data_18504 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18504 _Entry.PDB_ID 2LU1 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 18504 _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 27 27 SER HA H 27 4.339 4.339 4.723 -0.384 18504 2 1 1 . 1 1 27 27 SER C C 27 175.743 175.743 172.514 3.229 18504 3 1 1 . 1 1 27 27 SER CA C 27 60.497 60.497 58.366 2.131 18504 4 1 1 . 1 1 27 27 SER CB C 27 63.659 63.659 64.778 -1.119 18504 5 1 1 . 1 1 28 28 LYS N N 28 118.099 118.099 124.008 -5.909 18504 6 1 1 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.545 0.673 18504 7 1 1 . 1 1 28 28 LYS C C 28 175.699 175.699 175.454 0.245 18504 8 1 1 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.927 -0.382 18504 9 1 1 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.843 1.070 18504 10 1 1 . 1 1 28 28 LYS H H 28 7.785 7.785 8.518 -0.733 18504 11 1 1 . 1 1 29 29 GLN N N 29 122.481 122.481 124.853 -2.372 18504 12 1 1 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.736 0.002 18504 13 1 1 . 1 1 29 29 GLN C C 29 174.277 174.277 173.947 0.330 18504 14 1 1 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.385 1.140 18504 15 1 1 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.355 -0.485 18504 16 1 1 . 1 1 29 29 GLN H H 29 9.283 9.283 8.464 0.819 18504 17 1 1 . 1 1 30 30 GLU N N 30 122.881 122.881 120.137 2.744 18504 18 1 1 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.787 -0.511 18504 19 1 1 . 1 1 30 30 GLU C C 30 173.313 173.313 175.063 -1.750 18504 20 1 1 . 1 1 30 30 GLU CA C 30 55.954 55.954 55.058 0.896 18504 21 1 1 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.928 -0.874 18504 22 1 1 . 1 1 30 30 GLU H H 30 9.188 9.188 8.486 0.702 18504 23 1 1 . 1 1 31 31 LEU N N 31 130.328 130.328 124.469 5.859 18504 24 1 1 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.629 -0.336 18504 25 1 1 . 1 1 31 31 LEU C C 31 171.909 171.909 176.393 -4.484 18504 26 1 1 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.696 -0.415 18504 27 1 1 . 1 1 31 31 LEU CB C 31 42.450 42.450 43.688 -1.238 18504 28 1 1 . 1 1 31 31 LEU H H 31 9.016 9.016 8.128 0.888 18504 29 1 1 . 1 1 32 32 ILE N N 32 120.632 120.632 122.074 -1.442 18504 30 1 1 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.156 1.372 18504 31 1 1 . 1 1 32 32 ILE C C 32 175.735 175.735 175.329 0.406 18504 32 1 1 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.962 -1.738 18504 33 1 1 . 1 1 32 32 ILE CB C 32 36.625 36.625 37.166 -0.541 18504 34 1 1 . 1 1 32 32 ILE H H 32 8.738 8.738 8.175 0.563 18504 35 1 1 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.557 -0.560 18504 36 1 1 . 1 1 33 33 LEU C C 33 180.030 180.030 175.903 4.127 18504 37 1 1 . 1 1 33 33 LEU CA C 33 58.333 58.333 55.071 3.262 18504 38 1 1 . 1 1 33 33 LEU CB C 33 41.433 41.433 43.907 -2.474 18504 39 1 1 . 1 1 34 34 VAL N N 34 124.025 124.025 119.372 4.653 18504 40 1 1 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.407 -0.790 18504 41 1 1 . 1 1 34 34 VAL C C 34 178.222 178.222 174.672 3.550 18504 42 1 1 . 1 1 34 34 VAL CA C 34 66.122 66.122 62.433 3.689 18504 43 1 1 . 1 1 34 34 VAL CB C 34 37.942 37.942 34.358 3.584 18504 44 1 1 . 1 1 34 34 VAL H H 34 7.751 7.751 8.453 -0.702 18504 45 1 1 . 1 1 35 35 LEU N N 35 120.009 120.009 127.060 -7.051 18504 46 1 1 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.692 -0.416 18504 47 1 1 . 1 1 35 35 LEU C C 35 175.855 175.855 176.093 -0.238 18504 48 1 1 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.295 4.080 18504 49 1 1 . 1 1 35 35 LEU CB C 35 43.089 43.089 44.615 -1.526 18504 50 1 1 . 1 1 35 35 LEU H H 35 7.532 7.532 8.475 -0.943 18504 51 1 1 . 1 1 36 36 LYS N N 36 115.805 115.805 119.945 -4.140 18504 52 1 1 . 1 1 36 36 LYS C C 36 178.903 178.903 176.758 2.145 18504 53 1 1 . 1 1 36 36 LYS CA C 36 58.347 58.347 55.501 2.846 18504 54 1 1 . 1 1 36 36 LYS CB C 36 32.903 32.903 34.735 -1.832 18504 55 1 1 . 1 1 36 36 LYS H H 36 7.501 7.501 8.559 -1.058 18504 56 1 1 . 1 1 37 37 GLY N N 37 110.626 110.626 108.001 2.625 18504 57 1 1 . 1 1 37 37 GLY C C 37 174.865 174.865 174.636 0.229 18504 58 1 1 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.782 2.684 18504 59 1 1 . 1 1 37 37 GLY H H 37 8.811 8.811 8.535 0.276 18504 60 1 1 . 1 1 38 38 GLU N N 38 116.098 116.098 120.001 -3.903 18504 61 1 1 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.423 -0.121 18504 62 1 1 . 1 1 38 38 GLU C C 38 176.681 176.681 175.170 1.511 18504 63 1 1 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.220 0.964 18504 64 1 1 . 1 1 38 38 GLU CB C 38 28.829 28.829 29.297 -0.468 18504 65 1 1 . 1 1 38 38 GLU H H 38 8.763 8.763 8.413 0.350 18504 66 1 1 . 1 1 39 39 LEU N N 39 119.439 119.439 120.017 -0.578 18504 67 1 1 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.530 -0.264 18504 68 1 1 . 1 1 39 39 LEU C C 39 176.016 176.016 175.948 0.068 18504 69 1 1 . 1 1 39 39 LEU CA C 39 54.725 54.725 54.489 0.236 18504 70 1 1 . 1 1 39 39 LEU CB C 39 43.602 43.602 43.741 -0.139 18504 71 1 1 . 1 1 39 39 LEU H H 39 7.167 7.167 7.558 -0.391 18504 72 1 1 . 1 1 40 40 ASP N N 40 120.105 120.105 121.589 -1.484 18504 73 1 1 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.815 -0.087 18504 74 1 1 . 1 1 40 40 ASP C C 40 178.198 178.198 174.907 3.291 18504 75 1 1 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.289 -2.099 18504 76 1 1 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.182 -0.625 18504 77 1 1 . 1 1 40 40 ASP H H 40 8.596 8.596 8.581 0.015 18504 78 1 1 . 1 1 41 41 LEU N N 41 125.023 125.023 121.148 3.875 18504 79 1 1 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.200 -0.447 18504 80 1 1 . 1 1 41 41 LEU C C 41 175.113 175.113 175.238 -0.125 18504 81 1 1 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.148 1.519 18504 82 1 1 . 1 1 41 41 LEU CB C 41 39.849 39.849 43.086 -3.236 18504 83 1 1 . 1 1 41 41 LEU H H 41 9.029 9.029 7.474 1.555 18504 84 1 1 . 1 1 42 42 HIS N N 42 113.184 113.184 120.319 -7.135 18504 85 1 1 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.333 0.191 18504 86 1 1 . 1 1 42 42 HIS C C 42 175.855 175.855 174.291 1.564 18504 87 1 1 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.412 -0.496 18504 88 1 1 . 1 1 42 42 HIS CB C 42 30.137 30.137 29.617 0.520 18504 89 1 1 . 1 1 42 42 HIS H H 42 8.065 8.065 8.282 -0.217 18504 90 1 1 . 1 1 43 43 SER N N 43 116.013 116.013 118.962 -2.949 18504 91 1 1 . 1 1 43 43 SER HA H 43 4.524 4.524 4.688 -0.164 18504 92 1 1 . 1 1 43 43 SER C C 43 174.426 174.426 174.827 -0.401 18504 93 1 1 . 1 1 43 43 SER CA C 43 58.206 58.206 58.098 0.108 18504 94 1 1 . 1 1 43 43 SER CB C 43 65.517 65.517 64.394 1.123 18504 95 1 1 . 1 1 43 43 SER H H 43 7.511 7.511 8.782 -1.271 18504 96 1 1 . 1 1 44 44 LYS N N 44 123.332 123.332 127.831 -4.499 18504 97 1 1 . 1 1 44 44 LYS C C 44 177.791 177.791 178.159 -0.368 18504 98 1 1 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.898 0.559 18504 99 1 1 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.598 -2.426 18504 100 1 1 . 1 1 44 44 LYS H H 44 8.846 8.846 8.928 -0.082 18504 101 1 1 . 1 1 45 45 ASN N N 45 118.501 118.501 117.525 0.976 18504 102 1 1 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.380 0.090 18504 103 1 1 . 1 1 45 45 ASN C C 45 177.817 177.817 177.587 0.230 18504 104 1 1 . 1 1 45 45 ASN CA C 45 56.928 56.928 57.207 -0.279 18504 105 1 1 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.453 -0.049 18504 106 1 1 . 1 1 45 45 ASN H H 45 8.545 8.545 8.358 0.187 18504 107 1 1 . 1 1 46 46 MET N N 46 116.171 116.171 117.056 -0.885 18504 108 1 1 . 1 1 46 46 MET HA H 46 4.471 4.471 4.358 0.113 18504 109 1 1 . 1 1 46 46 MET C C 46 178.964 178.964 177.957 1.007 18504 110 1 1 . 1 1 46 46 MET CA C 46 55.467 55.467 58.962 -3.495 18504 111 1 1 . 1 1 46 46 MET CB C 46 29.707 29.707 32.297 -2.590 18504 112 1 1 . 1 1 46 46 MET H H 46 7.379 7.379 7.917 -0.538 18504 113 1 1 . 1 1 47 47 LYS N N 47 121.054 121.054 119.103 1.951 18504 114 1 1 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.970 -0.086 18504 115 1 1 . 1 1 47 47 LYS C C 47 179.310 179.310 178.736 0.574 18504 116 1 1 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.325 1.014 18504 117 1 1 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.143 -0.393 18504 118 1 1 . 1 1 47 47 LYS H H 47 8.450 8.450 7.733 0.717 18504 119 1 1 . 1 1 48 48 ASN N N 48 117.137 117.137 118.347 -1.210 18504 120 1 1 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.490 -0.609 18504 121 1 1 . 1 1 48 48 ASN C C 48 177.733 177.733 177.751 -0.018 18504 122 1 1 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.426 0.114 18504 123 1 1 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.587 -0.254 18504 124 1 1 . 1 1 48 48 ASN H H 48 7.896 7.896 8.064 -0.168 18504 125 1 1 . 1 1 49 49 VAL N N 49 121.225 121.225 120.727 0.498 18504 126 1 1 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.628 0.051 18504 127 1 1 . 1 1 49 49 VAL C C 49 176.675 176.675 177.463 -0.788 18504 128 1 1 . 