN H H 60 8.412 8.412 8.161 0.251 17536 1836 1 7 . 1 1 61 61 SER N N 61 113.126 113.126 115.939 -2.813 17536 1837 1 7 . 1 1 61 61 SER CA C 61 59.328 59.328 61.022 -1.694 17536 1838 1 7 . 1 1 61 61 SER CB C 61 64.220 64.220 63.495 0.725 17536 1839 1 7 . 1 1 61 61 SER H H 61 7.938 7.938 8.217 -0.279 17536 1840 1 7 . 1 1 62 62 LEU N N 62 120.885 120.885 116.256 4.629 17536 1841 1 7 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.821 -0.570 17536 1842 1 7 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.369 1.833 17536 1843 1 7 . 1 1 62 62 LEU H H 62 7.264 7.264 7.339 -0.075 17536 1844 1 7 . 1 1 63 63 ARG N N 63 120.159 120.159 118.159 2.000 17536 1845 1 7 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.706 -1.736 17536 1846 1 7 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.995 -0.951 17536 1847 1 7 . 1 1 63 63 ARG H H 63 9.050 9.050 7.877 1.173 17536 1848 1 7 . 1 1 64 64 PHE N N 64 122.440 122.440 122.930 -0.490 17536 1849 1 7 . 1 1 64 64 PHE CA C 64 55.866 55.866 56.009 -0.143 17536 1850 1 7 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.559 -1.794 17536 1851 1 7 . 1 1 64 64 PHE H H 64 8.880 8.880 9.031 -0.151 17536 1852 1 7 . 1 1 65 65 LEU N N 65 124.383 124.383 118.575 5.808 17536 1853 1 7 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.742 -0.337 17536 1854 1 7 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.813 -0.608 17536 1855 1 7 . 1 1 65 65 LEU H H 65 9.773 9.773 9.106 0.667 17536 1856 1 7 . 1 1 66 66 PHE N N 66 119.605 119.605 120.070 -0.465 17536 1857 1 7 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.724 -0.945 17536 1858 1 7 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.074 -2.217 17536 1859 1 7 . 1 1 66 66 PHE H H 66 9.020 9.020 9.011 0.009 17536 1860 1 7 . 1 1 67 67 GLU N N 67 129.259 129.259 123.037 6.222 17536 1861 1 7 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.921 -0.599 17536 1862 1 7 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.037 -2.137 17536 1863 1 7 . 1 1 67 67 GLU H H 67 9.372 9.372 8.818 0.554 17536 1864 1 7 . 1 1 68 68 GLY N N 68 106.230 106.230 104.175 2.055 17536 1865 1 7 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.187 -0.372 17536 1866 1 7 . 1 1 68 68 GLY H H 68 8.852 8.852 8.588 0.264 17536 1867 1 7 . 1 1 69 69 GLN N N 69 120.665 120.665 121.285 -0.620 17536 1868 1 7 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.164 -1.657 17536 1869 1 7 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.659 0.116 17536 1870 1 7 . 1 1 69 69 GLN H H 69 8.012 8.012 7.789 0.223 17536 1871 1 7 . 1 1 70 70 ARG N N 70 124.728 124.728 122.244 2.484 17536 1872 1 7 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.678 -0.842 17536 1873 1 7 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.981 -1.604 17536 1874 1 7 . 1 1 70 70 ARG H H 70 8.798 8.798 8.558 0.240 17536 1875 1 7 . 1 1 71 71 ILE N N 71 126.508 126.508 121.418 5.090 17536 1876 1 7 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.557 0.465 17536 1877 1 7 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.702 -1.776 17536 1878 1 7 . 1 1 71 71 ILE H H 71 8.963 8.963 7.935 1.028 17536 1879 1 7 . 1 1 72 72 ALA N N 72 112.644 112.644 130.562 -17.918 17536 1880 1 7 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.263 -2.079 17536 1881 1 7 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.545 -1.983 17536 1882 1 7 . 1 1 72 72 ALA H H 72 10.898 10.898 9.052 1.846 17536 1883 1 7 . 1 1 73 73 ASP N N 73 120.048 120.048 119.363 0.685 17536 1884 1 7 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.912 0.629 17536 1885 1 7 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.159 -1.680 17536 1886 1 7 . 1 1 73 73 ASP H H 73 8.703 8.703 8.688 0.015 17536 1887 1 7 . 1 1 74 74 ASN N N 74 109.993 109.993 112.864 -2.871 17536 1888 1 7 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.651 -0.973 17536 1889 1 7 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.776 -2.094 17536 1890 1 7 . 1 1 74 74 ASN H H 74 7.816 7.816 7.917 -0.101 17536 1891 1 7 . 1 1 75 75 HIS N N 75 119.905 119.905 120.522 -0.617 17536 1892 1 7 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.372 -2.280 17536 1893 1 7 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.741 1.976 17536 1894 1 7 . 1 1 75 75 HIS H H 75 7.130 7.130 7.315 -0.185 17536 1895 1 7 . 1 1 76 76 THR N N 76 108.552 108.552 113.848 -5.296 17536 1896 1 7 . 1 1 76 76 THR CA C 76 57.324 57.324 61.593 -4.269 17536 1897 1 7 . 1 1 76 76 THR CB C 76 69.679 69.679 70.555 -0.876 17536 1898 1 7 . 1 1 76 76 THR H H 76 7.230 7.230 8.606 -1.376 17536 1899 1 7 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.234 0.038 17536 1900 1 7 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.702 -0.086 17536 1901 1 7 . 1 1 78 78 LYS N N 78 115.253 115.253 116.841 -1.588 17536 1902 1 7 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.867 -0.372 17536 1903 1 7 . 1 1 78 78 LYS CB C 78 31.646 31.646 31.840 -0.194 17536 1904 1 7 . 1 1 78 78 LYS H H 78 8.021 8.021 8.312 -0.291 17536 1905 1 7 . 1 1 79 79 GLU N N 79 120.837 120.837 116.581 4.256 17536 1906 1 7 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.359 1.025 17536 1907 1 7 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.865 -1.618 17536 1908 1 7 . 1 1 79 79 GLU H H 79 7.992 7.992 8.693 -0.701 17536 1909 1 7 . 1 1 80 80 LEU N N 80 115.222 115.222 118.838 -3.616 17536 1910 1 7 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.272 -1.232 17536 1911 1 7 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.746 -1.351 17536 1912 1 7 . 1 1 80 80 LEU H H 80 7.507 7.507 7.656 -0.149 17536 1913 1 7 . 1 1 81 81 GLY N N 81 108.030 108.030 107.452 0.578 17536 1914 1 7 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.966 -0.037 17536 1915 1 7 . 1 1 81 81 GLY H H 81 7.656 7.656 7.871 -0.215 17536 1916 1 7 . 1 1 82 82 MET N N 82 117.690 117.690 118.898 -1.208 17536 1917 1 7 . 1 1 82 82 MET CA C 82 56.371 56.371 56.225 0.145 17536 1918 1 7 . 1 1 82 82 MET CB C 82 33.507 33.507 32.324 1.183 17536 1919 1 7 . 1 1 82 82 MET H H 82 7.646 7.646 7.753 -0.107 17536 1920 1 7 . 1 1 83 83 GLU N N 83 121.031 121.031 125.051 -4.020 17536 1921 1 7 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.703 -3.224 17536 1922 1 7 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.854 1.902 17536 1923 1 7 . 1 1 83 83 GLU H H 83 9.316 9.316 8.228 1.088 17536 1924 1 7 . 1 1 84 84 GLU N N 84 119.223 119.223 118.729 0.494 17536 1925 1 7 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.607 1.252 17536 1926 1 7 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.095 -1.193 17536 1927 1 7 . 1 1 84 84 GLU H H 84 8.303 8.303 8.378 -0.075 17536 1928 1 7 . 1 1 85 85 GLU N N 85 118.921 118.921 117.613 1.308 17536 1929 1 7 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.854 1.181 17536 1930 1 7 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.046 -3.419 17536 1931 1 7 . 1 1 85 85 GLU H H 85 9.445 9.445 8.810 0.635 17536 1932 1 7 . 1 1 86 86 ASP N N 86 120.152 120.152 117.762 2.390 17536 1933 1 7 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.168 -0.739 17536 1934 1 7 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.676 -0.379 17536 1935 1 7 . 1 1 86 86 ASP H H 86 8.170 8.170 8.088 0.082 17536 1936 1 7 . 1 1 87 87 VAL N N 87 117.258 117.258 117.968 -0.710 17536 1937 1 7 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.238 -0.232 17536 1938 1 7 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.243 -1.084 17536 1939 1 7 . 1 1 87 87 VAL H H 87 8.189 8.189 8.276 -0.087 17536 1940 1 7 . 1 1 88 88 ILE N N 88 127.588 127.588 123.798 3.790 17536 1941 1 7 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.763 -0.555 17536 1942 1 7 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.035 -2.033 17536 1943 1 7 . 1 1 88 88 ILE H H 88 9.308 9.308 8.470 0.838 17536 1944 1 7 . 1 1 89 89 GLU N N 89 125.759 125.759 125.241 0.518 17536 1945 1 7 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.814 -0.286 17536 1946 1 7 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.771 -0.452 17536 1947 1 7 . 1 1 89 89 GLU H H 89 8.878 8.878 8.302 0.576 17536 1948 1 7 . 1 1 90 90 VAL N N 90 119.884 119.884 123.408 -3.524 17536 1949 1 7 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.551 -1.283 17536 1950 1 7 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.551 -0.476 17536 1951 1 7 . 1 1 90 90 VAL H H 90 7.842 7.842 7.970 -0.128 17536 1952 1 7 . 1 1 91 91 TYR N N 91 124.563 124.563 124.060 0.503 17536 1953 1 7 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.506 -0.765 17536 1954 1 7 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.780 -0.137 17536 1955 1 7 . 1 1 91 91 TYR H H 91 8.575 8.575 9.012 -0.437 17536 1956 1 7 . 1 1 92 92 GLN N N 92 120.648 120.648 123.012 -2.364 17536 1957 1 7 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.364 -0.642 17536 1958 1 7 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.135 -0.779 17536 1959 1 7 . 1 1 92 92 GLN H H 92 8.745 8.745 8.600 0.145 17536 1960 1 7 . 1 1 93 93 GLU N N 93 124.997 124.997 127.759 -2.762 17536 1961 1 7 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.601 -1.010 17536 1962 1 7 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.779 -1.323 17536 1963 1 7 . 1 1 93 93 GLU H H 93 8.435 8.435 8.782 -0.347 17536 1964 1 7 . 1 1 94 94 GLN N N 94 122.830 122.830 123.164 -0.334 17536 1965 1 7 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.022 0.340 17536 1966 1 7 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.995 -2.386 17536 1967 1 7 . 1 1 94 94 GLN H H 94 8.752 8.752 8.188 0.564 17536 1968 1 7 . 1 1 95 95 THR N N 95 116.050 116.050 111.774 4.276 17536 1969 1 7 . 1 1 95 95 THR CA C 95 61.600 61.600 60.709 0.891 17536 1970 1 7 . 1 1 95 95 THR CB C 95 69.218 69.218 70.234 -1.016 17536 1971 1 7 . 1 1 95 95 THR H H 95 8.370 8.370 8.164 0.206 17536 1972 1 7 . 1 1 96 96 GLY N N 96 111.777 111.777 108.747 3.030 17536 1973 1 7 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.738 -0.019 17536 1974 1 7 . 1 1 96 96 GLY H H 96 8.471 8.471 8.375 0.096 17536 1975 1 8 . 1 1 21 21 TYR N N 21 118.396 118.396 120.118 -1.722 17536 1976 1 8 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.030 0.117 17536 1977 1 8 . 1 1 21 21 TYR CB C 21 40.823 40.823 40.720 0.103 17536 1978 1 8 . 1 1 21 21 TYR H H 21 8.286 8.286 7.955 0.331 17536 1979 1 8 . 1 1 22 22 ILE N N 22 116.826 116.826 117.961 -1.135 17536 1980 1 8 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.150 0.049 17536 1981 1 8 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.956 0.768 17536 1982 1 8 . 1 1 22 22 ILE H H 22 9.062 9.062 8.562 0.500 17536 1983 1 8 . 1 1 23 23 LYS N N 23 125.020 125.020 124.885 0.135 17536 1984 1 8 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.227 -1.166 17536 1985 1 8 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.631 -0.037 17536 1986 1 8 . 1 1 23 23 LYS H H 23 8.626 8.626 8.480 0.146 17536 1987 1 8 . 1 1 24 24 LEU N N 24 125.519 125.519 127.529 -2.010 17536 1988 1 8 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.601 -1.458 17536 1989 1 8 . 1 1 24 24 LEU CB C 24 33.273 33.273 43.212 -9.939 17536 1990 1 8 . 1 1 24 24 LEU H H 24 9.235 9.235 8.533 0.702 17536 1991 1 8 . 1 1 25 25 LYS N N 25 120.608 120.608 126.229 -5.621 17536 1992 1 8 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.443 -1.465 17536 1993 1 8 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.250 0.808 17536 1994 1 8 . 1 1 25 25 LYS H H 25 8.769 8.769 8.489 0.280 17536 1995 1 8 . 