1 1 49 49 VAL CA C 49 66.434 66.434 65.682 0.752 18504 129 1 1 . 1 1 49 49 VAL CB C 49 32.069 32.069 30.604 1.465 18504 130 1 1 . 1 1 49 49 VAL H H 49 7.869 7.869 7.566 0.303 18504 131 1 1 . 1 1 50 50 ILE N N 50 120.523 120.523 119.454 1.069 18504 132 1 1 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.558 0.692 18504 133 1 1 . 1 1 50 50 ILE C C 50 179.831 179.831 178.594 1.237 18504 134 1 1 . 1 1 50 50 ILE CA C 50 57.940 57.940 63.874 -5.934 18504 135 1 1 . 1 1 50 50 ILE CB C 50 40.112 40.112 36.261 3.850 18504 136 1 1 . 1 1 50 50 ILE H H 50 8.093 8.093 7.684 0.409 18504 137 1 1 . 1 1 51 51 ASN N N 51 117.280 117.280 118.006 -0.726 18504 138 1 1 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.454 -0.435 18504 139 1 1 . 1 1 51 51 ASN C C 51 178.496 178.496 177.750 0.746 18504 140 1 1 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.193 0.419 18504 141 1 1 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.862 -0.507 18504 142 1 1 . 1 1 51 51 ASN H H 51 7.953 7.953 7.990 -0.037 18504 143 1 1 . 1 1 52 52 ASN N N 52 118.893 118.893 118.993 -0.100 18504 144 1 1 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.574 -0.159 18504 145 1 1 . 1 1 52 52 ASN C C 52 176.434 176.434 176.591 -0.157 18504 146 1 1 . 1 1 52 52 ASN CA C 52 56.770 56.770 55.997 0.773 18504 147 1 1 . 1 1 52 52 ASN CB C 52 38.353 38.353 39.221 -0.868 18504 148 1 1 . 1 1 52 52 ASN H H 52 8.347 8.347 7.823 0.524 18504 149 1 1 . 1 1 53 53 ALA N N 53 122.291 122.291 122.434 -0.143 18504 150 1 1 . 1 1 53 53 ALA HA H 53 4.514 4.514 3.974 0.540 18504 151 1 1 . 1 1 53 53 ALA C C 53 180.689 180.689 179.368 1.321 18504 152 1 1 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.464 -0.563 18504 153 1 1 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.192 -0.291 18504 154 1 1 . 1 1 53 53 ALA H H 53 7.706 7.706 8.706 -1.000 18504 155 1 1 . 1 1 54 54 LYS N N 54 119.091 119.091 117.573 1.518 18504 156 1 1 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.142 -0.305 18504 157 1 1 . 1 1 54 54 LYS C C 54 178.066 178.066 178.054 0.012 18504 158 1 1 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.068 1.238 18504 159 1 1 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.453 -0.365 18504 160 1 1 . 1 1 54 54 LYS H H 54 8.375 8.375 7.642 0.733 18504 161 1 1 . 1 1 55 55 LYS N N 55 119.370 119.370 120.134 -0.764 18504 162 1 1 . 1 1 55 55 LYS HA H 55 3.873 3.873 4.088 -0.215 18504 163 1 1 . 1 1 55 55 LYS C C 55 179.819 179.819 179.002 0.817 18504 164 1 1 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.310 0.976 18504 165 1 1 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.229 -0.239 18504 166 1 1 . 1 1 55 55 LYS H H 55 8.259 8.259 7.655 0.604 18504 167 1 1 . 1 1 56 56 ASN N N 56 119.303 119.303 117.856 1.447 18504 168 1 1 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.289 0.120 18504 169 1 1 . 1 1 56 56 ASN C C 56 178.899 178.899 177.092 1.807 18504 170 1 1 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.725 0.015 18504 171 1 1 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.107 -1.004 18504 172 1 1 . 1 1 56 56 ASN H H 56 8.235 8.235 8.599 -0.364 18504 173 1 1 . 1 1 57 57 LEU N N 57 123.252 123.252 121.432 1.820 18504 174 1 1 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.312 0.370 18504 175 1 1 . 1 1 57 57 LEU C C 57 178.541 178.541 179.181 -0.640 18504 176 1 1 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.148 0.051 18504 177 1 1 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.130 0.496 18504 178 1 1 . 1 1 57 57 LEU H H 57 8.210 8.210 7.690 0.520 18504 179 1 1 . 1 1 58 58 GLU N N 58 118.795 118.795 117.325 1.470 18504 180 1 1 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.901 0.102 18504 181 1 1 . 1 1 58 58 GLU C C 58 177.333 177.333 178.283 -0.950 18504 182 1 1 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.198 1.947 18504 183 1 1 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.623 1.689 18504 184 1 1 . 1 1 58 58 GLU H H 58 8.846 8.846 8.221 0.625 18504 185 1 1 . 1 1 59 59 LYS N N 59 118.325 118.325 120.446 -2.121 18504 186 1 1 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.927 0.548 18504 187 1 1 . 1 1 59 59 LYS C C 59 178.428 178.428 178.752 -0.324 18504 188 1 1 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.316 0.829 18504 189 1 1 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.087 0.601 18504 190 1 1 . 1 1 59 59 LYS H H 59 8.373 8.373 7.486 0.887 18504 191 1 1 . 1 1 60 60 TYR N N 60 119.345 119.345 117.209 2.136 18504 192 1 1 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.441 -0.114 18504 193 1 1 . 1 1 60 60 TYR C C 60 178.899 178.899 178.790 0.109 18504 194 1 1 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.844 2.550 18504 195 1 1 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.159 0.135 18504 196 1 1 . 1 1 60 60 TYR H H 60 7.532 7.532 7.422 0.110 18504 197 1 1 . 1 1 61 61 PHE N N 61 118.931 118.931 120.617 -1.686 18504 198 1 1 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.385 -0.057 18504 199 1 1 . 1 1 61 61 PHE C C 61 178.450 178.450 176.938 1.512 18504 200 1 1 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.993 1.401 18504 201 1 1 . 1 1 61 61 PHE CB C 61 37.923 37.923 40.077 -2.154 18504 202 1 1 . 1 1 61 61 PHE H H 61 8.607 8.607 7.926 0.681 18504 203 1 1 . 1 1 62 62 LYS N N 62 118.337 118.337 117.808 0.529 18504 204 1 1 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.158 0.144 18504 205 1 1 . 1 1 62 62 LYS C C 62 178.333 178.333 178.449 -0.116 18504 206 1 1 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.282 1.028 18504 207 1 1 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.474 0.375 18504 208 1 1 . 1 1 62 62 LYS H H 62 8.615 8.615 8.587 0.028 18504 209 1 1 . 1 1 63 63 GLU N N 63 116.360 116.360 117.260 -0.900 18504 210 1 1 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.223 -0.297 18504 211 1 1 . 1 1 63 63 GLU C C 63 177.317 177.317 177.893 -0.576 18504 212 1 1 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.453 -0.137 18504 213 1 1 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.467 -1.111 18504 214 1 1 . 1 1 63 63 GLU H H 63 7.547 7.547 7.862 -0.315 18504 215 1 1 . 1 1 64 64 HIS N N 64 113.580 113.580 117.091 -3.511 18504 216 1 1 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.654 -0.233 18504 217 1 1 . 1 1 64 64 HIS C C 64 173.911 173.911 175.436 -1.525 18504 218 1 1 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.802 2.280 18504 219 1 1 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.371 1.464 18504 220 1 1 . 1 1 64 64 HIS H H 64 7.013 7.013 7.846 -0.833 18504 221 1 1 . 1 1 65 65 PHE N N 65 119.434 119.434 117.934 1.500 18504 222 1 1 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.020 0.916 18504 223 1 1 . 1 1 65 65 PHE C C 65 175.232 175.232 173.816 1.416 18504 224 1 1 . 1 1 65 65 PHE CA C 65 57.223 57.223 61.345 -4.122 18504 225 1 1 . 1 1 65 65 PHE CB C 65 40.362 40.362 38.404 1.958 18504 226 1 1 . 1 1 65 65 PHE H H 65 8.340 8.340 8.483 -0.143 18504 227 1 1 . 1 1 66 66 LYS N N 66 123.217 123.217 119.942 3.275 18504 228 1 1 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.857 0.431 18504 229 1 1 . 1 1 66 66 LYS C C 66 177.685 177.685 174.099 3.586 18504 230 1 1 . 1 1 66 66 LYS CA C 66 58.798 58.798 55.406 3.392 18504 231 1 1 . 1 1 66 66 LYS CB C 66 32.473 32.473 33.909 -1.436 18504 232 1 1 . 1 1 66 66 LYS H H 66 8.590 8.590 8.184 0.406 18504 233 1 1 . 1 1 67 67 GLU N N 67 117.085 117.085 124.413 -7.328 18504 234 1 1 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.230 0.131 18504 235 1 1 . 1 1 67 67 GLU C C 67 175.770 175.770 174.742 1.028 18504 236 1 1 . 1 1 67 67 GLU CA C 67 56.364 56.364 54.559 1.805 18504 237 1 1 . 1 1 67 67 GLU CB C 67 29.103 29.103 31.734 -2.631 18504 238 1 1 . 1 1 67 67 GLU H H 67 8.969 8.969 8.283 0.686 18504 239 1 1 . 1 1 68 68 PHE N N 68 121.127 121.127 119.724 1.403 18504 240 1 1 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.779 -0.507 18504 241 1 1 . 1 1 68 68 PHE C C 68 173.621 173.621 173.988 -0.367 18504 242 1 1 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.114 1.982 18504 243 1 1 . 1 1 68 68 PHE CB C 68 40.772 40.772 40.252 0.520 18504 244 1 1 . 1 1 68 68 PHE H H 68 7.752 7.752 8.407 -0.655 18504 245 1 1 . 1 1 69 69 ASP N N 69 125.720 125.720 122.172 3.548 18504 246 1 1 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.713 -0.110 18504 247 1 1 . 1 1 69 69 ASP C C 69 173.387 173.387 174.235 -0.848 18504 248 1 1 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.284 0.597 18504 249 1 1 . 1 1 69 69 ASP CB C 69 41.806 41.806 43.179 -1.373 18504 250 1 1 . 1 1 69 69 ASP H H 69 7.767 7.767 8.315 -0.548 18504 251 1 1 . 1 1 70 70 LYS N N 70 115.004 115.004 124.553 -9.549 18504 252 1 1 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.703 -0.254 18504 253 1 1 . 1 1 70 70 LYS C C 70 175.841 175.841 175.266 0.575 18504 254 1 1 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.545 0.941 18504 255 1 1 . 1 1 70 70 LYS CB C 70 34.781 34.781 34.900 -0.119 18504 256 1 1 . 1 1 70 70 LYS H H 70 7.305 7.305 8.340 -1.035 18504 257 1 1 . 1 1 71 71 ILE N N 71 122.809 122.809 118.659 4.150 18504 258 1 1 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.349 0.360 18504 259 1 1 . 1 1 71 71 ILE C C 71 175.120 175.120 174.563 0.557 18504 260 1 1 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.557 -1.305 18504 261 1 1 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.759 -1.457 18504 262 1 1 . 1 1 71 71 ILE H H 71 9.522 9.522 8.341 1.181 18504 263 1 1 . 1 1 72 72 SER N N 72 121.741 121.741 119.529 2.212 18504 264 1 1 . 1 1 72 72 SER HA H 72 4.920 4.920 5.053 -0.133 18504 265 1 1 . 1 1 72 72 SER C C 72 172.157 172.157 172.809 -0.652 18504 266 1 1 . 1 1 72 72 SER CA C 72 57.730 57.730 56.929 0.801 18504 267 1 1 . 1 1 72 72 SER CB C 72 65.634 65.634 65.828 -0.194 18504 268 1 1 . 1 1 72 72 SER H H 72 8.760 8.760 8.315 0.445 18504 269 1 1 . 1 1 73 73 TYR N N 73 118.245 118.245 117.159 1.086 18504 270 1 1 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.959 0.762 18504 271 1 1 . 1 1 73 73 TYR C C 73 173.231 173.231 173.377 -0.146 18504 272 1 1 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.334 -1.104 18504 273 1 1 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.708 1.675 18504 274 1 1 . 1 1 73 73 TYR H H 73 8.275 8.275 8.552 -0.277 18504 275 1 1 . 1 1 74 74 ASP N N 74 120.379 120.379 119.089 1.290 18504 276 1 1 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.622 0.433 18504 277 1 1 . 1 1 74 74 ASP C C 74 174.827 174.827 174.139 0.688 18504 278 1 1 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.435 0.166 18504 279 1 1 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.399 0.241 18504 280 1 1 . 1 1 74 74 ASP H H 74 9.332 9.332 8.596 0.736 18504 281 1 1 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.233 0.351 18504 282 1 1 . 1 1 75 75 ILE C C 75 177.411 177.411 175.215 2.196 18504 283 1 1 . 1 1 75 75 ILE CA C 75 59.209 59.209 61.304 -2.095 18504 284 1 1 . 1 1 75 75 ILE CB C 75 40.768 40.768 39.283 1.485 18504 285 1 1 . 1 1 75 75 ILE H H 75 7.501 7.501 8.333 -0.832 18504 286 1 1 . 1 1 76 76 SER N N 76 117.836 117.836 125.080 -7.244 18504 287 1 1 . 1 1 76 76 SER HA H 76 5.450 5.450 4.689 0.761 18504 288 1 1 . 1 1 76 76 SER C C 76 173.767 173.767 173.002 0.765 18504 289 1 1 . 1 1 76 76 SER CA C 76 57.758 57.758 57.204 0.554 18504 290 1 1 . 1 1 76 76 SER CB C 76 64.462 64.462 62.502 1.960 18504 291 1 1 . 1 1 76 76 SER H H 76 9.050 9.050 8.547 0.503 18504 292 1 1 . 1 1 77 77 THR N N 77 117.435 117.435 118.597 -1.162 18504 293 1 1 . 1 1 77 77 THR HA H 77 4.959 4.959 4.108 0.851 18504 294 1 1 . 1 1 77 77 THR C C 77 172.636 172.636 173.542 -0.906 18504 295 1 1 . 1 1 77 77 THR CA C 77 58.870 58.870 62.716 -3.846 18504 296 1 1 . 1 1 77 77 THR CB C 77 69.935 69.935 67.687 2.248 18504 297 1 1 . 1 1 77 77 THR H H 77 8.601 8.601 8.052 0.549 18504 298 1 1 . 1 1 78 78 PRO C C 78 179.328 179.328 176.908 2.420 18504 299 1 1 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.769 -1.286 18504 300 1 1 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.872 0.290 18504 301 1 1 . 1 1 79 79 ILE N N 79 120.707 120.707 115.860 4.847 18504 302 1 1 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.267 0.354 18504 303 1 1 . 1 1 79 79 ILE C C 79 177.212 177.212 175.260 1.952 18504 304 1 1 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.683 5.238 18504 305 1 1 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.380 0.088 18504 306 1 1 . 1 1 79 79 ILE H H 79 8.227 8.227 7.790 0.437 18504 307 1 1 . 1 1 80 80 ASN N N 80 118.168 118.168 119.820 -1.652 18504 308 1 1 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.752 -0.322 18504 309 1 1 . 1 1 80 80 ASN C C 80 178.172 178.172 173.714 4.458 18504 310 1 1 . 1 1 80 80 ASN CA C 80 56.763 56.763 52.824 3.939 18504 311 1 1 . 1 1 80 80 ASN CB C 80 38.087 38.087 40.541 -2.454 18504 312 1 1 . 1 1 80 80 ASN H H 80 8.466 8.466 7.506 0.960 18504 313 1 1 . 1 1 81 81 PHE N N 81 129.059 129.059 116.390 12.669 18504 314 1 1 . 1 1 81 81 PHE C C 81 174.016 174.016 173.793 0.223 18504 315 1 1 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.481 -1.662 18504 316 1 1 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.389 -2.616 18504 317 1 1 . 1 1 81 81 PHE H H 81 9.152 9.152 7.718 1.434 18504 318 1 1 . 1 1 82 82 LEU N N 82 124.640 124.640 120.381 4.259 18504 319 1 1 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.611 0.382 18504 320 1 1 . 1 1 82 82 LEU C C 82 173.695 173.695 175.512 -1.817 18504 321 1 1 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.859 -0.109 18504 322 1 1 . 1 1 82 82 LEU CB C 82 44.936 44.936 43.123 1.813 18504 323 1 1 . 1 1 82 82 LEU H H 82 9.147 9.147 8.384 0.763 18504 324 1 1 . 1 1 83 83 CYS N N 83 126.066 126.066 123.227 2.839 18504 325 1 1 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.500 0.738 18504 326 1 1 . 1 1 83 83 CYS C C 83 173.733 173.733 173.100 0.633 18504 327 1 1 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.561 -1.200 18504 328 1 1 . 1 1 83 83 CYS CB C 83 28.374 28.374 28.551 -0.177 18504 329 1 1 . 1 1 83 83 CYS H H 83 9.065 9.065 8.537 0.528 18504 330 1 1 . 1 1 84 84 ILE N N 84 126.110 126.110 128.047 -1.937 18504 331 1 1 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.411 -0.052 18504 332 1 1 . 1 1 84 84 ILE C C 84 174.745 174.745 174.685 0.060 18504 333 1 1 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.450 0.069 18504 334 1 1 . 1 1 84 84 ILE CB C 84 40.358 40.358 39.316 1.042 18504 335 1 1 . 1 1 84 84 ILE H H 84 9.426 9.426 8.103 1.323 18504 336 1 1 . 1 1 85 85 PHE N N 85 126.315 126.315 127.421 -1.106 18504 337 1 1 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.919 0.100 18504 338 1 1 . 1 1 85 85 PHE C C 85 175.358 175.358 174.918 0.440 18504 339 1 1 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.673 1.058 18504 340 1 1 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.927 -2.185 18504 341 1 1 . 1 1 85 85 PHE H H 85 8.337 8.337 8.259 0.078 18504 342 1 1 . 1 1 86 86 ILE N N 86 126.561 126.561 126.830 -0.269 18504 343 1 1 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.718 0.185 18504 344 1 1 . 1 1 86 86 ILE C C 86 173.967 173.967 173.466 0.501 18504 345 1 1 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.180 -1.794 18504 346 1 1 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.147 -1.336 18504 347 1 1 . 1 1 86 86 ILE H H 86 9.161 9.161 8.707 0.454 18504 348 1 1 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.914 0.108 18504 349 1 1 . 1 1 87 87 PRO C C 87 177.938 177.938 175.795 2.143 18504 350 1 1 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.307 0.201 18504 351 1 1 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.818 0.716 18504 352 1 1 . 1 1 88 88 THR N N 88 113.282 113.282 117.807 -4.525 18504 353 1 1 . 1 1 88 88 THR HA H 88 4.486 4.486 4.673 -0.187 18504 354 1 1 . 1 1 88 88 THR C C 88 176.082 176.082 174.417 1.665 18504 355 1 1 . 1 1 88 88 THR CA C 88 60.306 60.306 59.530 0.776 18504 356 1 1 . 1 1 88 88 THR CB C 88 66.727 66.727 71.498 -4.771 18504 357 1 1 . 1 1 88 88 THR H H 88 8.003 8.003 7.942 0.061 18504 358 1 1 . 1 1 89 89 LEU N N 89 122.317 122.317 128.339 -6.022 18504 359 1 1 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.482 -0.473 18504 360 1 1 . 1 1 89 89 LEU C C 89 175.776 175.776 176.531 -0.755 18504 361 1 1 . 1 1 89 89 LEU CA C 89 53.969 53.969 55.704 -1.735 18504 362 1 1 . 1 1 89 89 LEU CB C 89 41.996 41.996 43.104 -1.108 18504 363 1 1 . 1 1 89 89 LEU H H 89 7.822 7.822 8.760 -0.938 18504 364 1 1 . 1 1 90 90 PHE N N 90 114.801 114.801 117.569 -2.768 18504 365 1 1 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.239 1.321 18504 366 1 1 . 1 1 90 90 PHE C C 90 175.869 175.869 174.084 1.785 18504 367 1 1 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.980 -3.884 18504 368 1 1 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.523 1.584 18504 369 1 1 . 1 1 90 90 PHE H H 90 7.110 7.110 7.625 -0.515 18504 370 1 1 . 1 1 91 91 ASP N N 91 127.244 127.244 124.921 2.323 18504 371 1 1 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.155 0.402 18504 372 1 1 . 1 1 91 91 ASP C C 91 175.684 175.684 174.996 0.688 18504 373 1 1 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.662 -1.693 18504 374 1 1 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.475 0.741 18504 375 1 1 . 1 1 91 91 ASP H H 91 9.852 9.852 8.089 1.763 18504 376 1 1 . 1 1 92 92 MET N N 92 113.730 113.730 119.016 -5.286 18504 377 1 1 . 1 1 92 92 MET HA H 92 4.278 4.278 4.615 -0.337 18504 378 1 1 . 1 1 92 92 MET C C 92 177.571 177.571 174.826 2.745 18504 379 1 1 . 1 1 92 92 MET CA C 92 58.815 58.815 55.148 3.667 18504 380 1 1 . 1 1 92 92 MET CB C 92 32.010 32.010 32.692 -0.682 18504 381 1 1 . 1 1 92 92 MET H H 92 8.574 8.574 8.270 0.304 18504 382 1 1 . 1 1 93 93 ASN N N 93 115.175 115.175 118.106 -2.931 18504 383 1 1 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.771 -0.022 18504 384 1 1 . 