1 1 26 26 VAL N N 26 124.031 124.031 126.669 -2.638 17536 1996 1 8 . 1 1 26 26 VAL CA C 26 61.238 61.238 62.304 -1.066 17536 1997 1 8 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.252 0.768 17536 1998 1 8 . 1 1 26 26 VAL H H 26 9.330 9.330 8.023 1.307 17536 1999 1 8 . 1 1 27 27 ILE N N 27 128.203 128.203 128.708 -0.505 17536 2000 1 8 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.505 -0.757 17536 2001 1 8 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.665 0.984 17536 2002 1 8 . 1 1 27 27 ILE H H 27 8.996 8.996 8.459 0.537 17536 2003 1 8 . 1 1 28 28 GLY N N 28 113.380 113.380 114.282 -0.902 17536 2004 1 8 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.205 -0.679 17536 2005 1 8 . 1 1 28 28 GLY H H 28 8.520 8.520 8.345 0.175 17536 2006 1 8 . 1 1 29 29 GLN N N 29 120.798 120.798 118.383 2.415 17536 2007 1 8 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.556 1.557 17536 2008 1 8 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.001 -0.278 17536 2009 1 8 . 1 1 29 29 GLN H H 29 8.683 8.683 8.585 0.098 17536 2010 1 8 . 1 1 30 30 ASP N N 30 118.553 118.553 118.401 0.152 17536 2011 1 8 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.795 -0.906 17536 2012 1 8 . 1 1 30 30 ASP CB C 30 39.011 39.011 40.024 -1.013 17536 2013 1 8 . 1 1 30 30 ASP H H 30 8.427 8.427 7.788 0.639 17536 2014 1 8 . 1 1 31 31 SER N N 31 111.431 111.431 114.459 -3.028 17536 2015 1 8 . 1 1 31 31 SER CA C 31 60.317 60.317 59.638 0.679 17536 2016 1 8 . 1 1 31 31 SER CB C 31 61.567 61.567 63.181 -1.614 17536 2017 1 8 . 1 1 31 31 SER H H 31 7.998 7.998 8.600 -0.602 17536 2018 1 8 . 1 1 32 32 SER N N 32 117.290 117.290 117.583 -0.293 17536 2019 1 8 . 1 1 32 32 SER CA C 32 58.422 58.422 57.958 0.464 17536 2020 1 8 . 1 1 32 32 SER CB C 32 63.318 63.318 63.485 -0.167 17536 2021 1 8 . 1 1 32 32 SER H H 32 7.981 7.981 7.875 0.106 17536 2022 1 8 . 1 1 33 33 GLU N N 33 121.975 121.975 128.533 -6.558 17536 2023 1 8 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.847 0.832 17536 2024 1 8 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.254 5.620 17536 2025 1 8 . 1 1 33 33 GLU H H 33 8.661 8.661 8.364 0.297 17536 2026 1 8 . 1 1 34 34 ILE N N 34 124.052 124.052 123.880 0.172 17536 2027 1 8 . 1 1 34 34 ILE H H 34 8.912 8.912 8.366 0.546 17536 2028 1 8 . 1 1 35 35 HIS N N 35 126.451 126.451 123.975 2.476 17536 2029 1 8 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.894 2.363 17536 2030 1 8 . 1 1 35 35 HIS H H 35 9.311 9.311 8.499 0.812 17536 2031 1 8 . 1 1 36 36 PHE N N 36 121.806 121.806 125.305 -3.499 17536 2032 1 8 . 1 1 36 36 PHE H H 36 9.521 9.521 8.674 0.847 17536 2033 1 8 . 1 1 37 37 LYS N N 37 121.707 121.707 126.399 -4.692 17536 2034 1 8 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.244 0.471 17536 2035 1 8 . 1 1 37 37 LYS CB C 37 33.375 33.375 33.675 -0.300 17536 2036 1 8 . 1 1 37 37 LYS H H 37 9.572 9.572 8.616 0.956 17536 2037 1 8 . 1 1 38 38 VAL N N 38 120.042 120.042 124.807 -4.765 17536 2038 1 8 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.207 -1.573 17536 2039 1 8 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.245 0.588 17536 2040 1 8 . 1 1 38 38 VAL H H 38 9.127 9.127 8.006 1.121 17536 2041 1 8 . 1 1 39 39 LYS N N 39 123.275 123.275 124.561 -1.286 17536 2042 1 8 . 1 1 39 39 LYS CA C 39 56.199 56.199 55.949 0.250 17536 2043 1 8 . 1 1 39 39 LYS CB C 39 31.498 31.498 33.223 -1.725 17536 2044 1 8 . 1 1 39 39 LYS H H 39 8.112 8.112 8.507 -0.395 17536 2045 1 8 . 1 1 40 40 MET N N 40 119.217 119.217 121.324 -2.107 17536 2046 1 8 . 1 1 40 40 MET CA C 40 56.982 56.982 57.295 -0.314 17536 2047 1 8 . 1 1 40 40 MET CB C 40 30.542 30.542 32.250 -1.708 17536 2048 1 8 . 1 1 40 40 MET H H 40 8.436 8.436 8.509 -0.073 17536 2049 1 8 . 1 1 41 41 THR N N 41 126.854 126.854 109.734 17.120 17536 2050 1 8 . 1 1 41 41 THR CA C 41 59.606 59.606 61.273 -1.667 17536 2051 1 8 . 1 1 41 41 THR CB C 41 68.156 68.156 69.283 -1.127 17536 2052 1 8 . 1 1 41 41 THR H H 41 6.958 6.958 7.873 -0.915 17536 2053 1 8 . 1 1 42 42 THR N N 42 122.773 122.773 117.836 4.937 17536 2054 1 8 . 1 1 42 42 THR CB C 42 69.362 69.362 71.320 -1.958 17536 2055 1 8 . 1 1 42 42 THR H H 42 7.452 7.452 7.290 0.162 17536 2056 1 8 . 1 1 43 43 HIS N N 43 124.643 124.643 118.953 5.690 17536 2057 1 8 . 1 1 43 43 HIS CA C 43 55.718 55.718 55.946 -0.228 17536 2058 1 8 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.794 -1.722 17536 2059 1 8 . 1 1 43 43 HIS H H 43 8.544 8.544 8.334 0.210 17536 2060 1 8 . 1 1 44 44 LEU N N 44 124.399 124.399 120.667 3.732 17536 2061 1 8 . 1 1 44 44 LEU CA C 44 57.612 57.612 56.215 1.397 17536 2062 1 8 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.361 -1.633 17536 2063 1 8 . 1 1 44 44 LEU H H 44 9.406 9.406 8.463 0.943 17536 2064 1 8 . 1 1 45 45 LYS N N 45 122.482 122.482 120.073 2.409 17536 2065 1 8 . 1 1 45 45 LYS H H 45 8.871 8.871 8.462 0.409 17536 2066 1 8 . 1 1 46 46 LYS N N 46 114.179 114.179 118.554 -4.375 17536 2067 1 8 . 1 1 46 46 LYS H H 46 8.202 8.202 7.564 0.638 17536 2068 1 8 . 1 1 47 47 LEU N N 47 120.590 120.590 121.009 -0.419 17536 2069 1 8 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.351 -0.575 17536 2070 1 8 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.937 -0.416 17536 2071 1 8 . 1 1 47 47 LEU H H 47 6.773 6.773 7.659 -0.886 17536 2072 1 8 . 1 1 48 48 LYS N N 48 118.663 118.663 119.223 -0.560 17536 2073 1 8 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.625 -0.367 17536 2074 1 8 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.147 -1.026 17536 2075 1 8 . 1 1 48 48 LYS H H 48 7.643 7.643 7.669 -0.026 17536 2076 1 8 . 1 1 49 49 GLU N N 49 117.638 117.638 119.655 -2.017 17536 2077 1 8 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.723 -0.613 17536 2078 1 8 . 1 1 49 49 GLU H H 49 8.573 8.573 7.999 0.574 17536 2079 1 8 . 1 1 50 50 SER N N 50 114.362 114.362 116.562 -2.200 17536 2080 1 8 . 1 1 50 50 SER H H 50 7.402 7.402 8.178 -0.776 17536 2081 1 8 . 1 1 51 51 TYR N N 51 120.627 120.627 122.586 -1.959 17536 2082 1 8 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.269 1.745 17536 2083 1 8 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.880 -1.117 17536 2084 1 8 . 1 1 51 51 TYR H H 51 8.770 8.770 8.054 0.716 17536 2085 1 8 . 1 1 52 52 CYS N N 52 117.068 117.068 116.161 0.907 17536 2086 1 8 . 1 1 52 52 CYS CA C 52 64.636 64.636 62.874 1.762 17536 2087 1 8 . 1 1 52 52 CYS CB C 52 25.452 25.452 28.228 -2.776 17536 2088 1 8 . 1 1 52 52 CYS H H 52 8.814 8.814 7.932 0.882 17536 2089 1 8 . 1 1 53 53 GLN N N 53 119.373 119.373 119.408 -0.035 17536 2090 1 8 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.021 0.365 17536 2091 1 8 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.047 -0.695 17536 2092 1 8 . 1 1 53 53 GLN H H 53 8.357 8.357 8.031 0.326 17536 2093 1 8 . 1 1 54 54 ARG N N 54 120.169 120.169 118.521 1.648 17536 2094 1 8 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.256 0.875 17536 2095 1 8 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.221 -2.184 17536 2096 1 8 . 1 1 54 54 ARG H H 54 7.932 7.932 7.805 0.127 17536 2097 1 8 . 1 1 55 55 GLN N N 55 114.184 114.184 116.893 -2.709 17536 2098 1 8 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.125 -0.109 17536 2099 1 8 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.669 -0.978 17536 2100 1 8 . 1 1 55 55 GLN H H 55 7.869 7.869 7.219 0.650 17536 2101 1 8 . 1 1 56 56 GLY N N 56 109.634 109.634 108.948 0.686 17536 2102 1 8 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.775 0.229 17536 2103 1 8 . 1 1 56 56 GLY H H 56 7.935 7.935 7.784 0.151 17536 2104 1 8 . 1 1 57 57 VAL N N 57 112.345 112.345 120.762 -8.417 17536 2105 1 8 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.901 -1.686 17536 2106 1 8 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.337 -3.132 17536 2107 1 8 . 1 1 57 57 VAL H H 57 7.680 7.680 7.620 0.060 17536 2108 1 8 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.164 -1.324 17536 2109 1 8 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.578 -1.431 17536 2110 1 8 . 1 1 59 59 MET N N 59 124.540 124.540 122.243 2.297 17536 2111 1 8 . 1 1 59 59 MET CA C 59 57.840 57.840 58.535 -0.695 17536 2112 1 8 . 1 1 59 59 MET CB C 59 31.677 31.677 32.409 -0.732 17536 2113 1 8 . 1 1 59 59 MET H H 59 8.991 8.991 8.647 0.344 17536 2114 1 8 . 1 1 60 60 ASN N N 60 113.019 113.019 114.432 -1.413 17536 2115 1 8 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.265 -1.660 17536 2116 1 8 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.804 -1.292 17536 2117 1 8 . 1 1 60 60 ASN H H 60 8.412 8.412 8.108 0.304 17536 2118 1 8 . 1 1 61 61 SER N N 61 113.126 113.126 115.937 -2.811 17536 2119 1 8 . 1 1 61 61 SER CA C 61 59.328 59.328 61.034 -1.706 17536 2120 1 8 . 1 1 61 61 SER CB C 61 64.220 64.220 63.496 0.724 17536 2121 1 8 . 1 1 61 61 SER H H 61 7.938 7.938 8.220 -0.282 17536 2122 1 8 . 1 1 62 62 LEU N N 62 120.885 120.885 116.264 4.621 17536 2123 1 8 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.825 -0.574 17536 2124 1 8 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.379 1.823 17536 2125 1 8 . 1 1 62 62 LEU H H 62 7.264 7.264 7.345 -0.081 17536 2126 1 8 . 1 1 63 63 ARG N N 63 120.159 120.159 118.145 2.014 17536 2127 1 8 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.695 -1.725 17536 2128 1 8 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.984 -0.939 17536 2129 1 8 . 1 1 63 63 ARG H H 63 9.050 9.050 7.867 1.183 17536 2130 1 8 . 1 1 64 64 PHE N N 64 122.440 122.440 122.905 -0.465 17536 2131 1 8 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.978 -0.112 17536 2132 1 8 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.508 -1.743 17536 2133 1 8 . 1 1 64 64 PHE H H 64 8.880 8.880 9.006 -0.126 17536 2134 1 8 . 1 1 65 65 LEU N N 65 124.383 124.383 118.552 5.831 17536 2135 1 8 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.725 -0.320 17536 2136 1 8 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.808 -0.603 17536 2137 1 8 . 1 1 65 65 LEU H H 65 9.773 9.773 9.080 0.693 17536 2138 1 8 . 1 1 66 66 PHE N N 66 119.605 119.605 120.052 -0.447 17536 2139 1 8 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.715 -0.937 17536 2140 1 8 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.061 -2.204 17536 2141 1 8 . 1 1 66 66 PHE H H 66 9.020 9.020 9.001 0.020 17536 2142 1 8 . 1 1 67 67 GLU N N 67 129.259 129.259 123.025 6.234 17536 2143 1 8 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.918 -0.596 17536 2144 1 8 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.037 -2.137 17536 2145 1 8 . 1 1 67 67 GLU H H 67 9.372 9.372 8.817 0.555 17536 2146 1 8 . 1 1 68 68 GLY N N 68 106.230 106.230 104.174 2.056 17536 2147 1 8 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.185 -0.370 17536 2148 1 8 . 1 1 68 68 GLY H H 68 8.852 8.852 8.585 0.267 17536 2149 1 8 . 1 1 69 69 GLN N N 69 120.665 120.665 121.282 -0.617 17536 2150 1 8 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.159 -1.652 17536 2151 1 8 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.655 0.119 17536 2152 1 8 . 1 1 69 69 GLN H H 69 8.012 8.012 7.785 0.227 17536 2153 1 8 . 1 1 70 70 ARG N N 70 124.728 124.728 122.237 2.491 17536 2154 1 8 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.669 -0.833 17536 2155 1 8 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.974 -1.597 17536 2156 1 8 . 1 1 70 70 ARG H H 70 8.798 8.798 8.553 0.245 17536 2157 1 8 . 