1 1 93 93 ASN C C 93 176.300 176.300 175.057 1.243 18504 385 1 1 . 1 1 93 93 ASN CA C 93 55.193 55.193 53.231 1.962 18504 386 1 1 . 1 1 93 93 ASN CB C 93 39.426 39.426 39.301 0.125 18504 387 1 1 . 1 1 93 93 ASN H H 93 8.576 8.576 8.065 0.511 18504 388 1 1 . 1 1 94 94 ASN N N 94 119.005 119.005 116.702 2.303 18504 389 1 1 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.558 0.633 18504 390 1 1 . 1 1 94 94 ASN C C 94 177.230 177.230 174.443 2.787 18504 391 1 1 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.045 -1.414 18504 392 1 1 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.297 0.796 18504 393 1 1 . 1 1 94 94 ASN H H 94 8.049 8.049 8.332 -0.283 18504 394 1 1 . 1 1 95 95 MET N N 95 117.771 117.771 112.662 5.109 18504 395 1 1 . 1 1 95 95 MET HA H 95 4.048 4.048 4.061 -0.013 18504 396 1 1 . 1 1 95 95 MET C C 95 178.005 178.005 174.970 3.035 18504 397 1 1 . 1 1 95 95 MET CA C 95 58.275 58.275 56.197 2.078 18504 398 1 1 . 1 1 95 95 MET CB C 95 32.327 32.327 30.422 1.905 18504 399 1 1 . 1 1 95 95 MET H H 95 7.489 7.489 8.379 -0.890 18504 400 1 1 . 1 1 96 96 ASP N N 96 115.629 115.629 119.119 -3.490 18504 401 1 1 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.882 -0.279 18504 402 1 1 . 1 1 96 96 ASP C C 96 175.593 175.593 175.321 0.272 18504 403 1 1 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.688 0.252 18504 404 1 1 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.105 -1.660 18504 405 1 1 . 1 1 96 96 ASP H H 96 7.777 7.777 8.193 -0.416 18504 406 1 1 . 1 1 97 97 LEU N N 97 116.343 116.343 119.156 -2.813 18504 407 1 1 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.772 -0.155 18504 408 1 1 . 1 1 97 97 LEU C C 97 174.835 174.835 178.006 -3.171 18504 409 1 1 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.778 -1.345 18504 410 1 1 . 1 1 97 97 LEU CB C 97 39.082 39.082 42.580 -3.498 18504 411 1 1 . 1 1 97 97 LEU H H 97 8.027 8.027 7.677 0.350 18504 412 1 1 . 1 1 98 98 LEU N N 98 118.769 118.769 121.377 -2.608 18504 413 1 1 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.184 -0.820 18504 414 1 1 . 1 1 98 98 LEU C C 98 177.586 177.586 178.250 -0.664 18504 415 1 1 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.988 0.231 18504 416 1 1 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.348 -2.248 18504 417 1 1 . 1 1 98 98 LEU H H 98 7.798 7.798 8.360 -0.562 18504 418 1 1 . 1 1 99 99 LYS N N 99 117.567 117.567 119.622 -2.055 18504 419 1 1 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.983 -0.567 18504 420 1 1 . 1 1 99 99 LYS C C 99 177.639 177.639 178.571 -0.932 18504 421 1 1 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.993 0.840 18504 422 1 1 . 1 1 99 99 LYS CB C 99 32.044 32.044 32.066 -0.022 18504 423 1 1 . 1 1 99 99 LYS H H 99 7.603 7.603 8.679 -1.076 18504 424 1 1 . 1 1 100 100 GLN N N 100 114.564 114.564 117.419 -2.855 18504 425 1 1 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.211 -0.399 18504 426 1 1 . 1 1 100 100 GLN C C 100 178.165 178.165 177.851 0.314 18504 427 1 1 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.447 0.337 18504 428 1 1 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.546 -1.063 18504 429 1 1 . 1 1 100 100 GLN H H 100 7.625 7.625 7.681 -0.056 18504 430 1 1 . 1 1 101 101 ALA N N 101 121.499 121.499 124.549 -3.050 18504 431 1 1 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.134 -0.846 18504 432 1 1 . 1 1 101 101 ALA C C 101 178.865 178.865 179.661 -0.796 18504 433 1 1 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.923 0.041 18504 434 1 1 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.521 -0.660 18504 435 1 1 . 1 1 101 101 ALA H H 101 7.355 7.355 7.608 -0.253 18504 436 1 1 . 1 1 102 102 LEU N N 102 115.061 115.061 118.372 -3.311 18504 437 1 1 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.103 0.663 18504 438 1 1 . 1 1 102 102 LEU C C 102 179.324 179.324 179.025 0.299 18504 439 1 1 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.357 0.139 18504 440 1 1 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.144 -0.416 18504 441 1 1 . 1 1 102 102 LEU H H 102 7.941 7.941 8.673 -0.732 18504 442 1 1 . 1 1 103 103 LEU N N 103 115.920 115.920 120.228 -4.308 18504 443 1 1 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.143 0.694 18504 444 1 1 . 1 1 103 103 LEU C C 103 178.500 178.500 179.000 -0.500 18504 445 1 1 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.930 -3.041 18504 446 1 1 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.303 1.463 18504 447 1 1 . 1 1 103 103 LEU H H 103 8.266 8.266 7.415 0.851 18504 448 1 1 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.104 0.531 18504 449 1 1 . 1 1 105 105 LEU C C 105 175.743 175.743 178.111 -2.368 18504 450 1 1 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.645 -0.548 18504 451 1 1 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.479 -1.701 18504 452 1 1 . 1 1 106 106 HIS N N 106 122.167 122.167 119.822 2.345 18504 453 1 1 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.049 0.217 18504 454 1 1 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.493 -3.379 18504 455 1 1 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.258 -0.133 18504 456 1 1 . 1 1 106 106 HIS H H 106 8.252 8.252 7.725 0.527 18504 457 1 1 . 1 1 107 107 ASN C C 107 179.694 179.694 177.544 2.150 18504 458 1 1 . 1 1 107 107 ASN CA C 107 58.331 58.331 57.124 1.207 18504 459 1 1 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.367 3.630 18504 460 1 1 . 1 1 108 108 ASP N N 108 122.462 122.462 119.409 3.053 18504 461 1 1 . 1 1 108 108 ASP C C 108 179.328 179.328 177.036 2.292 18504 462 1 1 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.906 0.783 18504 463 1 1 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.118 0.922 18504 464 1 1 . 1 1 108 108 ASP H H 108 8.174 8.174 7.691 0.483 18504 465 1 1 . 1 1 109 109 LEU N N 109 115.664 115.664 117.104 -1.440 18504 466 1 1 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.310 0.542 18504 467 1 1 . 1 1 109 109 LEU C C 109 178.510 178.510 177.595 0.915 18504 468 1 1 . 1 1 109 109 LEU CA C 109 55.154 55.154 55.184 -0.030 18504 469 1 1 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.571 1.577 18504 470 1 1 . 1 1 109 109 LEU H H 109 8.380 8.380 7.374 1.006 18504 471 1 1 . 1 1 110 110 HIS N N 110 118.905 118.905 118.620 0.285 18504 472 1 1 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.120 -0.210 18504 473 1 1 . 1 1 110 110 HIS C C 110 176.152 176.152 176.283 -0.131 18504 474 1 1 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.918 3.094 18504 475 1 1 . 1 1 110 110 HIS CB C 110 28.112 28.112 30.290 -2.178 18504 476 1 1 . 1 1 110 110 HIS H H 110 8.518 8.518 8.282 0.236 18504 477 1 1 . 1 1 111 111 GLU N N 111 117.923 117.923 116.800 1.123 18504 478 1 1 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.088 -0.357 18504 479 1 1 . 1 1 111 111 GLU C C 111 176.596 176.596 176.528 0.068 18504 480 1 1 . 1 1 111 111 GLU CA C 111 58.394 58.394 57.875 0.519 18504 481 1 1 . 1 1 111 111 GLU CB C 111 29.044 29.044 31.216 -2.172 18504 482 1 1 . 1 1 111 111 GLU H H 111 8.018 8.018 7.932 0.086 18504 483 1 1 . 1 1 112 112 TYR N N 112 114.607 114.607 115.485 -0.878 18504 484 1 1 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.346 0.091 18504 485 1 1 . 1 1 112 112 TYR C C 112 174.448 174.448 174.892 -0.444 18504 486 1 1 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.181 -1.409 18504 487 1 1 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.679 0.308 18504 488 1 1 . 1 1 112 112 TYR H H 112 7.905 7.905 7.769 0.136 18504 489 1 1 . 1 1 113 113 VAL N N 113 118.003 118.003 120.582 -2.579 18504 490 1 1 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.700 0.406 18504 491 1 1 . 1 1 113 113 VAL C C 113 175.134 175.134 174.729 0.405 18504 492 1 1 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.742 -1.055 18504 493 1 1 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.344 2.884 18504 494 1 1 . 1 1 113 113 VAL H H 113 6.976 6.976 8.406 -1.430 18504 495 1 2 . 1 1 27 27 SER HA H 27 4.339 4.339 4.922 -0.583 18504 496 1 2 . 1 1 27 27 SER C C 27 175.743 175.743 173.154 2.589 18504 497 1 2 . 1 1 27 27 SER CA C 27 60.497 60.497 57.943 2.554 18504 498 1 2 . 1 1 27 27 SER CB C 27 63.659 63.659 65.431 -1.772 18504 499 1 2 . 1 1 28 28 LYS N N 28 118.099 118.099 124.497 -6.398 18504 500 1 2 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.558 0.660 18504 501 1 2 . 1 1 28 28 LYS C C 28 175.699 175.699 175.615 0.084 18504 502 1 2 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.831 -0.286 18504 503 1 2 . 1 1 28 28 LYS CB C 28 35.913 35.913 33.735 2.178 18504 504 1 2 . 1 1 28 28 LYS H H 28 7.785 7.785 8.668 -0.883 18504 505 1 2 . 1 1 29 29 GLN N N 29 122.481 122.481 123.278 -0.797 18504 506 1 2 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.674 0.064 18504 507 1 2 . 1 1 29 29 GLN C C 29 174.277 174.277 173.618 0.659 18504 508 1 2 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.207 1.318 18504 509 1 2 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.227 -0.357 18504 510 1 2 . 1 1 29 29 GLN H H 29 9.283 9.283 8.420 0.863 18504 511 1 2 . 1 1 30 30 GLU N N 30 122.881 122.881 121.493 1.388 18504 512 1 2 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.632 -0.356 18504 513 1 2 . 1 1 30 30 GLU C C 30 173.313 173.313 174.600 -1.287 18504 514 1 2 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.503 1.451 18504 515 1 2 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.571 -0.517 18504 516 1 2 . 1 1 30 30 GLU H H 30 9.188 9.188 8.399 0.789 18504 517 1 2 . 1 1 31 31 LEU N N 31 130.328 130.328 123.675 6.653 18504 518 1 2 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.615 -0.322 18504 519 1 2 . 1 1 31 31 LEU C C 31 171.909 171.909 175.523 -3.614 18504 520 1 2 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.940 -0.659 18504 521 1 2 . 1 1 31 31 LEU CB C 31 42.450 42.450 45.607 -3.157 18504 522 1 2 . 1 1 31 31 LEU H H 31 9.016 9.016 8.548 0.468 18504 523 1 2 . 1 1 32 32 ILE N N 32 120.632 120.632 122.298 -1.666 18504 524 1 2 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.874 0.654 18504 525 1 2 . 1 1 32 32 ILE C C 32 175.735 175.735 175.225 0.510 18504 526 1 2 . 1 1 32 32 ILE CA C 32 59.224 59.224 58.928 0.296 18504 527 1 2 . 1 1 32 32 ILE CB C 32 36.625 36.625 37.297 -0.672 18504 528 1 2 . 1 1 32 32 ILE H H 32 8.738 8.738 8.476 0.263 18504 529 1 2 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.752 -0.755 18504 530 1 2 . 1 1 33 33 LEU C C 33 180.030 180.030 175.731 4.299 18504 531 1 2 . 1 1 33 33 LEU CA C 33 58.333 58.333 54.345 3.988 18504 532 1 2 . 1 1 33 33 LEU CB C 33 41.433 41.433 44.572 -3.139 18504 533 1 2 . 1 1 34 34 VAL N N 34 124.025 124.025 120.157 3.868 18504 534 1 2 . 1 1 34 34 VAL HA H 34 3.617 3.617 3.643 -0.026 18504 535 1 2 . 1 1 34 34 VAL C C 34 178.222 178.222 174.500 3.722 18504 536 1 2 . 1 1 34 34 VAL CA C 34 66.122 66.122 62.909 3.213 18504 537 1 2 . 1 1 34 34 VAL CB C 34 37.942 37.942 31.746 6.196 18504 538 1 2 . 1 1 34 34 VAL H H 34 7.751 7.751 8.302 -0.551 18504 539 1 2 . 1 1 35 35 LEU N N 35 120.009 120.009 127.441 -7.432 18504 540 1 2 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.625 -0.349 18504 541 1 2 . 1 1 35 35 LEU C C 35 175.855 175.855 177.431 -1.576 18504 542 1 2 . 1 1 35 35 LEU CA C 35 57.375 57.375 56.344 1.031 18504 543 1 2 . 1 1 35 35 LEU CB C 35 43.089 43.089 42.598 0.491 18504 544 1 2 . 1 1 35 35 LEU H H 35 7.532 7.532 8.220 -0.688 18504 545 1 2 . 1 1 36 36 LYS N N 36 115.805 115.805 119.028 -3.223 18504 546 1 2 . 1 1 36 36 LYS C C 36 178.903 178.903 176.822 2.081 18504 547 1 2 . 1 1 36 36 LYS CA C 36 58.347 58.347 59.269 -0.922 18504 548 1 2 . 1 1 36 36 LYS CB C 36 32.903 32.903 32.484 0.418 18504 549 1 2 . 1 1 36 36 LYS H H 36 7.501 7.501 8.180 -0.679 18504 550 1 2 . 1 1 37 37 GLY N N 37 110.626 110.626 105.233 5.393 18504 551 1 2 . 1 1 37 37 GLY C C 37 174.865 174.865 172.972 1.893 18504 552 1 2 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.669 2.797 18504 553 1 2 . 1 1 37 37 GLY H H 37 8.811 8.811 7.631 1.180 18504 554 1 2 . 1 1 38 38 GLU N N 38 116.098 116.098 118.796 -2.698 18504 555 1 2 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.022 0.280 18504 556 1 2 . 1 1 38 38 GLU C C 38 176.681 176.681 174.897 1.784 18504 557 1 2 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.625 0.559 18504 558 1 2 . 1 1 38 38 GLU CB C 38 28.829 28.829 29.497 -0.668 18504 559 1 2 . 1 1 38 38 GLU H H 38 8.763 8.763 7.864 0.899 18504 560 1 2 . 1 1 39 39 LEU N N 39 119.439 119.439 120.715 -1.276 18504 561 1 2 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.542 -0.276 18504 562 1 2 . 1 1 39 39 LEU C C 39 176.016 176.016 175.352 0.664 18504 563 1 2 . 1 1 39 39 LEU CA C 39 54.725 54.725 53.872 0.853 18504 564 1 2 . 1 1 39 39 LEU CB C 39 43.602 43.602 43.920 -0.319 18504 565 1 2 . 1 1 39 39 LEU H H 39 7.167 7.167 7.929 -0.762 18504 566 1 2 . 1 1 40 40 ASP N N 40 120.105 120.105 120.923 -0.818 18504 567 1 2 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.821 -0.093 18504 568 1 2 . 1 1 40 40 ASP C C 40 178.198 178.198 175.541 2.657 18504 569 1 2 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.852 -1.662 18504 570 1 2 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.791 -1.234 18504 571 1 2 . 1 1 40 40 ASP H H 40 8.596 8.596 8.497 0.099 18504 572 1 2 . 1 1 41 41 LEU N N 41 125.023 125.023 123.398 1.625 18504 573 1 2 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.339 -0.586 18504 574 1 2 . 1 1 41 41 LEU C C 41 175.113 175.113 177.023 -1.910 18504 575 1 2 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.586 1.081 18504 576 1 2 . 1 1 41 41 LEU CB C 41 39.849 39.849 42.145 -2.296 18504 577 1 2 . 1 1 41 41 LEU H H 41 9.029 9.029 8.673 0.356 18504 578 1 2 . 1 1 42 42 HIS N N 42 113.184 113.184 117.854 -4.670 18504 579 1 2 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.768 -0.244 18504 580 1 2 . 1 1 42 42 HIS C C 42 175.855 175.855 174.677 1.178 18504 581 1 2 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.271 0.645 18504 582 1 2 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.183 -0.046 18504 583 1 2 . 1 1 42 42 HIS H H 42 8.065 8.065 8.331 -0.266 18504 584 1 2 . 1 1 43 43 SER N N 43 116.013 116.013 113.083 2.930 18504 585 1 2 . 1 1 43 43 SER HA H 43 4.524 4.524 4.098 0.426 18504 586 1 2 . 1 1 43 43 SER C C 43 174.426 174.426 175.443 -1.017 18504 587 1 2 . 1 1 43 43 SER CA C 43 58.206 58.206 58.816 -0.610 18504 588 1 2 . 1 1 43 43 SER CB C 43 65.517 65.517 62.261 3.256 18504 589 1 2 . 1 1 43 43 SER H H 43 7.511 7.511 8.257 -0.746 18504 590 1 2 . 1 1 44 44 LYS N N 44 123.332 123.332 119.375 3.957 18504 591 1 2 . 1 1 44 44 LYS C C 44 177.791 177.791 177.966 -0.175 18504 592 1 2 . 1 1 44 44 LYS CA C 44 59.456 59.456 59.074 0.382 18504 593 1 2 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.525 -2.353 18504 594 1 2 . 1 1 44 44 LYS H H 44 8.846 8.846 8.234 0.612 18504 595 1 2 . 1 1 45 45 ASN N N 45 118.501 118.501 116.793 1.708 18504 596 1 2 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.374 0.096 18504 597 1 2 . 1 1 45 45 ASN C C 45 177.817 177.817 177.533 0.284 18504 598 1 2 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.719 0.209 18504 599 1 2 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.268 0.136 18504 600 1 2 . 1 1 45 45 ASN H H 45 8.545 8.545 8.410 0.135 18504 601 1 2 . 1 1 46 46 MET N N 46 116.171 116.171 117.938 -1.767 18504 602 1 2 . 1 1 46 46 MET HA H 46 4.471 4.471 4.465 0.006 18504 603 1 2 . 1 1 46 46 MET C C 46 178.964 178.964 177.898 1.066 18504 604 1 2 . 1 1 46 46 MET CA C 46 55.467 55.467 59.077 -3.610 18504 605 1 2 . 1 1 46 46 MET CB C 46 29.707 29.707 32.380 -2.674 18504 606 1 2 . 1 1 46 46 MET H H 46 7.379 7.379 7.789 -0.410 18504 607 1 2 . 1 1 47 47 LYS N N 47 121.054 121.054 116.935 4.119 18504 608 1 2 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.143 -0.259 18504 609 1 2 . 1 1 47 47 LYS C C 47 179.310 179.310 178.744 0.566 18504 610 1 2 . 1 1 47 47 LYS CA C 47 60.339 60.339 58.404 1.935 18504 611 1 2 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.697 0.053 18504 612 1 2 . 1 1 47 47 LYS H H 47 8.450 8.450 7.698 0.752 18504 613 1 2 . 1 1 48 48 ASN N N 48 117.137 117.137 118.778 -1.641 18504 614 1 2 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.545 -0.664 18504 615 1 2 . 1 1 48 48 ASN C C 48 177.733 177.733 177.280 0.453 18504 616 1 2 . 1 1 48 48 ASN CA C 48 56.540 56.540 55.587 0.953 18504 617 1 2 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.390 -0.057 18504 618 1 2 . 1 1 48 48 ASN H H 48 7.896 7.896 7.745 0.151 18504 619 1 2 . 1 1 49 49 VAL N N 49 121.225 121.225 120.387 0.838 18504 620 1 2 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.550 0.129 18504 621 1 2 . 1 1 49 49 VAL C C 49 176.675 176.675 177.087 -0.412 18504 622 1 2 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.486 -0.051 18504 623 1 2 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.505 0.564 18504 624 1 2 . 1 1 49 49 VAL H H 49 7.869 7.869 7.533 0.336 18504 625 1 2 . 1 1 50 50 ILE N N 50 120.523 120.523 119.098 1.425 18504 626 1 2 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.408 0.842 18504 627 1 2 . 1 1 50 50 ILE C C 50 179.831 179.831 177.451 2.380 18504 628 1 2 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.651 -6.711 18504 629 1 2 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.812 2.300 18504 630 1 2 . 1 1 50 50 ILE H H 50 8.093 8.093 7.505 0.588 18504 631 1 2 . 1 1 51 51 ASN N N 51 117.280 117.280 118.047 -0.767 18504 632 1 2 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.452 -0.433 18504 633 1 2 . 1 1 51 51 ASN C C 51 178.496 178.496 177.562 0.934 18504 634 1 2 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.342 0.271 18504 635 1 2 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.185 0.170 18504 636 1 2 . 1 1 51 51 ASN H H 51 7.953 7.953 7.721 0.232 18504 637 1 2 . 1 1 52 52 ASN N N 52 118.893 118.893 119.522 -0.629 18504 638 1 2 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.547 -0.132 18504 639 1 2 . 