1 1 71 71 ILE N N 71 126.508 126.508 121.404 5.104 17536 2158 1 8 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.540 0.482 17536 2159 1 8 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.682 -1.756 17536 2160 1 8 . 1 1 71 71 ILE H H 71 8.963 8.963 7.920 1.043 17536 2161 1 8 . 1 1 72 72 ALA N N 72 112.644 112.644 130.548 -17.904 17536 2162 1 8 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.253 -2.069 17536 2163 1 8 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.545 -1.983 17536 2164 1 8 . 1 1 72 72 ALA H H 72 10.898 10.898 9.041 1.857 17536 2165 1 8 . 1 1 73 73 ASP N N 73 120.048 120.048 119.385 0.663 17536 2166 1 8 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.941 0.600 17536 2167 1 8 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.163 -1.684 17536 2168 1 8 . 1 1 73 73 ASP H H 73 8.703 8.703 8.683 0.020 17536 2169 1 8 . 1 1 74 74 ASN N N 74 109.993 109.993 112.859 -2.866 17536 2170 1 8 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.678 -1.000 17536 2171 1 8 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.847 -2.166 17536 2172 1 8 . 1 1 74 74 ASN H H 74 7.816 7.816 7.924 -0.108 17536 2173 1 8 . 1 1 75 75 HIS N N 75 119.905 119.905 120.427 -0.522 17536 2174 1 8 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.403 -2.311 17536 2175 1 8 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.731 1.986 17536 2176 1 8 . 1 1 75 75 HIS H H 75 7.130 7.130 7.341 -0.211 17536 2177 1 8 . 1 1 76 76 THR N N 76 108.552 108.552 114.090 -5.538 17536 2178 1 8 . 1 1 76 76 THR CA C 76 57.324 57.324 61.582 -4.258 17536 2179 1 8 . 1 1 76 76 THR CB C 76 69.679 69.679 70.616 -0.937 17536 2180 1 8 . 1 1 76 76 THR H H 76 7.230 7.230 8.626 -1.396 17536 2181 1 8 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.219 0.053 17536 2182 1 8 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.682 -0.066 17536 2183 1 8 . 1 1 78 78 LYS N N 78 115.253 115.253 117.360 -2.107 17536 2184 1 8 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.853 -0.357 17536 2185 1 8 . 1 1 78 78 LYS CB C 78 31.646 31.646 32.065 -0.419 17536 2186 1 8 . 1 1 78 78 LYS H H 78 8.021 8.021 8.235 -0.214 17536 2187 1 8 . 1 1 79 79 GLU N N 79 120.837 120.837 116.578 4.259 17536 2188 1 8 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.352 1.032 17536 2189 1 8 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.860 -1.613 17536 2190 1 8 . 1 1 79 79 GLU H H 79 7.992 7.992 8.681 -0.689 17536 2191 1 8 . 1 1 80 80 LEU N N 80 115.222 115.222 118.836 -3.614 17536 2192 1 8 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.261 -1.221 17536 2193 1 8 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.735 -1.340 17536 2194 1 8 . 1 1 80 80 LEU H H 80 7.507 7.507 7.644 -0.137 17536 2195 1 8 . 1 1 81 81 GLY N N 81 108.030 108.030 107.457 0.573 17536 2196 1 8 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.960 -0.031 17536 2197 1 8 . 1 1 81 81 GLY H H 81 7.656 7.656 7.865 -0.209 17536 2198 1 8 . 1 1 82 82 MET N N 82 117.690 117.690 118.902 -1.212 17536 2199 1 8 . 1 1 82 82 MET CA C 82 56.371 56.371 56.204 0.167 17536 2200 1 8 . 1 1 82 82 MET CB C 82 33.507 33.507 32.305 1.202 17536 2201 1 8 . 1 1 82 82 MET H H 82 7.646 7.646 7.743 -0.097 17536 2202 1 8 . 1 1 83 83 GLU N N 83 121.031 121.031 125.113 -4.082 17536 2203 1 8 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.651 -3.171 17536 2204 1 8 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.771 1.985 17536 2205 1 8 . 1 1 83 83 GLU H H 83 9.316 9.316 8.323 0.993 17536 2206 1 8 . 1 1 84 84 GLU N N 84 119.223 119.223 118.831 0.392 17536 2207 1 8 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.542 1.317 17536 2208 1 8 . 1 1 84 84 GLU CB C 84 28.902 28.902 29.965 -1.063 17536 2209 1 8 . 1 1 84 84 GLU H H 84 8.303 8.303 8.360 -0.057 17536 2210 1 8 . 1 1 85 85 GLU N N 85 118.921 118.921 117.788 1.133 17536 2211 1 8 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.914 1.121 17536 2212 1 8 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.114 -3.487 17536 2213 1 8 . 1 1 85 85 GLU H H 85 9.445 9.445 8.560 0.885 17536 2214 1 8 . 1 1 86 86 ASP N N 86 120.152 120.152 116.950 3.202 17536 2215 1 8 . 1 1 86 86 ASP CA C 86 55.429 55.429 55.871 -0.442 17536 2216 1 8 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.819 -0.522 17536 2217 1 8 . 1 1 86 86 ASP H H 86 8.170 8.170 7.969 0.201 17536 2218 1 8 . 1 1 87 87 VAL N N 87 117.258 117.258 117.907 -0.649 17536 2219 1 8 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.187 -0.181 17536 2220 1 8 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.451 -1.292 17536 2221 1 8 . 1 1 87 87 VAL H H 87 8.189 8.189 8.366 -0.177 17536 2222 1 8 . 1 1 88 88 ILE N N 88 127.588 127.588 123.766 3.822 17536 2223 1 8 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.720 -0.512 17536 2224 1 8 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.135 -2.133 17536 2225 1 8 . 1 1 88 88 ILE H H 88 9.308 9.308 8.809 0.499 17536 2226 1 8 . 1 1 89 89 GLU N N 89 125.759 125.759 125.679 0.080 17536 2227 1 8 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.423 0.105 17536 2228 1 8 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.803 -0.484 17536 2229 1 8 . 1 1 89 89 GLU H H 89 8.878 8.878 8.352 0.525 17536 2230 1 8 . 1 1 90 90 VAL N N 90 119.884 119.884 123.272 -3.388 17536 2231 1 8 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.428 -1.160 17536 2232 1 8 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.636 -0.561 17536 2233 1 8 . 1 1 90 90 VAL H H 90 7.842 7.842 7.684 0.158 17536 2234 1 8 . 1 1 91 91 TYR N N 91 124.563 124.563 124.237 0.326 17536 2235 1 8 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.539 -0.798 17536 2236 1 8 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.814 -0.171 17536 2237 1 8 . 1 1 91 91 TYR H H 91 8.575 8.575 9.040 -0.465 17536 2238 1 8 . 1 1 92 92 GLN N N 92 120.648 120.648 123.021 -2.373 17536 2239 1 8 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.369 -0.648 17536 2240 1 8 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.135 -0.779 17536 2241 1 8 . 1 1 92 92 GLN H H 92 8.745 8.745 8.603 0.142 17536 2242 1 8 . 1 1 93 93 GLU N N 93 124.997 124.997 127.766 -2.769 17536 2243 1 8 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.596 -1.005 17536 2244 1 8 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.780 -1.325 17536 2245 1 8 . 1 1 93 93 GLU H H 93 8.435 8.435 8.784 -0.349 17536 2246 1 8 . 1 1 94 94 GLN N N 94 122.830 122.830 123.170 -0.340 17536 2247 1 8 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.021 0.341 17536 2248 1 8 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.996 -2.387 17536 2249 1 8 . 1 1 94 94 GLN H H 94 8.752 8.752 8.188 0.564 17536 2250 1 8 . 1 1 95 95 THR N N 95 116.050 116.050 111.771 4.279 17536 2251 1 8 . 1 1 95 95 THR CA C 95 61.600 61.600 60.711 0.889 17536 2252 1 8 . 1 1 95 95 THR CB C 95 69.218 69.218 70.234 -1.016 17536 2253 1 8 . 1 1 95 95 THR H H 95 8.370 8.370 8.164 0.206 17536 2254 1 8 . 1 1 96 96 GLY N N 96 111.777 111.777 108.751 3.026 17536 2255 1 8 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.740 -0.021 17536 2256 1 8 . 1 1 96 96 GLY H H 96 8.471 8.471 8.375 0.096 17536 2257 1 9 . 1 1 21 21 TYR N N 21 118.396 118.396 119.543 -1.147 17536 2258 1 9 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.437 -0.290 17536 2259 1 9 . 1 1 21 21 TYR CB C 21 40.823 40.823 39.134 1.689 17536 2260 1 9 . 1 1 21 21 TYR H H 21 8.286 8.286 8.525 -0.239 17536 2261 1 9 . 1 1 22 22 ILE N N 22 116.826 116.826 120.621 -3.795 17536 2262 1 9 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.901 -0.702 17536 2263 1 9 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.239 1.486 17536 2264 1 9 . 1 1 22 22 ILE H H 22 9.062 9.062 7.894 1.168 17536 2265 1 9 . 1 1 23 23 LYS N N 23 125.020 125.020 125.895 -0.875 17536 2266 1 9 . 1 1 23 23 LYS CA C 23 54.061 54.061 56.079 -2.018 17536 2267 1 9 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.178 0.416 17536 2268 1 9 . 1 1 23 23 LYS H H 23 8.626 8.626 8.484 0.142 17536 2269 1 9 . 1 1 24 24 LEU N N 24 125.519 125.519 128.109 -2.590 17536 2270 1 9 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.520 -1.377 17536 2271 1 9 . 1 1 24 24 LEU CB C 24 33.273 33.273 42.951 -9.678 17536 2272 1 9 . 1 1 24 24 LEU H H 24 9.235 9.235 8.751 0.484 17536 2273 1 9 . 1 1 25 25 LYS N N 25 120.608 120.608 125.751 -5.143 17536 2274 1 9 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.577 -1.599 17536 2275 1 9 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.349 0.709 17536 2276 1 9 . 1 1 25 25 LYS H H 25 8.769 8.769 8.150 0.619 17536 2277 1 9 . 1 1 26 26 VAL N N 26 124.031 124.031 126.759 -2.728 17536 2278 1 9 . 1 1 26 26 VAL CA C 26 61.238 61.238 62.044 -0.806 17536 2279 1 9 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.180 0.840 17536 2280 1 9 . 1 1 26 26 VAL H H 26 9.330 9.330 7.941 1.389 17536 2281 1 9 . 1 1 27 27 ILE N N 27 128.203 128.203 128.678 -0.475 17536 2282 1 9 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.441 -0.693 17536 2283 1 9 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.715 0.934 17536 2284 1 9 . 1 1 27 27 ILE H H 27 8.996 8.996 8.055 0.941 17536 2285 1 9 . 1 1 28 28 GLY N N 28 113.380 113.380 114.293 -0.913 17536 2286 1 9 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.183 -0.657 17536 2287 1 9 . 1 1 28 28 GLY H H 28 8.520 8.520 8.318 0.203 17536 2288 1 9 . 1 1 29 29 GLN N N 29 120.798 120.798 117.957 2.841 17536 2289 1 9 . 1 1 29 29 GLN CA C 29 57.113 57.113 56.149 0.964 17536 2290 1 9 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.399 -0.676 17536 2291 1 9 . 1 1 29 29 GLN H H 29 8.683 8.683 8.626 0.057 17536 2292 1 9 . 1 1 30 30 ASP N N 30 118.553 118.553 118.624 -0.071 17536 2293 1 9 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.645 -0.756 17536 2294 1 9 . 1 1 30 30 ASP CB C 30 39.011 39.011 39.690 -0.679 17536 2295 1 9 . 1 1 30 30 ASP H H 30 8.427 8.427 7.826 0.601 17536 2296 1 9 . 1 1 31 31 SER N N 31 111.431 111.431 114.454 -3.023 17536 2297 1 9 . 1 1 31 31 SER CA C 31 60.317 60.317 59.630 0.687 17536 2298 1 9 . 1 1 31 31 SER CB C 31 61.567 61.567 63.175 -1.608 17536 2299 1 9 . 1 1 31 31 SER H H 31 7.998 7.998 8.585 -0.587 17536 2300 1 9 . 1 1 32 32 SER N N 32 117.290 117.290 117.550 -0.260 17536 2301 1 9 . 1 1 32 32 SER CA C 32 58.422 58.422 57.947 0.475 17536 2302 1 9 . 1 1 32 32 SER CB C 32 63.318 63.318 63.475 -0.157 17536 2303 1 9 . 1 1 32 32 SER H H 32 7.981 7.981 7.856 0.125 17536 2304 1 9 . 1 1 33 33 GLU N N 33 121.975 121.975 128.560 -6.585 17536 2305 1 9 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.828 0.851 17536 2306 1 9 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.200 5.674 17536 2307 1 9 . 1 1 33 33 GLU H H 33 8.661 8.661 8.379 0.282 17536 2308 1 9 . 1 1 34 34 ILE N N 34 124.052 124.052 123.743 0.309 17536 2309 1 9 . 1 1 34 34 ILE H H 34 8.912 8.912 8.309 0.603 17536 2310 1 9 . 1 1 35 35 HIS N N 35 126.451 126.451 123.495 2.956 17536 2311 1 9 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.761 2.496 17536 2312 1 9 . 1 1 35 35 HIS H H 35 9.311 9.311 8.604 0.707 17536 2313 1 9 . 1 1 36 36 PHE N N 36 121.806 121.806 126.095 -4.289 17536 2314 1 9 . 1 1 36 36 PHE H H 36 9.521 9.521 8.543 0.978 17536 2315 1 9 . 1 1 37 37 LYS N N 37 121.707 121.707 125.908 -4.201 17536 2316 1 9 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.378 0.337 17536 2317 1 9 . 1 1 37 37 LYS CB C 37 33.375 33.375 33.867 -0.492 17536 2318 1 9 . 1 1 37 37 LYS H H 37 9.572 9.572 8.572 1.000 17536 2319 1 9 . 