1 1 52 52 ASN C C 52 176.434 176.434 177.273 -0.839 18504 640 1 2 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.021 0.749 18504 641 1 2 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.373 -0.020 18504 642 1 2 . 1 1 52 52 ASN H H 52 8.347 8.347 7.805 0.542 18504 643 1 2 . 1 1 53 53 ALA N N 53 122.291 122.291 122.336 -0.045 18504 644 1 2 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.071 0.443 18504 645 1 2 . 1 1 53 53 ALA C C 53 180.689 180.689 179.694 0.995 18504 646 1 2 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.104 -0.203 18504 647 1 2 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.198 -0.297 18504 648 1 2 . 1 1 53 53 ALA H H 53 7.706 7.706 8.781 -1.075 18504 649 1 2 . 1 1 54 54 LYS N N 54 119.091 119.091 117.985 1.106 18504 650 1 2 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.013 -0.176 18504 651 1 2 . 1 1 54 54 LYS C C 54 178.066 178.066 178.572 -0.506 18504 652 1 2 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.668 0.638 18504 653 1 2 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.338 -0.250 18504 654 1 2 . 1 1 54 54 LYS H H 54 8.375 8.375 7.556 0.819 18504 655 1 2 . 1 1 55 55 LYS N N 55 119.370 119.370 120.002 -0.632 18504 656 1 2 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.913 -0.040 18504 657 1 2 . 1 1 55 55 LYS C C 55 179.819 179.819 178.836 0.983 18504 658 1 2 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.926 0.360 18504 659 1 2 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.396 -0.406 18504 660 1 2 . 1 1 55 55 LYS H H 55 8.259 8.259 7.644 0.615 18504 661 1 2 . 1 1 56 56 ASN N N 56 119.303 119.303 118.065 1.238 18504 662 1 2 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.241 0.168 18504 663 1 2 . 1 1 56 56 ASN C C 56 178.899 178.899 177.300 1.599 18504 664 1 2 . 1 1 56 56 ASN CA C 56 55.740 55.740 56.156 -0.416 18504 665 1 2 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.083 -0.980 18504 666 1 2 . 1 1 56 56 ASN H H 56 8.235 8.235 8.062 0.173 18504 667 1 2 . 1 1 57 57 LEU N N 57 123.252 123.252 121.718 1.534 18504 668 1 2 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.380 0.302 18504 669 1 2 . 1 1 57 57 LEU C C 57 178.541 178.541 179.510 -0.969 18504 670 1 2 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.314 -0.115 18504 671 1 2 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.293 1.333 18504 672 1 2 . 1 1 57 57 LEU H H 57 8.210 8.210 7.865 0.345 18504 673 1 2 . 1 1 58 58 GLU N N 58 118.795 118.795 117.956 0.839 18504 674 1 2 . 1 1 58 58 GLU HA H 58 4.003 4.003 4.081 -0.078 18504 675 1 2 . 1 1 58 58 GLU C C 58 177.333 177.333 179.208 -1.875 18504 676 1 2 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.352 1.793 18504 677 1 2 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.337 0.975 18504 678 1 2 . 1 1 58 58 GLU H H 58 8.846 8.846 8.294 0.552 18504 679 1 2 . 1 1 59 59 LYS N N 59 118.325 118.325 119.319 -0.994 18504 680 1 2 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.928 0.547 18504 681 1 2 . 1 1 59 59 LYS C C 59 178.428 178.428 179.154 -0.726 18504 682 1 2 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.181 0.964 18504 683 1 2 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.098 0.590 18504 684 1 2 . 1 1 59 59 LYS H H 59 8.373 8.373 8.091 0.282 18504 685 1 2 . 1 1 60 60 TYR N N 60 119.345 119.345 117.467 1.878 18504 686 1 2 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.418 -0.091 18504 687 1 2 . 1 1 60 60 TYR C C 60 178.899 178.899 178.155 0.744 18504 688 1 2 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.587 1.806 18504 689 1 2 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.235 0.059 18504 690 1 2 . 1 1 60 60 TYR H H 60 7.532 7.532 7.333 0.199 18504 691 1 2 . 1 1 61 61 PHE N N 61 118.931 118.931 120.501 -1.570 18504 692 1 2 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.426 -0.098 18504 693 1 2 . 1 1 61 61 PHE C C 61 178.450 178.450 177.175 1.275 18504 694 1 2 . 1 1 61 61 PHE CA C 61 62.394 62.394 59.843 2.551 18504 695 1 2 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.085 -1.162 18504 696 1 2 . 1 1 61 61 PHE H H 61 8.607 8.607 8.141 0.466 18504 697 1 2 . 1 1 62 62 LYS N N 62 118.337 118.337 118.524 -0.187 18504 698 1 2 . 1 1 62 62 LYS HA H 62 4.302 4.302 3.817 0.485 18504 699 1 2 . 1 1 62 62 LYS C C 62 178.333 178.333 177.896 0.437 18504 700 1 2 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.056 1.255 18504 701 1 2 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.304 0.544 18504 702 1 2 . 1 1 62 62 LYS H H 62 8.615 8.615 8.353 0.262 18504 703 1 2 . 1 1 63 63 GLU N N 63 116.360 116.360 117.184 -0.824 18504 704 1 2 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.234 -0.308 18504 705 1 2 . 1 1 63 63 GLU C C 63 177.317 177.317 177.786 -0.469 18504 706 1 2 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.011 0.305 18504 707 1 2 . 1 1 63 63 GLU CB C 63 29.356 29.356 31.454 -2.098 18504 708 1 2 . 1 1 63 63 GLU H H 63 7.547 7.547 7.762 -0.215 18504 709 1 2 . 1 1 64 64 HIS N N 64 113.580 113.580 116.750 -3.170 18504 710 1 2 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.779 -0.358 18504 711 1 2 . 1 1 64 64 HIS C C 64 173.911 173.911 174.879 -0.968 18504 712 1 2 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.762 2.320 18504 713 1 2 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.734 1.101 18504 714 1 2 . 1 1 64 64 HIS H H 64 7.013 7.013 8.498 -1.485 18504 715 1 2 . 1 1 65 65 PHE N N 65 119.434 119.434 117.028 2.406 18504 716 1 2 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.072 0.864 18504 717 1 2 . 1 1 65 65 PHE C C 65 175.232 175.232 175.517 -0.285 18504 718 1 2 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.459 -2.236 18504 719 1 2 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.299 3.063 18504 720 1 2 . 1 1 65 65 PHE H H 65 8.340 8.340 8.137 0.203 18504 721 1 2 . 1 1 66 66 LYS N N 66 123.217 123.217 118.577 4.640 18504 722 1 2 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.663 -0.375 18504 723 1 2 . 1 1 66 66 LYS C C 66 177.685 177.685 175.486 2.199 18504 724 1 2 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.036 2.762 18504 725 1 2 . 1 1 66 66 LYS CB C 66 32.473 32.473 34.689 -2.216 18504 726 1 2 . 1 1 66 66 LYS H H 66 8.590 8.590 8.016 0.574 18504 727 1 2 . 1 1 67 67 GLU N N 67 117.085 117.085 118.825 -1.740 18504 728 1 2 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.305 0.056 18504 729 1 2 . 1 1 67 67 GLU C C 67 175.770 175.770 175.084 0.686 18504 730 1 2 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.803 -0.439 18504 731 1 2 . 1 1 67 67 GLU CB C 67 29.103 29.103 28.312 0.791 18504 732 1 2 . 1 1 67 67 GLU H H 67 8.969 8.969 8.293 0.676 18504 733 1 2 . 1 1 68 68 PHE N N 68 121.127 121.127 122.860 -1.733 18504 734 1 2 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.459 -0.187 18504 735 1 2 . 1 1 68 68 PHE C C 68 173.621 173.621 174.370 -0.749 18504 736 1 2 . 1 1 68 68 PHE CA C 68 59.096 59.096 58.218 0.878 18504 737 1 2 . 1 1 68 68 PHE CB C 68 40.772 40.772 40.653 0.119 18504 738 1 2 . 1 1 68 68 PHE H H 68 7.752 7.752 8.080 -0.328 18504 739 1 2 . 1 1 69 69 ASP N N 69 125.720 125.720 117.121 8.599 18504 740 1 2 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.196 0.407 18504 741 1 2 . 1 1 69 69 ASP C C 69 173.387 173.387 174.621 -1.234 18504 742 1 2 . 1 1 69 69 ASP CA C 69 54.881 54.881 55.367 -0.486 18504 743 1 2 . 1 1 69 69 ASP CB C 69 41.806 41.806 40.570 1.236 18504 744 1 2 . 1 1 69 69 ASP H H 69 7.767 7.767 8.497 -0.730 18504 745 1 2 . 1 1 70 70 LYS N N 70 115.004 115.004 120.198 -5.194 18504 746 1 2 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.587 -0.138 18504 747 1 2 . 1 1 70 70 LYS C C 70 175.841 175.841 174.954 0.887 18504 748 1 2 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.599 0.887 18504 749 1 2 . 1 1 70 70 LYS CB C 70 34.781 34.781 36.620 -1.839 18504 750 1 2 . 1 1 70 70 LYS H H 70 7.305 7.305 8.230 -0.925 18504 751 1 2 . 1 1 71 71 ILE N N 71 122.809 122.809 119.680 3.129 18504 752 1 2 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.335 0.374 18504 753 1 2 . 1 1 71 71 ILE C C 71 175.120 175.120 174.666 0.454 18504 754 1 2 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.338 -1.086 18504 755 1 2 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.866 -1.564 18504 756 1 2 . 1 1 71 71 ILE H H 71 9.522 9.522 8.382 1.140 18504 757 1 2 . 1 1 72 72 SER N N 72 121.741 121.741 119.988 1.753 18504 758 1 2 . 1 1 72 72 SER HA H 72 4.920 4.920 5.043 -0.123 18504 759 1 2 . 1 1 72 72 SER C C 72 172.157 172.157 172.759 -0.602 18504 760 1 2 . 1 1 72 72 SER CA C 72 57.730 57.730 56.716 1.014 18504 761 1 2 . 1 1 72 72 SER CB C 72 65.634 65.634 66.092 -0.458 18504 762 1 2 . 1 1 72 72 SER H H 72 8.760 8.760 8.346 0.414 18504 763 1 2 . 1 1 73 73 TYR N N 73 118.245 118.245 117.742 0.503 18504 764 1 2 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.954 0.767 18504 765 1 2 . 1 1 73 73 TYR C C 73 173.231 173.231 173.358 -0.127 18504 766 1 2 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.286 -1.056 18504 767 1 2 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.014 1.369 18504 768 1 2 . 1 1 73 73 TYR H H 73 8.275 8.275 8.582 -0.308 18504 769 1 2 . 1 1 74 74 ASP N N 74 120.379 120.379 119.315 1.064 18504 770 1 2 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.775 0.280 18504 771 1 2 . 1 1 74 74 ASP C C 74 174.827 174.827 174.258 0.569 18504 772 1 2 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.641 -0.040 18504 773 1 2 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.656 -0.015 18504 774 1 2 . 1 1 74 74 ASP H H 74 9.332 9.332 8.973 0.359 18504 775 1 2 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.605 -0.021 18504 776 1 2 . 1 1 75 75 ILE C C 75 177.411 177.411 174.877 2.534 18504 777 1 2 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.511 -0.302 18504 778 1 2 . 1 1 75 75 ILE CB C 75 40.768 40.768 41.403 -0.635 18504 779 1 2 . 1 1 75 75 ILE H H 75 7.501 7.501 8.247 -0.746 18504 780 1 2 . 1 1 76 76 SER N N 76 117.836 117.836 118.652 -0.816 18504 781 1 2 . 1 1 76 76 SER HA H 76 5.450 5.450 4.940 0.510 18504 782 1 2 . 1 1 76 76 SER C C 76 173.767 173.767 174.734 -0.967 18504 783 1 2 . 1 1 76 76 SER CA C 76 57.758 57.758 57.434 0.324 18504 784 1 2 . 1 1 76 76 SER CB C 76 64.462 64.462 65.229 -0.767 18504 785 1 2 . 1 1 76 76 SER H H 76 9.050 9.050 8.301 0.749 18504 786 1 2 . 1 1 77 77 THR N N 77 117.435 117.435 121.486 -4.051 18504 787 1 2 . 1 1 77 77 THR HA H 77 4.959 4.959 4.496 0.463 18504 788 1 2 . 1 1 77 77 THR C C 77 172.636 172.636 173.907 -1.271 18504 789 1 2 . 1 1 77 77 THR CA C 77 58.870 58.870 64.909 -6.038 18504 790 1 2 . 1 1 77 77 THR CB C 77 69.935 69.935 67.803 2.132 18504 791 1 2 . 1 1 77 77 THR H H 77 8.601 8.601 8.762 -0.161 18504 792 1 2 . 1 1 78 78 PRO C C 78 179.328 179.328 176.973 2.355 18504 793 1 2 . 1 1 78 78 PRO CA C 78 63.483 63.483 65.513 -2.030 18504 794 1 2 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.376 0.786 18504 795 1 2 . 1 1 79 79 ILE N N 79 120.707 120.707 113.518 7.189 18504 796 1 2 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.327 0.294 18504 797 1 2 . 1 1 79 79 ILE C C 79 177.212 177.212 176.071 1.141 18504 798 1 2 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.959 4.962 18504 799 1 2 . 1 1 79 79 ILE CB C 79 37.468 37.468 38.850 -1.382 18504 800 1 2 . 1 1 79 79 ILE H H 79 8.227 8.227 7.697 0.530 18504 801 1 2 . 1 1 80 80 ASN N N 80 118.168 118.168 117.797 0.371 18504 802 1 2 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.493 -0.063 18504 803 1 2 . 1 1 80 80 ASN C C 80 178.172 178.172 173.389 4.783 18504 804 1 2 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.064 2.699 18504 805 1 2 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.590 0.497 18504 806 1 2 . 1 1 80 80 ASN H H 80 8.466 8.466 7.748 0.718 18504 807 1 2 . 1 1 81 81 PHE N N 81 129.059 129.059 115.461 13.598 18504 808 1 2 . 1 1 81 81 PHE C C 81 174.016 174.016 174.128 -0.112 18504 809 1 2 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.071 -2.252 18504 810 1 2 . 1 1 81 81 PHE CB C 81 39.773 39.773 43.118 -3.345 18504 811 1 2 . 1 1 81 81 PHE H H 81 9.152 9.152 7.784 1.368 18504 812 1 2 . 1 1 82 82 LEU N N 82 124.640 124.640 122.491 2.149 18504 813 1 2 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.641 0.352 18504 814 1 2 . 1 1 82 82 LEU C C 82 173.695 173.695 175.549 -1.854 18504 815 1 2 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.957 -0.207 18504 816 1 2 . 1 1 82 82 LEU CB C 82 44.936 44.936 41.877 3.059 18504 817 1 2 . 1 1 82 82 LEU H H 82 9.147 9.147 8.383 0.764 18504 818 1 2 . 1 1 83 83 CYS N N 83 126.066 126.066 126.185 -0.119 18504 819 1 2 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.738 0.500 18504 820 1 2 . 1 1 83 83 CYS C C 83 173.733 173.733 173.410 0.323 18504 821 1 2 . 1 1 83 83 CYS CA C 83 56.361 56.361 58.024 -1.663 18504 822 1 2 . 1 1 83 83 CYS CB C 83 28.374 28.374 28.568 -0.194 18504 823 1 2 . 1 1 83 83 CYS H H 83 9.065 9.065 8.418 0.647 18504 824 1 2 . 1 1 84 84 ILE N N 84 126.110 126.110 129.217 -3.107 18504 825 1 2 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.693 -0.334 18504 826 1 2 . 1 1 84 84 ILE C C 84 174.745 174.745 174.512 0.233 18504 827 1 2 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.161 0.358 18504 828 1 2 . 1 1 84 84 ILE CB C 84 40.358 40.358 40.198 0.160 18504 829 1 2 . 1 1 84 84 ILE H H 84 9.426 9.426 9.278 0.148 18504 830 1 2 . 1 1 85 85 PHE N N 85 126.315 126.315 127.655 -1.340 18504 831 1 2 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.939 0.080 18504 832 1 2 . 1 1 85 85 PHE C C 85 175.358 175.358 174.563 0.795 18504 833 1 2 . 1 1 85 85 PHE CA C 85 57.731 57.731 57.120 0.611 18504 834 1 2 . 1 1 85 85 PHE CB C 85 38.742 38.742 41.384 -2.642 18504 835 1 2 . 1 1 85 85 PHE H H 85 8.337 8.337 8.466 -0.129 18504 836 1 2 . 1 1 86 86 ILE N N 86 126.561 126.561 126.492 0.069 18504 837 1 2 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.717 0.186 18504 838 1 2 . 1 1 86 86 ILE C C 86 173.967 173.967 173.475 0.492 18504 839 1 2 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.027 -1.641 18504 840 1 2 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.657 -1.846 18504 841 1 2 . 1 1 86 86 ILE H H 86 9.161 9.161 8.616 0.545 18504 842 1 2 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.845 0.177 18504 843 1 2 . 1 1 87 87 PRO C C 87 177.938 177.938 175.812 2.126 18504 844 1 2 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.401 0.107 18504 845 1 2 . 1 1 87 87 PRO CB C 87 32.534 32.534 33.054 -0.520 18504 846 1 2 . 1 1 88 88 THR N N 88 113.282 113.282 117.425 -4.143 18504 847 1 2 . 1 1 88 88 THR HA H 88 4.486 4.486 4.413 0.073 18504 848 1 2 . 1 1 88 88 THR C C 88 176.082 176.082 173.523 2.559 18504 849 1 2 . 1 1 88 88 THR CA C 88 60.306 60.306 59.950 0.355 18504 850 1 2 . 1 1 88 88 THR CB C 88 66.727 66.727 71.177 -4.450 18504 851 1 2 . 1 1 88 88 THR H H 88 8.003 8.003 7.989 0.014 18504 852 1 2 . 1 1 89 89 LEU N N 89 122.317 122.317 121.157 1.160 18504 853 1 2 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.453 -0.444 18504 854 1 2 . 1 1 89 89 LEU C C 89 175.776 175.776 176.459 -0.683 18504 855 1 2 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.570 -0.601 18504 856 1 2 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.755 -0.759 18504 857 1 2 . 1 1 89 89 LEU H H 89 7.822 7.822 8.177 -0.355 18504 858 1 2 . 1 1 90 90 PHE N N 90 114.801 114.801 116.048 -1.247 18504 859 1 2 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.151 1.409 18504 860 1 2 . 1 1 90 90 PHE C C 90 175.869 175.869 174.789 1.080 18504 861 1 2 . 1 1 90 90 PHE CA C 90 55.096 55.096 59.185 -4.089 18504 862 1 2 . 1 1 90 90 PHE CB C 90 40.107 40.107 36.573 3.534 18504 863 1 2 . 1 1 90 90 PHE H H 90 7.110 7.110 7.411 -0.301 18504 864 1 2 . 1 1 91 91 ASP N N 91 127.244 127.244 116.571 10.673 18504 865 1 2 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.754 -0.197 18504 866 1 2 . 1 1 91 91 ASP C C 91 175.684 175.684 175.419 0.265 18504 867 1 2 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.573 -1.604 18504 868 1 2 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.757 0.459 18504 869 1 2 . 1 1 91 91 ASP H H 91 9.852 9.852 8.486 1.366 18504 870 1 2 . 1 1 92 92 MET N N 92 113.730 113.730 117.569 -3.839 18504 871 1 2 . 1 1 92 92 MET HA H 92 4.278 4.278 4.395 -0.117 18504 872 1 2 . 1 1 92 92 MET C C 92 177.571 177.571 176.573 0.998 18504 873 1 2 . 1 1 92 92 MET CA C 92 58.815 58.815 56.813 2.002 18504 874 1 2 . 1 1 92 92 MET CB C 92 32.010 32.010 33.398 -1.388 18504 875 1 2 . 1 1 92 92 MET H H 92 8.574 8.574 7.815 0.759 18504 876 1 2 . 1 1 93 93 ASN N N 93 115.175 115.175 117.493 -2.318 18504 877 1 2 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.719 0.030 18504 878 1 2 . 1 1 93 93 ASN C C 93 176.300 176.300 175.189 1.111 18504 879 1 2 . 1 1 93 93 ASN CA C 93 55.193 55.193 53.210 1.983 18504 880 1 2 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.931 0.495 18504 881 1 2 . 1 1 93 93 ASN H H 93 8.576 8.576 8.222 0.354 18504 882 1 2 . 1 1 94 94 ASN N N 94 119.005 119.005 117.249 1.756 18504 883 1 2 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.439 0.752 18504 884 1 2 . 1 1 94 94 ASN C C 94 177.230 177.230 174.436 2.794 18504 885 1 2 . 1 1 94 94 ASN CA C 94 52.631 52.631 53.811 -1.180 18504 886 1 2 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.201 0.892 18504 887 1 2 . 1 1 94 94 ASN H H 94 8.049 8.049 8.127 -0.078 18504 888 1 2 . 1 1 95 95 MET N N 95 117.771 117.771 110.759 7.012 18504 889 1 2 . 1 1 95 95 MET HA H 95 4.048 4.048 4.451 -0.403 18504 890 1 2 . 1 1 95 95 MET C C 95 178.005 178.005 175.414 2.591 18504 891 1 2 . 1 1 95 95 MET CA C 95 58.275 58.275 56.835 1.440 18504 892 1 2 . 1 1 95 95 MET CB C 95 32.327 32.327 30.389 1.938 18504 893 1 2 . 1 1 95 95 MET H H 95 7.489 7.489 8.195 -0.706 18504 894 1 2 . 