1 1 38 38 VAL N N 38 120.042 120.042 125.803 -5.761 17536 2320 1 9 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.813 -2.179 17536 2321 1 9 . 1 1 38 38 VAL CB C 38 34.833 34.833 33.846 0.987 17536 2322 1 9 . 1 1 38 38 VAL H H 38 9.127 9.127 8.027 1.100 17536 2323 1 9 . 1 1 39 39 LYS N N 39 123.275 123.275 126.309 -3.034 17536 2324 1 9 . 1 1 39 39 LYS CA C 39 56.199 56.199 56.751 -0.552 17536 2325 1 9 . 1 1 39 39 LYS CB C 39 31.498 31.498 32.799 -1.301 17536 2326 1 9 . 1 1 39 39 LYS H H 39 8.112 8.112 8.652 -0.540 17536 2327 1 9 . 1 1 40 40 MET N N 40 119.217 119.217 123.514 -4.297 17536 2328 1 9 . 1 1 40 40 MET CA C 40 56.982 56.982 57.518 -0.536 17536 2329 1 9 . 1 1 40 40 MET CB C 40 30.542 30.542 32.370 -1.828 17536 2330 1 9 . 1 1 40 40 MET H H 40 8.436 8.436 8.304 0.132 17536 2331 1 9 . 1 1 41 41 THR N N 41 126.854 126.854 111.582 15.272 17536 2332 1 9 . 1 1 41 41 THR CA C 41 59.606 59.606 62.447 -2.841 17536 2333 1 9 . 1 1 41 41 THR CB C 41 68.156 68.156 69.450 -1.294 17536 2334 1 9 . 1 1 41 41 THR H H 41 6.958 6.958 7.980 -1.022 17536 2335 1 9 . 1 1 42 42 THR N N 42 122.773 122.773 116.562 6.211 17536 2336 1 9 . 1 1 42 42 THR CB C 42 69.362 69.362 71.026 -1.664 17536 2337 1 9 . 1 1 42 42 THR H H 42 7.452 7.452 7.270 0.182 17536 2338 1 9 . 1 1 43 43 HIS N N 43 124.643 124.643 119.232 5.411 17536 2339 1 9 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.532 -0.814 17536 2340 1 9 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.586 -1.514 17536 2341 1 9 . 1 1 43 43 HIS H H 43 8.544 8.544 8.307 0.237 17536 2342 1 9 . 1 1 44 44 LEU N N 44 124.399 124.399 120.591 3.808 17536 2343 1 9 . 1 1 44 44 LEU CA C 44 57.612 57.612 55.932 1.680 17536 2344 1 9 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.265 -1.537 17536 2345 1 9 . 1 1 44 44 LEU H H 44 9.406 9.406 8.341 1.065 17536 2346 1 9 . 1 1 45 45 LYS N N 45 122.482 122.482 120.109 2.373 17536 2347 1 9 . 1 1 45 45 LYS H H 45 8.871 8.871 8.452 0.419 17536 2348 1 9 . 1 1 46 46 LYS N N 46 114.179 114.179 118.829 -4.650 17536 2349 1 9 . 1 1 46 46 LYS H H 46 8.202 8.202 7.519 0.683 17536 2350 1 9 . 1 1 47 47 LEU N N 47 120.590 120.590 120.777 -0.187 17536 2351 1 9 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.457 -0.681 17536 2352 1 9 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.911 -0.390 17536 2353 1 9 . 1 1 47 47 LEU H H 47 6.773 6.773 7.807 -1.034 17536 2354 1 9 . 1 1 48 48 LYS N N 48 118.663 118.663 119.289 -0.626 17536 2355 1 9 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.779 -0.521 17536 2356 1 9 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.209 -1.088 17536 2357 1 9 . 1 1 48 48 LYS H H 48 7.643 7.643 7.586 0.057 17536 2358 1 9 . 1 1 49 49 GLU N N 49 117.638 117.638 119.286 -1.648 17536 2359 1 9 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.729 -0.619 17536 2360 1 9 . 1 1 49 49 GLU H H 49 8.573 8.573 8.001 0.572 17536 2361 1 9 . 1 1 50 50 SER N N 50 114.362 114.362 116.555 -2.193 17536 2362 1 9 . 1 1 50 50 SER H H 50 7.402 7.402 8.199 -0.797 17536 2363 1 9 . 1 1 51 51 TYR N N 51 120.627 120.627 122.852 -2.225 17536 2364 1 9 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.270 1.744 17536 2365 1 9 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.865 -1.102 17536 2366 1 9 . 1 1 51 51 TYR H H 51 8.770 8.770 8.094 0.676 17536 2367 1 9 . 1 1 52 52 CYS N N 52 117.068 117.068 116.237 0.831 17536 2368 1 9 . 1 1 52 52 CYS CA C 52 64.636 64.636 62.754 1.882 17536 2369 1 9 . 1 1 52 52 CYS CB C 52 25.452 25.452 28.002 -2.550 17536 2370 1 9 . 1 1 52 52 CYS H H 52 8.814 8.814 7.978 0.836 17536 2371 1 9 . 1 1 53 53 GLN N N 53 119.373 119.373 119.502 -0.129 17536 2372 1 9 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.296 0.090 17536 2373 1 9 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.022 -0.670 17536 2374 1 9 . 1 1 53 53 GLN H H 53 8.357 8.357 8.095 0.262 17536 2375 1 9 . 1 1 54 54 ARG N N 54 120.169 120.169 118.782 1.387 17536 2376 1 9 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.416 0.715 17536 2377 1 9 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.444 -2.407 17536 2378 1 9 . 1 1 54 54 ARG H H 54 7.932 7.932 7.896 0.036 17536 2379 1 9 . 1 1 55 55 GLN N N 55 114.184 114.184 117.398 -3.214 17536 2380 1 9 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.509 -0.493 17536 2381 1 9 . 1 1 55 55 GLN CB C 55 28.691 28.691 30.373 -1.683 17536 2382 1 9 . 1 1 55 55 GLN H H 55 7.869 7.869 7.337 0.532 17536 2383 1 9 . 1 1 56 56 GLY N N 56 109.634 109.634 109.102 0.532 17536 2384 1 9 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.745 0.259 17536 2385 1 9 . 1 1 56 56 GLY H H 56 7.935 7.935 7.828 0.107 17536 2386 1 9 . 1 1 57 57 VAL N N 57 112.345 112.345 120.725 -8.380 17536 2387 1 9 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.906 -1.691 17536 2388 1 9 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.306 -3.101 17536 2389 1 9 . 1 1 57 57 VAL H H 57 7.680 7.680 7.567 0.113 17536 2390 1 9 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.175 -1.335 17536 2391 1 9 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.570 -1.423 17536 2392 1 9 . 1 1 59 59 MET N N 59 124.540 124.540 122.071 2.469 17536 2393 1 9 . 1 1 59 59 MET CA C 59 57.840 57.840 58.274 -0.434 17536 2394 1 9 . 1 1 59 59 MET CB C 59 31.677 31.677 32.456 -0.779 17536 2395 1 9 . 1 1 59 59 MET H H 59 8.991 8.991 8.642 0.349 17536 2396 1 9 . 1 1 60 60 ASN N N 60 113.019 113.019 114.415 -1.396 17536 2397 1 9 . 1 1 60 60 ASN CA C 60 53.605 53.605 54.961 -1.356 17536 2398 1 9 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.840 -1.327 17536 2399 1 9 . 1 1 60 60 ASN H H 60 8.412 8.412 8.073 0.339 17536 2400 1 9 . 1 1 61 61 SER N N 61 113.126 113.126 115.938 -2.812 17536 2401 1 9 . 1 1 61 61 SER CA C 61 59.328 59.328 61.021 -1.693 17536 2402 1 9 . 1 1 61 61 SER CB C 61 64.220 64.220 63.515 0.705 17536 2403 1 9 . 1 1 61 61 SER H H 61 7.938 7.938 8.219 -0.281 17536 2404 1 9 . 1 1 62 62 LEU N N 62 120.885 120.885 116.261 4.624 17536 2405 1 9 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.819 -0.568 17536 2406 1 9 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.371 1.831 17536 2407 1 9 . 1 1 62 62 LEU H H 62 7.264 7.264 7.345 -0.081 17536 2408 1 9 . 1 1 63 63 ARG N N 63 120.159 120.159 118.141 2.018 17536 2409 1 9 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.682 -1.712 17536 2410 1 9 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.986 -0.941 17536 2411 1 9 . 1 1 63 63 ARG H H 63 9.050 9.050 7.855 1.195 17536 2412 1 9 . 1 1 64 64 PHE N N 64 122.440 122.440 122.881 -0.441 17536 2413 1 9 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.966 -0.100 17536 2414 1 9 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.510 -1.745 17536 2415 1 9 . 1 1 64 64 PHE H H 64 8.880 8.880 8.999 -0.119 17536 2416 1 9 . 1 1 65 65 LEU N N 65 124.383 124.383 118.554 5.829 17536 2417 1 9 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.727 -0.322 17536 2418 1 9 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.802 -0.597 17536 2419 1 9 . 1 1 65 65 LEU H H 65 9.773 9.773 9.079 0.694 17536 2420 1 9 . 1 1 66 66 PHE N N 66 119.605 119.605 120.058 -0.453 17536 2421 1 9 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.722 -0.943 17536 2422 1 9 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.068 -2.211 17536 2423 1 9 . 1 1 66 66 PHE H H 66 9.020 9.020 9.004 0.016 17536 2424 1 9 . 1 1 67 67 GLU N N 67 129.259 129.259 123.029 6.230 17536 2425 1 9 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.922 -0.601 17536 2426 1 9 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.038 -2.138 17536 2427 1 9 . 1 1 67 67 GLU H H 67 9.372 9.372 8.821 0.551 17536 2428 1 9 . 1 1 68 68 GLY N N 68 106.230 106.230 104.175 2.055 17536 2429 1 9 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.183 -0.368 17536 2430 1 9 . 1 1 68 68 GLY H H 68 8.852 8.852 8.586 0.266 17536 2431 1 9 . 1 1 69 69 GLN N N 69 120.665 120.665 121.288 -0.623 17536 2432 1 9 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.159 -1.652 17536 2433 1 9 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.658 0.117 17536 2434 1 9 . 1 1 69 69 GLN H H 69 8.012 8.012 7.787 0.225 17536 2435 1 9 . 1 1 70 70 ARG N N 70 124.728 124.728 122.235 2.493 17536 2436 1 9 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.671 -0.835 17536 2437 1 9 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.974 -1.597 17536 2438 1 9 . 1 1 70 70 ARG H H 70 8.798 8.798 8.553 0.245 17536 2439 1 9 . 1 1 71 71 ILE N N 71 126.508 126.508 121.408 5.100 17536 2440 1 9 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.543 0.479 17536 2441 1 9 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.681 -1.755 17536 2442 1 9 . 1 1 71 71 ILE H H 71 8.963 8.963 7.921 1.042 17536 2443 1 9 . 1 1 72 72 ALA N N 72 112.644 112.644 130.554 -17.910 17536 2444 1 9 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.262 -2.078 17536 2445 1 9 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.549 -1.987 17536 2446 1 9 . 1 1 72 72 ALA H H 72 10.898 10.898 9.046 1.852 17536 2447 1 9 . 1 1 73 73 ASP N N 73 120.048 120.048 119.379 0.669 17536 2448 1 9 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.909 0.632 17536 2449 1 9 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.157 -1.678 17536 2450 1 9 . 1 1 73 73 ASP H H 73 8.703 8.703 8.689 0.014 17536 2451 1 9 . 1 1 74 74 ASN N N 74 109.993 109.993 112.874 -2.881 17536 2452 1 9 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.720 -1.042 17536 2453 1 9 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.835 -2.153 17536 2454 1 9 . 1 1 74 74 ASN H H 74 7.816 7.816 7.931 -0.115 17536 2455 1 9 . 1 1 75 75 HIS N N 75 119.905 119.905 120.471 -0.566 17536 2456 1 9 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.392 -2.300 17536 2457 1 9 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.739 1.978 17536 2458 1 9 . 1 1 75 75 HIS H H 75 7.130 7.130 7.344 -0.214 17536 2459 1 9 . 1 1 76 76 THR N N 76 108.552 108.552 113.955 -5.403 17536 2460 1 9 . 1 1 76 76 THR CA C 76 57.324 57.324 61.573 -4.249 17536 2461 1 9 . 1 1 76 76 THR CB C 76 69.679 69.679 70.539 -0.860 17536 2462 1 9 . 1 1 76 76 THR H H 76 7.230 7.230 8.611 -1.381 17536 2463 1 9 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.216 0.056 17536 2464 1 9 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.683 -0.067 17536 2465 1 9 . 1 1 78 78 LYS N N 78 115.253 115.253 116.653 -1.400 17536 2466 1 9 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.875 -0.379 17536 2467 1 9 . 1 1 78 78 LYS CB C 78 31.646 31.646 31.839 -0.193 17536 2468 1 9 . 1 1 78 78 LYS H H 78 8.021 8.021 8.303 -0.282 17536 2469 1 9 . 1 1 79 79 GLU N N 79 120.837 120.837 116.575 4.262 17536 2470 1 9 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.352 1.032 17536 2471 1 9 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.858 -1.611 17536 2472 1 9 . 1 1 79 79 GLU H H 79 7.992 7.992 8.679 -0.687 17536 2473 1 9 . 1 1 80 80 LEU N N 80 115.222 115.222 118.834 -3.612 17536 2474 1 9 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.266 -1.226 17536 2475 1 9 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.741 -1.346 17536 2476 1 9 . 1 1 80 80 LEU H H 80 7.507 7.507 7.645 -0.138 17536 2477 1 9 . 1 1 81 81 GLY N N 81 108.030 108.030 107.453 0.577 17536 2478 1 9 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.963 -0.034 17536 2479 1 9 . 1 1 81 81 GLY H H 81 7.656 7.656 7.866 -0.210 17536 2480 1 9 . 1 1 82 82 MET N N 82 117.690 117.690 118.898 -1.208 17536 2481 1 9 . 1 1 82 82 MET CA C 82 56.371 56.371 56.220 0.151 17536 2482 1 9 . 1 1 82 82 MET CB C 82 33.507 33.507 32.325 1.181 17536 2483 1 9 . 1 1 82 82 MET H H 82 7.646 7.646 7.748 -0.102 17536 2484 1 9 . 1 1 83 83 GLU N N 83 121.031 121.031 125.024 -3.993 17536 2485 1 9 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.468 -2.989 17536 2486 1 9 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.887 1.869 17536 2487 1 9 . 1 1 83 83 GLU H H 83 9.316 9.316 8.291 1.025 17536 2488 1 9 . 1 1 84 84 GLU N N 84 119.223 119.223 119.104 0.119 17536 2489 1 9 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.481 1.377 17536 2490 1 9 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.083 -1.181 17536 2491 1 9 . 1 1 84 84 GLU H H 84 8.303 8.303 8.336 -0.033 17536 2492 1 9 . 1 1 85 85 GLU N N 85 118.921 118.921 116.958 1.963 17536 2493 1 9 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.972 1.063 17536 2494 1 9 . 1 1 85 85 GLU CB C 85 25.627 25.627 28.961 -3.334 17536 2495 1 9 . 1 1 85 85 GLU H H 85 9.445 9.445 8.816 0.629 17536 2496 1 9 . 1 1 86 86 ASP N N 86 120.152 120.152 117.748 2.404 17536 2497 1 9 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.194 -0.765 17536 2498 1 9 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.709 -0.411 17536 2499 1 9 . 1 1 86 86 ASP H H 86 8.170 8.170 8.126 0.044 17536 2500 1 9 . 1 1 87 87 VAL N N 87 117.258 117.258 117.988 -0.730 17536 2501 1 9 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.267 -0.260 17536 2502 1 9 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.324 -1.165 17536 2503 1 9 . 1 1 87 87 VAL H H 87 8.189 8.189 8.321 -0.132 17536 2504 1 9 . 1 1 88 88 ILE N N 88 127.588 127.588 123.756 3.832 17536 2505 1 9 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.763 -0.555 17536 2506 1 9 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.097 -2.095 17536 2507 1 9 . 1 1 88 88 ILE H H 88 9.308 9.308 8.640 0.668 17536 2508 1 9 . 1 1 89 89 GLU N N 89 125.759 125.759 125.686 0.073 17536 2509 1 9 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.590 -0.062 17536 2510 1 9 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.758 -0.439 17536 2511 1 9 . 1 1 89 89 GLU H H 89 8.878 8.878 8.347 0.531 17536 2512 1 9 . 1 1 90 90 VAL N N 90 119.884 119.884 123.197 -3.313 17536 2513 1 9 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.375 -1.107 17536 2514 1 9 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.642 -0.567 17536 2515 1 9 . 1 1 90 90 VAL H H 90 7.842 7.842 7.760 0.082 17536 2516 1 9 . 1 1 91 91 TYR N N 91 124.563 124.563 124.190 0.373 17536 2517 1 9 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.516 -0.775 17536 2518 1 9 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.839 -0.196 17536 2519 1 9 . 1 1 91 91 TYR H H 91 8.575 8.575 9.019 -0.444 17536 2520 1 9 . 1 1 92 92 GLN N N 92 120.648 120.648 122.992 -2.344 17536 2521 1 9 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.372 -0.651 17536 2522 1 9 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.127 -0.771 17536 2523 1 9 . 1 1 92 92 GLN H H 92 8.745 8.745 8.596 0.149 17536 2524 1 9 . 1 1 93 93 GLU N N 93 124.997 124.997 127.776 -2.779 17536 2525 1 9 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.589 -0.998 17536 2526 1 9 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.779 -1.323 17536 2527 1 9 . 1 1 93 93 GLU H H 93 8.435 8.435 8.783 -0.348 17536 2528 1 9 . 1 1 94 94 GLN N N 94 122.830 122.830 123.168 -0.338 17536 2529 1 9 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.019 0.343 17536 2530 1 9 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.993 -2.384 17536 2531 1 9 . 1 1 94 94 GLN H H 94 8.752 8.752 8.186 0.566 17536 2532 1 9 . 1 1 95 95 THR N N 95 116.050 116.050 111.772 4.278 17536 2533 1 9 . 1 1 95 95 THR CA C 95 61.600 61.600 60.707 0.893 17536 2534 1 9 . 1 1 95 95 THR CB C 95 69.218 69.218 70.233 -1.015 17536 2535 1 9 . 1 1 95 95 THR H H 95 8.370 8.370 8.163 0.207 17536 2536 1 9 . 1 1 96 96 GLY N N 96 111.777 111.777 108.744 3.033 17536 2537 1 9 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.737 -0.018 17536 2538 1 9 . 1 1 96 96 GLY H H 96 8.471 8.471 8.374 0.097 17536 2539 1 10 . 1 1 21 21 TYR N N 21 118.396 118.396 120.302 -1.906 17536 2540 1 10 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.193 -0.046 17536 2541 1 10 . 1 1 21 21 TYR CB C 21 40.823 40.823 40.161 0.662 17536 2542 1 10 . 1 1 21 21 TYR H H 21 8.286 8.286 7.912 0.374 17536 2543 1 10 . 1 1 22 22 ILE N N 22 116.826 116.826 120.375 -3.549 17536 2544 1 10 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.637 -0.438 17536 2545 1 10 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.609 1.116 17536 2546 1 10 . 1 1 22 22 ILE H H 22 9.062 9.062 9.125 -0.063 17536 2547 1 10 . 1 1 23 23 LYS N N 23 125.020 125.020 124.811 0.209 17536 2548 1 10 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.007 -0.946 17536 2549 1 10 . 1 1 23 23 LYS CB C 23 32.594 32.594 33.277 -0.683 17536 2550 1 10 . 1 1 23 23 LYS H H 23 8.626 8.626 8.397 0.229 17536 2551 1 10 . 1 1 24 24 LEU N N 24 125.519 125.519 127.452 -1.933 17536 2552 1 10 . 1 1 24 24 LEU CA C 24 52.143 52.143 54.282 -2.139 17536 2553 1 10 . 1 1 24 24 LEU CB C 24 33.273 33.273 42.686 -9.413 17536 2554 1 10 . 1 1 24 24 LEU H H 24 9.235 9.235 8.105 1.130 17536 2555 1 10 . 1 1 25 25 LYS N N 25 120.608 120.608 126.022 -5.414 17536 2556 1 10 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.199 -1.221 17536 2557 1 10 . 1 1 25 25 LYS CB C 25 33.058 33.058 31.937 1.121 17536 2558 1 10 . 1 1 25 25 LYS H H 25 8.769 8.769 8.537 0.232 17536 2559 1 10 . 1 1 26 26 VAL N N 26 124.031 124.031 125.686 -1.655 17536 2560 1 10 . 1 1 26 26 VAL CA C 26 61.238 61.238 61.855 -0.617 17536 2561 1 10 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.912 0.108 17536 2562 1 10 . 1 1 26 26 VAL H H 26 9.330 9.330 7.904 1.426 17536 2563 1 10 . 1 1 27 27 ILE N N 27 128.203 128.203 129.068 -0.865 17536 2564 1 10 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.513 -0.765 17536 2565 1 10 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.575 1.074 17536 2566 1 10 . 1 1 27 27 ILE H H 27 8.996 8.996 8.076 0.920 17536 2567 1 10 . 1 1 28 28 GLY N N 28 113.380 113.380 114.084 -0.704 17536 2568 1 10 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.316 -0.790 17536 2569 1 10 . 1 1 28 28 GLY H H 28 8.520 8.520 8.402 0.118 17536 2570 1 10 . 1 1 29 29 GLN N N 29 120.798 120.798 118.028 2.770 17536 2571 1 10 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.912 1.201 17536 2572 1 10 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.345 -0.622 17536 2573 1 10 . 1 1 29 29 GLN H H 29 8.683 8.683 8.689 -0.006 17536 2574 1 10 . 1 1 30 30 ASP N N 30 118.553 118.553 118.766 -0.213 17536 2575 1 10 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.673 -0.784 17536 2576 1 10 . 1 1 30 30 ASP CB C 30 39.011 39.011 39.769 -0.758 17536 2577 1 10 . 1 1 30 30 ASP H H 30 8.427 8.427 7.906 0.521 17536 2578 1 10 . 1 1 31 31 SER N N 31 111.431 111.431 114.484 -3.053 17536 2579 1 10 . 1 1 31 31 SER CA C 31 60.317 60.317 59.634 0.683 17536 2580 1 10 . 1 1 31 31 SER CB C 31 61.567 61.567 63.172 -1.605 17536 2581 1 10 . 1 1 31 31 SER H H 31 7.998 7.998 8.594 -0.596 17536 2582 1 10 . 1 1 32 32 SER N N 32 117.290 117.290 117.709 -0.419 17536 2583 1 10 . 1 1 32 32 SER CA C 32 58.422 58.422 58.030 0.392 17536 2584 1 10 . 1 1 32 32 SER CB C 32 63.318 63.318 63.333 -0.015 17536 2585 1 10 . 1 1 32 32 SER H H 32 7.981 7.981 7.851 0.130 17536 2586 1 10 . 1 1 33 33 GLU N N 33 121.975 121.975 129.563 -7.588 17536 2587 1 10 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.907 0.772 17536 2588 1 10 . 1 1 33 33 GLU CB C 33 37.874 37.874 31.936 5.938 17536 2589 1 10 . 1 1 33 33 GLU H H 33 8.661 8.661 8.118 0.543 17536 2590 1 10 . 1 1 34 34 ILE N N 34 124.052 124.052 125.198 -1.146 17536 2591 1 10 . 1 1 34 34 ILE H H 34 8.912 8.912 8.077 0.835 17536 2592 1 10 . 1 1 35 35 HIS N N 35 126.451 126.451 122.864 3.587 17536 2593 1 10 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.177 3.080 17536 2594 1 10 . 1 1 35 35 HIS H H 35 9.311 9.311 8.129 1.182 17536 2595 1 10 . 1 1 36 36 PHE N N 36 121.806 121.806 124.828 -3.022 17536 2596 1 10 . 1 1 36 36 PHE H H 36 9.521 9.521 7.895 1.626 17536 2597 1 10 . 1 1 37 37 LYS N N 37 121.707 121.707 123.122 -1.415 17536 2598 1 10 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.678 0.037 17536 2599 1 10 . 1 1 37 37 LYS CB C 37 33.375 33.375 33.141 0.234 17536 2600 1 10 . 1 1 37 37 LYS H H 37 9.572 9.572 8.638 0.934 17536 2601 1 10 . 1 1 38 38 VAL N N 38 120.042 120.042 125.761 -5.719 17536 2602 1 10 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.122 -1.488 17536 2603 1 10 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.131 0.702 17536 2604 1 10 . 1 1 38 38 VAL H H 38 9.127 9.127 8.774 0.353 17536 2605 1 10 . 1 1 39 39 LYS N N 39 123.275 123.275 126.061 -2.786 17536 2606 1 10 . 1 1 39 39 LYS CA C 39 56.199 56.199 56.530 -0.331 17536 2607 1 10 . 1 1 39 39 LYS CB C 39 31.498 31.498 32.841 -1.343 17536 2608 1 10 . 1 1 39 39 LYS H H 39 8.112 8.112 8.606 -0.494 17536 2609 1 10 . 1 1 40 40 MET N N 40 119.217 119.217 122.245 -3.028 17536 2610 1 10 . 1 1 40 40 MET CA C 40 56.982 56.982 58.069 -1.087 17536 2611 1 10 . 1 1 40 40 MET CB C 40 30.542 30.542 32.774 -2.232 17536 2612 1 10 . 1 1 40 40 MET H H 40 8.436 8.436 8.165 0.271 17536 2613 1 10 . 1 1 41 41 THR N N 41 126.854 126.854 108.745 18.109 17536 2614 1 10 . 1 1 41 41 THR CA C 41 59.606 59.606 60.995 -1.389 17536 2615 1 10 . 1 1 41 41 THR CB C 41 68.156 68.156 68.725 -0.569 17536 2616 1 10 . 1 1 41 41 THR H H 41 6.958 6.958 7.831 -0.873 17536 2617 1 10 . 1 1 42 42 THR N N 42 122.773 122.773 119.167 3.606 17536 2618 1 10 . 1 1 42 42 THR CB C 42 69.362 69.362 71.027 -1.665 17536 2619 1 10 . 1 1 42 42 THR H H 42 7.452 7.452 7.243 0.209 17536 2620 1 10 . 1 1 43 43 HIS N N 43 124.643 124.643 121.111 3.532 17536 2621 1 10 . 1 1 43 43 HIS CA C 43 55.718 55.718 55.749 -0.031 17536 2622 1 10 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.730 -1.657 17536 2623 1 10 . 1 1 43 43 HIS H H 43 8.544 8.544 8.278 0.266 17536 2624 1 10 . 1 1 44 44 LEU N N 44 124.399 124.399 120.717 3.682 17536 2625 1 10 . 1 1 44 44 LEU CA C 44 57.612 57.612 56.013 1.599 17536 2626 1 10 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.223 -1.495 17536 2627 1 10 . 1 1 44 44 LEU H H 44 9.406 9.406 8.591 0.815 17536 2628 1 10 . 1 1 45 45 LYS N N 45 122.482 122.482 120.322 2.160 17536 2629 1 10 . 1 1 45 45 LYS H H 45 8.871 8.871 8.365 0.506 17536 2630 1 10 . 1 1 46 46 LYS N N 46 114.179 114.179 118.608 -4.429 17536 2631 1 10 . 1 1 46 46 LYS H H 46 8.202 8.202 7.526 0.676 17536 2632 1 10 . 1 1 47 47 LEU N N 47 120.590 120.590 120.523 0.067 17536 2633 1 10 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.089 -0.313 17536 2634 1 10 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.878 -0.357 17536 2635 1 10 . 1 1 47 47 LEU H H 47 6.773 6.773 7.626 -0.853 17536 2636 1 10 . 1 1 48 48 LYS N N 48 118.663 118.663 119.343 -0.680 17536 2637 1 10 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.564 -0.306 17536 2638 1 10 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.052 -0.931 17536 2639 1 10 . 1 1 48 48 LYS H H 48 7.643 7.643 7.622 0.021 17536 2640 1 10 . 1 1 49 49 GLU N N 49 117.638 117.638 119.719 -2.081 17536 2641 1 10 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.542 -0.432 17536 2642 1 10 . 1 1 49 49 GLU H H 49 8.573 8.573 8.053 0.520 17536 2643 1 10 . 1 1 50 50 SER N N 50 114.362 114.362 115.437 -1.075 17536 2644 1 10 . 1 1 50 50 SER H H 50 7.402 7.402 7.841 -0.439 17536 2645 1 10 . 1 1 51 51 TYR N N 51 120.627 120.627 122.663 -2.036 17536 2646 1 10 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.798 1.216 17536 2647 1 10 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.857 -1.094 17536 2648 1 10 . 1 1 51 51 TYR H H 51 8.770 8.770 7.704 1.066 17536 2649 1 10 . 1 1 52 52 CYS N N 52 117.068 117.068 117.158 -0.090 17536 2650 1 10 . 1 1 52 52 CYS CA C 52 64.636 64.636 63.386 1.250 17536 2651 1 10 . 1 1 52 52 CYS CB C 52 25.452 25.452 27.357 -1.905 17536 2652 1 10 . 1 1 52 52 CYS H H 52 8.814 8.814 8.180 0.634 17536 2653 1 10 . 1 1 53 53 GLN N N 53 119.373 119.373 119.842 -0.469 17536 2654 1 10 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.212 0.174 17536 2655 1 10 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.038 -0.686 17536 2656 1 10 . 1 1 53 53 GLN H H 53 8.357 8.357 8.172 0.185 17536 2657 1 10 . 1 1 54 54 ARG N N 54 120.169 120.169 118.155 2.014 17536 2658 1 10 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.773 0.358 17536 2659 1 10 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.325 -2.288 17536 2660 1 10 . 1 1 54 54 ARG H H 54 7.932 7.932 7.686 0.246 17536 2661 1 10 . 1 1 55 55 GLN N N 55 114.184 114.184 116.742 -2.558 17536 2662 1 10 . 1 1 55 55 GLN CA C 55 55.016 55.016 54.808 0.208 17536 2663 1 10 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.659 -0.968 17536 2664 1 10 . 1 1 55 55 GLN H H 55 7.869 7.869 7.492 0.377 17536 2665 1 10 . 1 1 56 56 GLY N N 56 109.634 109.634 108.368 1.266 17536 2666 1 10 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.742 0.262 17536 2667 1 10 . 1 1 56 56 GLY H H 56 7.935 7.935 7.774 0.161 17536 2668 1 10 . 1 1 57 57 VAL N N 57 112.345 112.345 120.865 -8.520 17536 2669 1 10 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.926 -1.711 17536 2670 1 10 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.431 -3.225 17536 2671 1 10 . 1 1 57 57 VAL H H 57 7.680 7.680 7.756 -0.076 17536 2672 1 10 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.132 -1.292 17536 2673 1 10 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.605 -1.458 17536 2674 1 10 . 1 1 59 59 MET N N 59 124.540 124.540 122.430 2.110 17536 2675 1 10 . 1 1 59 59 MET CA C 59 57.840 57.840 58.594 -0.754 17536 2676 1 10 . 1 1 59 59 MET CB C 59 31.677 31.677 32.343 -0.666 17536 2677 1 10 . 1 1 59 59 MET H H 59 8.991 8.991 8.655 0.336 17536 2678 1 10 . 1 1 60 60 ASN N N 60 113.019 113.019 114.418 -1.399 17536 2679 1 10 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.366 -1.761 17536 2680 1 10 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.711 -1.199 17536 2681 1 10 . 1 1 60 60 ASN H H 60 8.412 8.412 8.157 0.255 17536 2682 1 10 . 1 1 61 61 SER N N 61 113.126 113.126 115.946 -2.820 17536 2683 1 10 . 1 1 61 61 SER CA C 61 59.328 59.328 61.039 -1.711 17536 2684 1 10 . 1 1 61 61 SER CB C 61 64.220 64.220 63.504 0.716 17536 2685 1 10 . 1 1 61 61 SER H H 61 7.938 7.938 8.225 -0.287 17536 2686 1 10 . 1 1 62 62 LEU N N 62 120.885 120.885 116.270 4.615 17536 2687 1 10 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.833 -0.582 17536 2688 1 10 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.381 1.821 17536 2689 1 10 . 1 1 62 62 LEU H H 62 7.264 7.264 7.353 -0.089 17536 2690 1 10 . 1 1 63 63 ARG N N 63 120.159 120.159 118.149 2.010 17536 2691 1 10 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.693 -1.723 17536 2692 1 10 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.994 -0.949 17536 2693 1 10 . 1 1 63 63 ARG H H 63 9.050 9.050 7.868 1.182 17536 2694 1 10 . 1 1 64 64 PHE N N 64 122.440 122.440 122.908 -0.468 17536 2695 1 10 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.995 -0.129 17536 2696 1 10 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.533 -1.768 17536 2697 1 10 . 1 1 64 64 PHE H H 64 8.880 8.880 9.014 -0.134 17536 2698 1 10 . 1 1 65 65 LEU N N 65 124.383 124.383 118.582 5.801 17536 2699 1 10 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.743 -0.338 17536 2700 1 10 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.814 -0.609 17536 2701 1 10 . 1 1 65 65 LEU H H 65 9.773 9.773 9.106 0.667 17536 2702 1 10 . 1 1 66 66 PHE N N 66 119.605 119.605 120.069 -0.464 17536 2703 1 10 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.736 -0.957 17536 2704 1 10 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.081 -2.224 17536 2705 1 10 . 1 1 66 66 PHE H H 66 9.020 9.020 9.015 0.005 17536 2706 1 10 . 1 1 67 67 GLU N N 67 129.259 129.259 123.042 6.217 17536 2707 1 10 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.928 -0.606 17536 2708 1 10 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.046 -2.146 17536 2709 1 10 . 1 1 67 67 GLU H H 67 9.372 9.372 8.831 0.541 17536 2710 1 10 . 1 1 68 68 GLY N N 68 106.230 106.230 104.184 2.046 17536 2711 1 10 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.191 -0.376 17536 2712 1 10 . 1 1 68 68 GLY H H 68 8.852 8.852 8.596 0.256 17536 2713 1 10 . 1 1 69 69 GLN N N 69 120.665 120.665 121.291 -0.626 17536 2714 1 10 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.166 -1.659 17536 2715 1 10 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.660 0.115 17536 2716 1 10 . 1 1 69 69 GLN H H 69 8.012 8.012 7.793 0.219 17536 2717 1 10 . 1 1 70 70 ARG N N 70 124.728 124.728 122.243 2.485 17536 2718 1 10 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.676 -0.840 17536 2719 1 10 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.979 -1.601 17536 2720 1 10 . 1 1 70 70 ARG H H 70 8.798 8.798 8.558 0.240 17536 2721 1 10 . 1 1 71 71 ILE N N 71 126.508 126.508 121.403 5.105 17536 2722 1 10 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.546 0.476 17536 2723 1 10 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.694 -1.768 17536 2724 1 10 . 1 1 71 71 ILE H H 71 8.963 8.963 7.927 1.036 17536 2725 1 10 . 1 1 72 72 ALA N N 72 112.644 112.644 130.549 -17.905 17536 2726 1 10 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.250 -2.066 17536 2727 1 10 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.536 -1.974 17536 2728 1 10 . 1 1 72 72 ALA H H 72 10.898 10.898 9.041 1.857 17536 2729 1 10 . 1 1 73 73 ASP N N 73 120.048 120.048 119.342 0.706 17536 2730 1 10 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.983 0.558 17536 2731 1 10 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.163 -1.684 17536 2732 1 10 . 1 1 73 73 ASP H H 73 8.703 8.703 8.676 0.027 17536 2733 1 10 . 1 1 74 74 ASN N N 74 109.993 109.993 112.962 -2.969 17536 2734 1 10 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.563 -0.885 17536 2735 1 10 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.784 -2.102 17536 2736 1 10 . 1 1 74 74 ASN H H 74 7.816 7.816 7.905 -0.089 17536 2737 1 10 . 1 1 75 75 HIS N N 75 119.905 119.905 120.528 -0.623 17536 2738 1 10 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.435 -2.343 17536 2739 1 10 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.700 2.017 17536 2740 1 10 . 1 1 75 75 HIS H H 75 7.130 7.130 7.274 -0.144 17536 2741 1 10 . 1 1 76 76 THR N N 76 108.552 108.552 113.936 -5.384 17536 2742 1 10 . 1 1 76 76 THR CA C 76 57.324 57.324 61.582 -4.258 17536 2743 1 10 . 1 1 76 76 THR CB C 76 69.679 69.679 70.518 -0.839 17536 2744 1 10 . 1 1 76 76 THR H H 76 7.230 7.230 8.626 -1.396 17536 2745 1 10 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.093 0.179 17536 2746 1 10 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.575 0.042 17536 2747 1 10 . 1 1 78 78 LYS N N 78 115.253 115.253 117.354 -2.101 17536 2748 1 10 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.941 -0.445 17536 2749 1 10 . 1 1 78 78 LYS CB C 78 31.646 31.646 32.175 -0.529 17536 2750 1 10 . 1 1 78 78 LYS H H 78 8.021 8.021 8.150 -0.129 17536 2751 1 10 . 1 1 79 79 GLU N N 79 120.837 120.837 116.589 4.248 17536 2752 1 10 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.358 1.026 17536 2753 1 10 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.861 -1.614 17536 2754 1 10 . 1 1 79 79 GLU H H 79 7.992 7.992 8.690 -0.698 17536 2755 1 10 . 1 1 80 80 LEU N N 80 115.222 115.222 118.843 -3.621 17536 2756 1 10 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.271 -1.231 17536 2757 1 10 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.746 -1.351 17536 2758 1 10 . 1 1 80 80 LEU H H 80 7.507 7.507 7.653 -0.146 17536 2759 1 10 . 1 1 81 81 GLY N N 81 108.030 108.030 107.465 0.565 17536 2760 1 10 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.968 -0.038 17536 2761 1 10 . 1 1 81 81 GLY H H 81 7.656 7.656 7.874 -0.218 17536 2762 1 10 . 1 1 82 82 MET N N 82 117.690 117.690 118.917 -1.227 17536 2763 1 10 . 1 1 82 82 MET CA C 82 56.371 56.371 56.211 0.160 17536 2764 1 10 . 1 1 82 82 MET CB C 82 33.507 33.507 32.318 1.190 17536 2765 1 10 . 1 1 82 82 MET H H 82 7.646 7.646 7.754 -0.108 17536 2766 1 10 . 1 1 83 83 GLU N N 83 121.031 121.031 125.181 -4.150 17536 2767 1 10 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.660 -3.181 17536 2768 1 10 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.754 2.002 17536 2769 1 10 . 1 1 83 83 GLU H H 83 9.316 9.316 8.354 0.962 17536 2770 1 10 . 1 1 84 84 GLU N N 84 119.223 119.223 118.770 0.453 17536 2771 1 10 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.414 1.445 17536 2772 1 10 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.037 -1.135 17536 2773 1 10 . 1 1 84 84 GLU H H 84 8.303 8.303 8.434 -0.131 17536 2774 1 10 . 1 1 85 85 GLU N N 85 118.921 118.921 117.756 1.165 17536 2775 1 10 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.823 1.212 17536 2776 1 10 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.203 -3.576 17536 2777 1 10 . 1 1 85 85 GLU H H 85 9.445 9.445 8.948 0.497 17536 2778 1 10 . 1 1 86 86 ASP N N 86 120.152 120.152 118.182 1.970 17536 2779 1 10 . 1 1 86 86 ASP CA C 86 55.429 55.429 55.933 -0.504 17536 2780 1 10 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.687 -0.390 17536 2781 1 10 . 1 1 86 86 ASP H H 86 8.170 8.170 8.227 -0.057 17536 2782 1 10 . 1 1 87 87 VAL N N 87 117.258 117.258 117.856 -0.598 17536 2783 1 10 . 1 1 87 87 VAL CA C 87 61.006 61.006 60.964 0.042 17536 2784 1 10 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.530 -1.371 17536 2785 1 10 . 1 1 87 87 VAL H H 87 8.189 8.189 8.311 -0.122 17536 2786 1 10 . 1 1 88 88 ILE N N 88 127.588 127.588 123.657 3.931 17536 2787 1 10 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.751 -0.543 17536 2788 1 10 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.037 -2.035 17536 2789 1 10 . 1 1 88 88 ILE H H 88 9.308 9.308 8.140 1.168 17536 2790 1 10 . 1 1 89 89 GLU N N 89 125.759 125.759 125.789 -0.030 17536 2791 1 10 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.498 0.030 17536 2792 1 10 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.920 -0.601 17536 2793 1 10 . 1 1 89 89 GLU H H 89 8.878 8.878 8.402 0.476 17536 2794 1 10 . 1 1 90 90 VAL N N 90 119.884 119.884 123.009 -3.125 17536 2795 1 10 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.379 -1.111 17536 2796 1 10 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.718 -0.643 17536 2797 1 10 . 1 1 90 90 VAL H H 90 7.842 7.842 7.814 0.028 17536 2798 1 10 . 1 1 91 91 TYR N N 91 124.563 124.563 125.028 -0.465 17536 2799 1 10 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.567 -0.826 17536 2800 1 10 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.634 0.009 17536 2801 1 10 . 1 1 91 91 TYR H H 91 8.575 8.575 9.038 -0.463 17536 2802 1 10 . 1 1 92 92 GLN N N 92 120.648 120.648 123.038 -2.390 17536 2803 1 10 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.376 -0.655 17536 2804 1 10 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.136 -0.780 17536 2805 1 10 . 1 1 92 92 GLN H H 92 8.745 8.745 8.608 0.137 17536 2806 1 10 . 1 1 93 93 GLU N N 93 124.997 124.997 127.772 -2.775 17536 2807 1 10 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.600 -1.009 17536 2808 1 10 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.783 -1.327 17536 2809 1 10 . 1 1 93 93 GLU H H 93 8.435 8.435 8.789 -0.354 17536 2810 1 10 . 1 1 94 94 GLN N N 94 122.830 122.830 123.165 -0.335 17536 2811 1 10 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.025 0.337 17536 2812 1 10 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.995 -2.386 17536 2813 1 10 . 1 1 94 94 GLN H H 94 8.752 8.752 8.190 0.562 17536 2814 1 10 . 1 1 95 95 THR N N 95 116.050 116.050 111.776 4.274 17536 2815 1 10 . 1 1 95 95 THR CA C 95 61.600 61.600 60.710 0.890 17536 2816 1 10 . 1 1 95 95 THR CB C 95 69.218 69.218 70.235 -1.017 17536 2817 1 10 . 1 1 95 95 THR H H 95 8.370 8.370 8.165 0.205 17536 2818 1 10 . 1 1 96 96 GLY N N 96 111.777 111.777 108.746 3.031 17536 2819 1 10 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.739 -0.020 17536 2820 1 10 . 1 1 96 96 GLY H H 96 8.471 8.471 8.376 0.095 17536 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 74 4.178 0.297 4.196 17536 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17536 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17536 4 1 1 "Average Difference" CA 68 1.251 0.496 1.157 17536 5 1 1 "Average Difference" CB 66 1.980 0.841 1.807 17536 6 1 1 "Average Difference" HN 74 0.640 -0.275 0.581 17536 7 1 2 "Average Difference" N 74 4.215 0.285 4.234 17536 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17536 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17536 10 1 2 "Average Difference" CA 68 1.249 0.445 1.176 17536 11 1 2 "Average Difference" CB 66 2.030 0.796 1.882 17536 12 1 2 "Average Difference" HN 74 0.641 -0.263 0.589 17536 13 1 3 "Average Difference" N 74 4.291 0.358 4.305 17536 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17536 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17536 16 1 3 "Average Difference" CA 68 1.246 0.525 1.139 17536 17 1 3 "Average Difference" CB 66 2.010 0.841 1.840 17536 18 1 3 "Average Difference" HN 74 0.588 -0.244 0.538 17536 19 1 4 "Average Difference" N 74 4.219 0.365 4.231 17536 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17536 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17536 22 1 4 "Average Difference" CA 68 1.235 0.497 1.139 17536 23 1 4 "Average Difference" CB 66 2.029 0.821 1.870 17536 24 1 4 "Average Difference" HN 74 0.598 -0.239 0.553 17536 25 1 5 "Average Difference" N 74 4.108 0.262 4.127 17536 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17536 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17536 28 1 5 "Average Difference" CA 68 1.202 0.457 1.120 17536 29 1 5 "Average Difference" CB 66 1.985 0.849 1.808 17536 30 1 5 "Average Difference" HN 74 0.624 -0.263 0.570 17536 31 1 6 "Average Difference" N 74 4.196 0.391 4.207 17536 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17536 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17536 34 1 6 "Average Difference" CA 68 1.203 0.455 1.121 17536 35 1 6 "Average Difference" CB 66 2.017 0.873 1.832 17536 36 1 6 "Average Difference" HN 74 0.626 -0.256 0.575 17536 37 1 7 "Average Difference" N 74 4.018 0.423 4.023 17536 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17536 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17536 40 1 7 "Average Difference" CA 68 1.243 0.479 1.156 17536 41 1 7 "Average Difference" CB 66 1.952 0.776 1.805 17536 42 1 7 "Average Difference" HN 74 0.659 -0.262 0.608 17536 43 1 8 "Average Difference" N 74 4.197 0.293 4.215 17536 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17536 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17536 46 1 8 "Average Difference" CA 68 1.192 0.424 1.122 17536 47 1 8 "Average Difference" CB 66 2.020 0.851 1.846 17536 48 1 8 "Average Difference" HN 74 0.601 -0.243 0.554 17536 49 1 9 "Average Difference" N 74 4.194 0.410 4.203 17536 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17536 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17536 52 1 9 "Average Difference" CA 68 1.246 0.513 1.144 17536 53 1 9 "Average Difference" CB 66 2.013 0.794 1.864 17536 54 1 9 "Average Difference" HN 74 0.629 -0.247 0.582 17536 55 1 10 "Average Difference" N 74 4.231 0.380 4.243 17536 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17536 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17536 58 1 10 "Average Difference" CA 68 1.173 0.467 1.084 17536 59 1 10 "Average Difference" CB 66 1.998 0.784 1.852 17536 60 1 10 "Average Difference" HN 74 0.635 -0.261 0.583 17536 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 17536 _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 21 21 TYR N N 21 118.396 118.396 119.969 -1.573 17536 2 1 . 1 1 21 21 TYR CA C 21 57.147 57.147 57.406 -0.259 17536 3 1 . 1 1 21 21 TYR CB C 21 40.823 40.823 39.903 0.920 17536 4 1 . 1 1 21 21 TYR H H 21 8.286 8.286 7.999 0.287 17536 5 1 . 1 1 22 22 ILE N N 22 116.826 116.826 119.561 -2.735 17536 6 1 . 1 1 22 22 ILE CA C 22 59.199 59.199 59.616 -0.417 17536 7 1 . 1 1 22 22 ILE CB C 22 41.725 41.725 40.749 0.976 17536 8 1 . 1 1 22 22 ILE H H 22 9.062 9.062 8.502 0.560 17536 9 1 . 1 1 23 23 LYS N N 23 125.020 125.020 125.762 -0.742 17536 10 1 . 1 1 23 23 LYS CA C 23 54.061 54.061 55.657 -1.596 17536 11 1 . 1 1 23 23 LYS CB C 23 32.594 32.594 32.460 0.134 17536 12 1 . 1 1 23 23 LYS H H 23 8.626 8.626 8.486 0.140 17536 13 1 . 1 1 24 24 LEU N N 24 125.519 125.519 128.393 -2.874 17536 14 1 . 1 1 24 24 LEU CA C 24 52.143 52.143 53.748 -1.605 17536 15 1 . 1 1 24 24 LEU CB C 24 33.273 33.273 42.995 -9.723 17536 16 1 . 1 1 24 24 LEU H H 24 9.235 9.235 8.482 0.753 17536 17 1 . 1 1 25 25 LYS N N 25 120.608 120.608 125.960 -5.352 17536 18 1 . 1 1 25 25 LYS CA C 25 54.978 54.978 56.432 -1.454 17536 19 1 . 1 1 25 25 LYS CB C 25 33.058 33.058 32.400 0.658 17536 20 1 . 1 1 25 25 LYS H H 25 8.769 8.769 8.227 0.542 17536 21 1 . 1 1 26 26 VAL N N 26 124.031 124.031 126.639 -2.608 17536 22 1 . 1 1 26 26 VAL CA C 26 61.238 61.238 61.707 -0.469 17536 23 1 . 1 1 26 26 VAL CB C 26 31.020 31.020 30.558 0.462 17536 24 1 . 1 1 26 26 VAL H H 26 9.330 9.330 7.994 1.336 17536 25 1 . 1 1 27 27 ILE N N 27 128.203 128.203 128.618 -0.415 17536 26 1 . 1 1 27 27 ILE CA C 27 59.748 59.748 60.455 -0.707 17536 27 1 . 1 1 27 27 ILE CB C 27 39.649 39.649 38.728 0.921 17536 28 1 . 1 1 27 27 ILE H H 27 8.996 8.996 7.907 1.089 17536 29 1 . 1 1 28 28 GLY N N 28 113.380 113.380 114.294 -0.914 17536 30 1 . 1 1 28 28 GLY CA C 28 43.526 43.526 44.282 -0.756 17536 31 1 . 1 1 28 28 GLY H H 28 8.520 8.520 8.341 0.179 17536 32 1 . 1 1 29 29 GLN N N 29 120.798 120.798 118.382 2.416 17536 33 1 . 1 1 29 29 GLN CA C 29 57.113 57.113 55.799 1.314 17536 34 1 . 1 1 29 29 GLN CB C 29 27.723 27.723 28.183 -0.460 17536 35 1 . 1 1 29 29 GLN H H 29 8.683 8.683 8.586 0.097 17536 36 1 . 1 1 30 30 ASP N N 30 118.553 118.553 118.526 0.027 17536 37 1 . 1 1 30 30 ASP CA C 30 52.889 52.889 53.756 -0.867 17536 38 1 . 1 1 30 30 ASP CB C 30 39.011 39.011 39.916 -0.905 17536 39 1 . 1 1 30 30 ASP H H 30 8.427 8.427 7.826 0.601 17536 40 1 . 1 1 31 31 SER N N 31 111.431 111.431 114.474 -3.043 17536 41 1 . 1 1 31 31 SER CA C 31 60.317 60.317 59.634 0.683 17536 42 1 . 1 1 31 31 SER CB C 31 61.567 61.567 63.179 -1.612 17536 43 1 . 1 1 31 31 SER H H 31 7.998 7.998 8.600 -0.602 17536 44 1 . 1 1 32 32 SER N N 32 117.290 117.290 117.619 -0.329 17536 45 1 . 1 1 32 32 SER CA C 32 58.422 58.422 57.967 0.455 17536 46 1 . 1 1 32 32 SER CB C 32 63.318 63.318 63.413 -0.095 17536 47 1 . 1 1 32 32 SER H H 32 7.981 7.981 7.871 0.110 17536 48 1 . 1 1 33 33 GLU N N 33 121.975 121.975 128.918 -6.943 17536 49 1 . 1 1 33 33 GLU CA C 33 55.679 55.679 54.886 0.793 17536 50 1 . 1 1 33 33 GLU CB C 33 37.874 37.874 32.239 5.635 17536 51 1 . 1 1 33 33 GLU H H 33 8.661 8.661 8.242 0.419 17536 52 1 . 1 1 34 34 ILE N N 34 124.052 124.052 124.171 -0.119 17536 53 1 . 1 1 34 34 ILE H H 34 8.912 8.912 8.311 0.601 17536 54 1 . 1 1 35 35 HIS N N 35 126.451 126.451 124.325 2.126 17536 55 1 . 1 1 35 35 HIS CB C 35 33.257 33.257 30.819 2.438 17536 56 1 . 1 1 35 35 HIS H H 35 9.311 9.311 8.534 0.777 17536 57 1 . 1 1 36 36 PHE N N 36 121.806 121.806 125.095 -3.289 17536 58 1 . 1 1 36 36 PHE H H 36 9.521 9.521 8.609 0.912 17536 59 1 . 1 1 37 37 LYS N N 37 121.707 121.707 125.341 -3.634 17536 60 1 . 1 1 37 37 LYS CA C 37 55.715 55.715 55.353 0.362 17536 61 1 . 1 1 37 37 LYS CB C 37 33.375 33.375 33.848 -0.473 17536 62 1 . 1 1 37 37 LYS H H 37 9.572 9.572 8.553 1.020 17536 63 1 . 1 1 38 38 VAL N N 38 120.042 120.042 124.974 -4.932 17536 64 1 . 1 1 38 38 VAL CA C 38 58.634 58.634 60.369 -1.735 17536 65 1 . 1 1 38 38 VAL CB C 38 34.833 34.833 34.338 0.495 17536 66 1 . 1 1 38 38 VAL H H 38 9.127 9.127 8.260 0.867 17536 67 1 . 1 1 39 39 LYS N N 39 123.275 123.275 125.075 -1.800 17536 68 1 . 1 1 39 39 LYS CA C 39 56.199 56.199 56.119 0.081 17536 69 1 . 1 1 39 39 LYS CB C 39 31.498 31.498 33.056 -1.558 17536 70 1 . 1 1 39 39 LYS H H 39 8.112 8.112 8.513 -0.401 17536 71 1 . 1 1 40 40 MET N N 40 119.217 119.217 121.040 -1.822 17536 72 1 . 1 1 40 40 MET CA C 40 56.982 56.982 57.435 -0.453 17536 73 1 . 1 1 40 40 MET CB C 40 30.542 30.542 32.542 -2.000 17536 74 1 . 1 1 40 40 MET H H 40 8.436 8.436 8.393 0.043 17536 75 1 . 1 1 41 41 THR N N 41 126.854 126.854 110.624 16.230 17536 76 1 . 1 1 41 41 THR CA C 41 59.606 59.606 62.173 -2.567 17536 77 1 . 1 1 41 41 THR CB C 41 68.156 68.156 69.172 -1.016 17536 78 1 . 1 1 41 41 THR H H 41 6.958 6.958 7.942 -0.984 17536 79 1 . 1 1 42 42 THR N N 42 122.773 122.773 116.525 6.248 17536 80 1 . 1 1 42 42 THR CB C 42 69.362 69.362 70.733 -1.370 17536 81 1 . 1 1 42 42 THR H H 42 7.452 7.452 7.369 0.083 17536 82 1 . 1 1 43 43 HIS N N 43 124.643 124.643 119.764 4.879 17536 83 1 . 1 1 43 43 HIS CA C 43 55.718 55.718 56.130 -0.412 17536 84 1 . 1 1 43 43 HIS CB C 43 29.072 29.072 30.797 -1.725 17536 85 1 . 1 1 43 43 HIS H H 43 8.544 8.544 8.272 0.272 17536 86 1 . 1 1 44 44 LEU N N 44 124.399 124.399 120.825 3.575 17536 87 1 . 1 1 44 44 LEU CA C 44 57.612 57.612 56.064 1.548 17536 88 1 . 1 1 44 44 LEU CB C 44 39.728 39.728 41.394 -1.666 17536 89 1 . 1 1 44 44 LEU H H 44 9.406 9.406 8.371 1.035 17536 90 1 . 1 1 45 45 LYS N N 45 122.482 122.482 120.026 2.455 17536 91 1 . 1 1 45 45 LYS H H 45 8.871 8.871 8.463 0.408 17536 92 1 . 1 1 46 46 LYS N N 46 114.179 114.179 118.559 -4.380 17536 93 1 . 1 1 46 46 LYS H H 46 8.202 8.202 7.566 0.636 17536 94 1 . 1 1 47 47 LEU N N 47 120.590 120.590 120.908 -0.318 17536 95 1 . 1 1 47 47 LEU CA C 47 57.776 57.776 58.308 -0.532 17536 96 1 . 1 1 47 47 LEU CB C 47 41.521 41.521 41.868 -0.347 17536 97 1 . 1 1 47 47 LEU H H 47 6.773 6.773 7.682 -0.909 17536 98 1 . 1 1 48 48 LYS N N 48 118.663 118.663 119.239 -0.576 17536 99 1 . 1 1 48 48 LYS CA C 48 59.258 59.258 59.630 -0.371 17536 100 1 . 1 1 48 48 LYS CB C 48 31.121 31.121 32.138 -1.017 17536 101 1 . 1 1 48 48 LYS H H 48 7.643 7.643 7.632 0.011 17536 102 1 . 1 1 49 49 GLU N N 49 117.638 117.638 119.428 -1.789 17536 103 1 . 1 1 49 49 GLU CB C 49 29.110 29.110 29.701 -0.591 17536 104 1 . 1 1 49 49 GLU H H 49 8.573 8.573 8.010 0.562 17536 105 1 . 1 1 50 50 SER N N 50 114.362 114.362 116.149 -1.787 17536 106 1 . 1 1 50 50 SER H H 50 7.402 7.402 8.125 -0.724 17536 107 1 . 1 1 51 51 TYR N N 51 120.627 120.627 122.847 -2.220 17536 108 1 . 1 1 51 51 TYR CA C 51 63.014 63.014 61.348 1.666 17536 109 1 . 1 1 51 51 TYR CB C 51 37.763 37.763 38.820 -1.057 17536 110 1 . 1 1 51 51 TYR H H 51 8.770 8.770 7.993 0.777 17536 111 1 . 1 1 52 52 CYS N N 52 117.068 117.068 116.577 0.491 17536 112 1 . 1 1 52 52 CYS CA C 52 64.636 64.636 63.059 1.577 17536 113 1 . 1 1 52 52 CYS CB C 52 25.452 25.452 27.907 -2.455 17536 114 1 . 1 1 52 52 CYS H H 52 8.814 8.814 7.974 0.840 17536 115 1 . 1 1 53 53 GLN N N 53 119.373 119.373 119.509 -0.136 17536 116 1 . 1 1 53 53 GLN CA C 53 58.386 58.386 58.083 0.303 17536 117 1 . 1 1 53 53 GLN CB C 53 27.352 27.352 28.031 -0.679 17536 118 1 . 1 1 53 53 GLN H H 53 8.357 8.357 8.046 0.310 17536 119 1 . 1 1 54 54 ARG N N 54 120.169 120.169 118.402 1.767 17536 120 1 . 1 1 54 54 ARG CA C 54 57.131 57.131 56.653 0.478 17536 121 1 . 1 1 54 54 ARG CB C 54 28.037 28.037 30.329 -2.292 17536 122 1 . 1 1 54 54 ARG H H 54 7.932 7.932 7.770 0.162 17536 123 1 . 1 1 55 55 GLN N N 55 114.184 114.184 116.955 -2.771 17536 124 1 . 1 1 55 55 GLN CA C 55 55.016 55.016 55.155 -0.139 17536 125 1 . 1 1 55 55 GLN CB C 55 28.691 28.691 29.846 -1.155 17536 126 1 . 1 1 55 55 GLN H H 55 7.869 7.869 7.378 0.491 17536 127 1 . 1 1 56 56 GLY N N 56 109.634 109.634 108.796 0.838 17536 128 1 . 1 1 56 56 GLY CA C 56 46.004 46.004 45.744 0.260 17536 129 1 . 1 1 56 56 GLY H H 56 7.935 7.935 7.780 0.156 17536 130 1 . 1 1 57 57 VAL N N 57 112.345 112.345 120.775 -8.430 17536 131 1 . 1 1 57 57 VAL CA C 57 57.215 57.215 58.909 -1.694 17536 132 1 . 1 1 57 57 VAL CB C 57 32.205 32.205 35.349 -3.144 17536 133 1 . 1 1 57 57 VAL H H 57 7.680 7.680 7.626 0.054 17536 134 1 . 1 1 58 58 PRO CA C 58 61.840 61.840 63.160 -1.320 17536 135 1 . 1 1 58 58 PRO CB C 58 31.147 31.147 32.582 -1.435 17536 136 1 . 1 1 59 59 MET N N 59 124.540 124.540 122.255 2.285 17536 137 1 . 1 1 59 59 MET CA C 59 57.840 57.840 58.521 -0.681 17536 138 1 . 1 1 59 59 MET CB C 59 31.677 31.677 32.414 -0.737 17536 139 1 . 1 1 59 59 MET H H 59 8.991 8.991 8.650 0.341 17536 140 1 . 1 1 60 60 ASN N N 60 113.019 113.019 114.434 -1.415 17536 141 1 . 1 1 60 60 ASN CA C 60 53.605 53.605 55.241 -1.636 17536 142 1 . 1 1 60 60 ASN CB C 60 36.512 36.512 37.772 -1.260 17536 143 1 . 1 1 60 60 ASN H H 60 8.412 8.412 8.122 0.290 17536 144 1 . 1 1 61 61 SER N N 61 113.126 113.126 115.943 -2.817 17536 145 1 . 1 1 61 61 SER CA C 61 59.328 59.328 61.029 -1.701 17536 146 1 . 1 1 61 61 SER CB C 61 64.220 64.220 63.506 0.714 17536 147 1 . 1 1 61 61 SER H H 61 7.938 7.938 8.221 -0.283 17536 148 1 . 1 1 62 62 LEU N N 62 120.885 120.885 116.263 4.622 17536 149 1 . 1 1 62 62 LEU CA C 62 53.251 53.251 53.824 -0.573 17536 150 1 . 1 1 62 62 LEU CB C 62 45.202 45.202 43.374 1.828 17536 151 1 . 1 1 62 62 LEU H H 62 7.264 7.264 7.346 -0.082 17536 152 1 . 1 1 63 63 ARG N N 63 120.159 120.159 118.145 2.014 17536 153 1 . 1 1 63 63 ARG CA C 63 53.970 53.970 55.688 -1.718 17536 154 1 . 1 1 63 63 ARG CB C 63 32.045 32.045 32.987 -0.942 17536 155 1 . 1 1 63 63 ARG H H 63 9.050 9.050 7.862 1.188 17536 156 1 . 1 1 64 64 PHE N N 64 122.440 122.440 122.897 -0.457 17536 157 1 . 1 1 64 64 PHE CA C 64 55.866 55.866 55.976 -0.110 17536 158 1 . 1 1 64 64 PHE CB C 64 39.765 39.765 41.511 -1.746 17536 159 1 . 1 1 64 64 PHE H H 64 8.880 8.880 9.004 -0.124 17536 160 1 . 1 1 65 65 LEU N N 65 124.383 124.383 118.561 5.822 17536 161 1 . 1 1 65 65 LEU CA C 65 53.405 53.405 53.728 -0.323 17536 162 1 . 1 1 65 65 LEU CB C 65 45.205 45.205 45.805 -0.600 17536 163 1 . 1 1 65 65 LEU H H 65 9.773 9.773 9.085 0.688 17536 164 1 . 1 1 66 66 PHE N N 66 119.605 119.605 120.054 -0.449 17536 165 1 . 1 1 66 66 PHE CA C 66 55.779 55.779 56.721 -0.942 17536 166 1 . 1 1 66 66 PHE CB C 66 40.857 40.857 43.065 -2.208 17536 167 1 . 1 1 66 66 PHE H H 66 9.020 9.020 9.003 0.017 17536 168 1 . 1 1 67 67 GLU N N 67 129.259 129.259 123.032 6.227 17536 169 1 . 1 1 67 67 GLU CA C 67 56.322 56.322 56.920 -0.598 17536 170 1 . 1 1 67 67 GLU CB C 67 25.900 25.900 28.038 -2.138 17536 171 1 . 1 1 67 67 GLU H H 67 9.372 9.372 8.820 0.553 17536 172 1 . 1 1 68 68 GLY N N 68 106.230 106.230 104.175 2.055 17536 173 1 . 1 1 68 68 GLY CA C 68 44.815 44.815 45.185 -0.370 17536 174 1 . 1 1 68 68 GLY H H 68 8.852 8.852 8.587 0.265 17536 175 1 . 1 1 69 69 GLN N N 69 120.665 120.665 121.283 -0.618 17536 176 1 . 1 1 69 69 GLN CA C 69 53.507 53.507 55.160 -1.653 17536 177 1 . 1 1 69 69 GLN CB C 69 29.775 29.775 29.656 0.119 17536 178 1 . 1 1 69 69 GLN H H 69 8.012 8.012 7.786 0.226 17536 179 1 . 1 1 70 70 ARG N N 70 124.728 124.728 122.237 2.491 17536 180 1 . 1 1 70 70 ARG CA C 70 56.836 56.836 57.669 -0.832 17536 181 1 . 1 1 70 70 ARG CB C 70 29.377 29.377 30.974 -1.597 17536 182 1 . 1 1 70 70 ARG H H 70 8.798 8.798 8.553 0.245 17536 183 1 . 1 1 71 71 ILE N N 71 126.508 126.508 121.404 5.104 17536 184 1 . 1 1 71 71 ILE CA C 71 61.022 61.022 60.541 0.481 17536 185 1 . 1 1 71 71 ILE CB C 71 37.926 37.926 39.679 -1.753 17536 186 1 . 1 1 71 71 ILE H H 71 8.963 8.963 7.921 1.042 17536 187 1 . 1 1 72 72 ALA N N 72 112.644 112.644 130.551 -17.907 17536 188 1 . 1 1 72 72 ALA CA C 72 50.184 50.184 52.255 -2.071 17536 189 1 . 1 1 72 72 ALA CB C 72 17.562 17.562 19.543 -1.981 17536 190 1 . 1 1 72 72 ALA H H 72 10.898 10.898 9.041 1.857 17536 191 1 . 1 1 73 73 ASP N N 73 120.048 120.048 119.342 0.706 17536 192 1 . 1 1 73 73 ASP CA C 73 56.541 56.541 55.949 0.592 17536 193 1 . 1 1 73 73 ASP CB C 73 39.479 39.479 41.162 -1.683 17536 194 1 . 1 1 73 73 ASP H H 73 8.703 8.703 8.693 0.009 17536 195 1 . 1 1 74 74 ASN N N 74 109.993 109.993 113.139 -3.146 17536 196 1 . 1 1 74 74 ASN CA C 74 51.678 51.678 52.668 -0.990 17536 197 1 . 1 1 74 74 ASN CB C 74 36.682 36.682 38.833 -2.151 17536 198 1 . 1 1 74 74 ASN H H 74 7.816 7.816 7.914 -0.098 17536 199 1 . 1 1 75 75 HIS N N 75 119.905 119.905 120.453 -0.548 17536 200 1 . 1 1 75 75 HIS CA C 75 56.092 56.092 58.374 -2.282 17536 201 1 . 1 1 75 75 HIS CB C 75 32.717 32.717 30.726 1.991 17536 202 1 . 1 1 75 75 HIS H H 75 7.130 7.130 7.325 -0.195 17536 203 1 . 1 1 76 76 THR N N 76 108.552 108.552 113.960 -5.408 17536 204 1 . 1 1 76 76 THR CA C 76 57.324 57.324 61.588 -4.264 17536 205 1 . 1 1 76 76 THR CB C 76 69.679 69.679 70.547 -0.868 17536 206 1 . 1 1 76 76 THR H H 76 7.230 7.230 8.601 -1.371 17536 207 1 . 1 1 77 77 PRO CA C 77 65.272 65.272 65.160 0.112 17536 208 1 . 1 1 77 77 PRO CB C 77 31.616 31.616 31.640 -0.024 17536 209 1 . 1 1 78 78 LYS N N 78 115.253 115.253 117.094 -1.841 17536 210 1 . 1 1 78 78 LYS CA C 78 58.496 58.496 58.893 -0.397 17536 211 1 . 1 1 78 78 LYS CB C 78 31.646 31.646 32.015 -0.369 17536 212 1 . 1 1 78 78 LYS H H 78 8.021 8.021 8.231 -0.210 17536 213 1 . 1 1 79 79 GLU N N 79 120.837 120.837 116.573 4.264 17536 214 1 . 1 1 79 79 GLU CA C 79 58.384 58.384 57.350 1.033 17536 215 1 . 1 1 79 79 GLU CB C 79 29.247 29.247 30.854 -1.607 17536 216 1 . 1 1 79 79 GLU H H 79 7.992 7.992 8.677 -0.685 17536 217 1 . 1 1 80 80 LEU N N 80 115.222 115.222 118.831 -3.609 17536 218 1 . 1 1 80 80 LEU CA C 80 54.040 54.040 55.262 -1.222 17536 219 1 . 1 1 80 80 LEU CB C 80 41.395 41.395 42.736 -1.341 17536 220 1 . 1 1 80 80 LEU H H 80 7.507 7.507 7.643 -0.136 17536 221 1 . 1 1 81 81 GLY N N 81 108.030 108.030 107.454 0.576 17536 222 1 . 1 1 81 81 GLY CA C 81 45.929 45.929 45.961 -0.032 17536 223 1 . 1 1 81 81 GLY H H 81 7.656 7.656 7.864 -0.208 17536 224 1 . 1 1 82 82 MET N N 82 117.690 117.690 118.900 -1.210 17536 225 1 . 1 1 82 82 MET CA C 82 56.371 56.371 56.212 0.159 17536 226 1 . 1 1 82 82 MET CB C 82 33.507 33.507 32.315 1.192 17536 227 1 . 1 1 82 82 MET H H 82 7.646 7.646 7.745 -0.099 17536 228 1 . 1 1 83 83 GLU N N 83 121.031 121.031 125.079 -4.048 17536 229 1 . 1 1 83 83 GLU CA C 83 53.479 53.479 56.499 -3.020 17536 230 1 . 1 1 83 83 GLU CB C 83 32.756 32.756 30.849 1.907 17536 231 1 . 1 1 83 83 GLU H H 83 9.316 9.316 8.325 0.991 17536 232 1 . 1 1 84 84 GLU N N 84 119.223 119.223 118.882 0.341 17536 233 1 . 1 1 84 84 GLU CA C 84 57.859 57.859 56.507 1.352 17536 234 1 . 1 1 84 84 GLU CB C 84 28.902 28.902 30.065 -1.163 17536 235 1 . 1 1 84 84 GLU H H 84 8.303 8.303 8.378 -0.075 17536 236 1 . 1 1 85 85 GLU N N 85 118.921 118.921 117.542 1.379 17536 237 1 . 1 1 85 85 GLU CA C 85 59.035 59.035 57.915 1.120 17536 238 1 . 1 1 85 85 GLU CB C 85 25.627 25.627 29.102 -3.476 17536 239 1 . 1 1 85 85 GLU H H 85 9.445 9.445 8.750 0.694 17536 240 1 . 1 1 86 86 ASP N N 86 120.152 120.152 117.627 2.525 17536 241 1 . 1 1 86 86 ASP CA C 86 55.429 55.429 56.098 -0.669 17536 242 1 . 1 1 86 86 ASP CB C 86 41.297 41.297 41.723 -0.426 17536 243 1 . 1 1 86 86 ASP H H 86 8.170 8.170 8.099 0.071 17536 244 1 . 1 1 87 87 VAL N N 87 117.258 117.258 117.992 -0.734 17536 245 1 . 1 1 87 87 VAL CA C 87 61.006 61.006 61.211 -0.205 17536 246 1 . 1 1 87 87 VAL CB C 87 34.159 34.159 35.341 -1.182 17536 247 1 . 1 1 87 87 VAL H H 87 8.189 8.189 8.309 -0.120 17536 248 1 . 1 1 88 88 ILE N N 88 127.588 127.588 123.772 3.816 17536 249 1 . 1 1 88 88 ILE CA C 88 59.208 59.208 59.760 -0.552 17536 250 1 . 1 1 88 88 ILE CB C 88 40.002 40.002 42.051 -2.049 17536 251 1 . 1 1 88 88 ILE H H 88 9.308 9.308 8.511 0.797 17536 252 1 . 1 1 89 89 GLU N N 89 125.759 125.759 125.524 0.235 17536 253 1 . 1 1 89 89 GLU CA C 89 54.528 54.528 54.635 -0.107 17536 254 1 . 1 1 89 89 GLU CB C 89 32.319 32.319 32.809 -0.490 17536 255 1 . 1 1 89 89 GLU H H 89 8.878 8.878 8.336 0.542 17536 256 1 . 1 1 90 90 VAL N N 90 119.884 119.884 123.276 -3.392 17536 257 1 . 1 1 90 90 VAL CA C 90 59.268 59.268 60.455 -1.187 17536 258 1 . 1 1 90 90 VAL CB C 90 33.075 33.075 33.594 -0.519 17536 259 1 . 1 1 90 90 VAL H H 90 7.842 7.842 7.806 0.036 17536 260 1 . 1 1 91 91 TYR N N 91 124.563 124.563 124.409 0.154 17536 261 1 . 1 1 91 91 TYR CA C 91 55.741 55.741 56.533 -0.792 17536 262 1 . 1 1 91 91 TYR CB C 91 41.643 41.643 41.741 -0.098 17536 263 1 . 1 1 91 91 TYR H H 91 8.575 8.575 9.020 -0.445 17536 264 1 . 1 1 92 92 GLN N N 92 120.648 120.648 123.017 -2.369 17536 265 1 . 1 1 92 92 GLN CA C 92 55.721 55.721 56.370 -0.648 17536 266 1 . 1 1 92 92 GLN CB C 92 28.356 28.356 29.134 -0.778 17536 267 1 . 1 1 92 92 GLN H H 92 8.745 8.745 8.601 0.144 17536 268 1 . 1 1 93 93 GLU N N 93 124.997 124.997 127.766 -2.769 17536 269 1 . 1 1 93 93 GLU CA C 93 55.591 55.591 56.597 -1.006 17536 270 1 . 1 1 93 93 GLU CB C 93 29.456 29.456 30.780 -1.324 17536 271 1 . 1 1 93 93 GLU H H 93 8.435 8.435 8.784 -0.349 17536 272 1 . 1 1 94 94 GLN N N 94 122.830 122.830 123.165 -0.335 17536 273 1 . 1 1 94 94 GLN CA C 94 55.362 55.362 55.022 0.341 17536 274 1 . 1 1 94 94 GLN CB C 94 28.609 28.609 30.995 -2.386 17536 275 1 . 1 1 94 94 GLN H H 94 8.752 8.752 8.187 0.565 17536 276 1 . 1 1 95 95 THR N N 95 116.050 116.050 111.773 4.277 17536 277 1 . 1 1 95 95 THR CA C 95 61.600 61.600 60.710 0.891 17536 278 1 . 1 1 95 95 THR CB C 95 69.218 69.218 70.234 -1.016 17536 279 1 . 1 1 95 95 THR H H 95 8.370 8.370 8.164 0.206 17536 280 1 . 1 1 96 96 GLY N N 96 111.777 111.777 108.748 3.029 17536 281 1 . 1 1 96 96 GLY CA C 96 44.719 44.719 44.739 -0.019 17536 282 1 . 1 1 96 96 GLY H H 96 8.471 8.471 8.375 0.096 17536 stop_ save_