1 1 96 96 ASP N N 96 115.629 115.629 120.702 -5.073 18504 895 1 2 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.705 -0.102 18504 896 1 2 . 1 1 96 96 ASP C C 96 175.593 175.593 174.437 1.156 18504 897 1 2 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.111 0.829 18504 898 1 2 . 1 1 96 96 ASP CB C 96 39.445 39.445 39.488 -0.043 18504 899 1 2 . 1 1 96 96 ASP H H 96 7.777 7.777 8.558 -0.781 18504 900 1 2 . 1 1 97 97 LEU N N 97 116.343 116.343 119.573 -3.230 18504 901 1 2 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.558 0.059 18504 902 1 2 . 1 1 97 97 LEU C C 97 174.835 174.835 176.855 -2.020 18504 903 1 2 . 1 1 97 97 LEU CA C 97 54.433 54.433 56.169 -1.736 18504 904 1 2 . 1 1 97 97 LEU CB C 97 39.082 39.082 43.004 -3.922 18504 905 1 2 . 1 1 97 97 LEU H H 97 8.027 8.027 7.487 0.540 18504 906 1 2 . 1 1 98 98 LEU N N 98 118.769 118.769 121.054 -2.285 18504 907 1 2 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.041 -0.677 18504 908 1 2 . 1 1 98 98 LEU C C 98 177.586 177.586 178.751 -1.165 18504 909 1 2 . 1 1 98 98 LEU CA C 98 57.219 57.219 57.929 -0.710 18504 910 1 2 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.350 -2.250 18504 911 1 2 . 1 1 98 98 LEU H H 98 7.798 7.798 8.519 -0.721 18504 912 1 2 . 1 1 99 99 LYS N N 99 117.567 117.567 118.316 -0.749 18504 913 1 2 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.898 -0.482 18504 914 1 2 . 1 1 99 99 LYS C C 99 177.639 177.639 179.176 -1.537 18504 915 1 2 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.648 1.185 18504 916 1 2 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.934 0.110 18504 917 1 2 . 1 1 99 99 LYS H H 99 7.603 7.603 8.194 -0.591 18504 918 1 2 . 1 1 100 100 GLN N N 100 114.564 114.564 119.222 -4.658 18504 919 1 2 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.189 -0.377 18504 920 1 2 . 1 1 100 100 GLN C C 100 178.165 178.165 177.789 0.376 18504 921 1 2 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.103 0.681 18504 922 1 2 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.394 -0.911 18504 923 1 2 . 1 1 100 100 GLN H H 100 7.625 7.625 7.741 -0.116 18504 924 1 2 . 1 1 101 101 ALA N N 101 121.499 121.499 123.048 -1.549 18504 925 1 2 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.115 -0.827 18504 926 1 2 . 1 1 101 101 ALA C C 101 178.865 178.865 180.037 -1.172 18504 927 1 2 . 1 1 101 101 ALA CA C 101 54.964 54.964 55.129 -0.165 18504 928 1 2 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.284 -0.423 18504 929 1 2 . 1 1 101 101 ALA H H 101 7.355 7.355 7.714 -0.359 18504 930 1 2 . 1 1 102 102 LEU N N 102 115.061 115.061 117.936 -2.875 18504 931 1 2 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.006 0.760 18504 932 1 2 . 1 1 102 102 LEU C C 102 179.324 179.324 179.012 0.312 18504 933 1 2 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.411 0.085 18504 934 1 2 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.898 -0.170 18504 935 1 2 . 1 1 102 102 LEU H H 102 7.941 7.941 8.513 -0.572 18504 936 1 2 . 1 1 103 103 LEU N N 103 115.920 115.920 120.191 -4.271 18504 937 1 2 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.098 0.739 18504 938 1 2 . 1 1 103 103 LEU C C 103 178.500 178.500 179.374 -0.874 18504 939 1 2 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.697 -2.808 18504 940 1 2 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.227 1.539 18504 941 1 2 . 1 1 103 103 LEU H H 103 8.266 8.266 7.413 0.853 18504 942 1 2 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.057 0.578 18504 943 1 2 . 1 1 105 105 LEU C C 105 175.743 175.743 178.782 -3.039 18504 944 1 2 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.731 -0.634 18504 945 1 2 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.351 -1.573 18504 946 1 2 . 1 1 106 106 HIS N N 106 122.167 122.167 119.412 2.755 18504 947 1 2 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.514 -0.248 18504 948 1 2 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.023 -1.909 18504 949 1 2 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.541 0.584 18504 950 1 2 . 1 1 106 106 HIS H H 106 8.252 8.252 7.917 0.335 18504 951 1 2 . 1 1 107 107 ASN C C 107 179.694 179.694 175.855 3.839 18504 952 1 2 . 1 1 107 107 ASN CA C 107 58.331 58.331 55.669 2.663 18504 953 1 2 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.419 3.578 18504 954 1 2 . 1 1 108 108 ASP N N 108 122.462 122.462 118.555 3.907 18504 955 1 2 . 1 1 108 108 ASP C C 108 179.328 179.328 177.372 1.956 18504 956 1 2 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.724 0.965 18504 957 1 2 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.411 0.629 18504 958 1 2 . 1 1 108 108 ASP H H 108 8.174 8.174 7.370 0.804 18504 959 1 2 . 1 1 109 109 LEU N N 109 115.664 115.664 117.966 -2.302 18504 960 1 2 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.252 0.600 18504 961 1 2 . 1 1 109 109 LEU C C 109 178.510 178.510 178.275 0.235 18504 962 1 2 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.297 -1.143 18504 963 1 2 . 1 1 109 109 LEU CB C 109 44.148 44.148 43.236 0.912 18504 964 1 2 . 1 1 109 109 LEU H H 109 8.380 8.380 7.638 0.742 18504 965 1 2 . 1 1 110 110 HIS N N 110 118.905 118.905 117.159 1.746 18504 966 1 2 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.112 -0.202 18504 967 1 2 . 1 1 110 110 HIS C C 110 176.152 176.152 176.987 -0.835 18504 968 1 2 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.470 2.542 18504 969 1 2 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.166 -1.054 18504 970 1 2 . 1 1 110 110 HIS H H 110 8.518 8.518 8.055 0.463 18504 971 1 2 . 1 1 111 111 GLU N N 111 117.923 117.923 118.484 -0.561 18504 972 1 2 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.010 -0.279 18504 973 1 2 . 1 1 111 111 GLU C C 111 176.596 176.596 176.814 -0.218 18504 974 1 2 . 1 1 111 111 GLU CA C 111 58.394 58.394 59.141 -0.747 18504 975 1 2 . 1 1 111 111 GLU CB C 111 29.044 29.044 30.410 -1.366 18504 976 1 2 . 1 1 111 111 GLU H H 111 8.018 8.018 8.124 -0.106 18504 977 1 2 . 1 1 112 112 TYR N N 112 114.607 114.607 114.954 -0.347 18504 978 1 2 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.451 -0.014 18504 979 1 2 . 1 1 112 112 TYR C C 112 174.448 174.448 175.723 -1.275 18504 980 1 2 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.797 -1.025 18504 981 1 2 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.105 -0.118 18504 982 1 2 . 1 1 112 112 TYR H H 112 7.905 7.905 7.648 0.257 18504 983 1 2 . 1 1 113 113 VAL N N 113 118.003 118.003 120.221 -2.218 18504 984 1 2 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.795 0.311 18504 985 1 2 . 1 1 113 113 VAL C C 113 175.134 175.134 174.990 0.144 18504 986 1 2 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.662 -0.975 18504 987 1 2 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.272 2.956 18504 988 1 2 . 1 1 113 113 VAL H H 113 6.976 6.976 8.515 -1.539 18504 989 1 3 . 1 1 27 27 SER HA H 27 4.339 4.339 4.055 0.284 18504 990 1 3 . 1 1 27 27 SER C C 27 175.743 175.743 173.654 2.089 18504 991 1 3 . 1 1 27 27 SER CA C 27 60.497 60.497 60.920 -0.423 18504 992 1 3 . 1 1 27 27 SER CB C 27 63.659 63.659 62.632 1.027 18504 993 1 3 . 1 1 28 28 LYS N N 28 118.099 118.099 123.291 -5.192 18504 994 1 3 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.545 0.673 18504 995 1 3 . 1 1 28 28 LYS C C 28 175.699 175.699 175.145 0.554 18504 996 1 3 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.912 -0.367 18504 997 1 3 . 1 1 28 28 LYS CB C 28 35.913 35.913 33.812 2.101 18504 998 1 3 . 1 1 28 28 LYS H H 28 7.785 7.785 8.232 -0.447 18504 999 1 3 . 1 1 29 29 GLN N N 29 122.481 122.481 124.436 -1.955 18504 1000 1 3 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.617 0.121 18504 1001 1 3 . 1 1 29 29 GLN C C 29 174.277 174.277 173.941 0.336 18504 1002 1 3 . 1 1 29 29 GLN CA C 29 55.525 55.525 55.020 0.505 18504 1003 1 3 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.837 0.034 18504 1004 1 3 . 1 1 29 29 GLN H H 29 9.283 9.283 8.390 0.893 18504 1005 1 3 . 1 1 30 30 GLU N N 30 122.881 122.881 122.337 0.544 18504 1006 1 3 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.719 -0.443 18504 1007 1 3 . 1 1 30 30 GLU C C 30 173.313 173.313 174.400 -1.087 18504 1008 1 3 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.667 1.286 18504 1009 1 3 . 1 1 30 30 GLU CB C 30 31.054 31.054 32.595 -1.541 18504 1010 1 3 . 1 1 30 30 GLU H H 30 9.188 9.188 8.528 0.660 18504 1011 1 3 . 1 1 31 31 LEU N N 31 130.328 130.328 124.998 5.330 18504 1012 1 3 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.671 -0.378 18504 1013 1 3 . 1 1 31 31 LEU C C 31 171.909 171.909 175.349 -3.440 18504 1014 1 3 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.586 -0.305 18504 1015 1 3 . 1 1 31 31 LEU CB C 31 42.450 42.450 45.049 -2.599 18504 1016 1 3 . 1 1 31 31 LEU H H 31 9.016 9.016 8.326 0.690 18504 1017 1 3 . 1 1 32 32 ILE N N 32 120.632 120.632 122.398 -1.766 18504 1018 1 3 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.009 1.519 18504 1019 1 3 . 1 1 32 32 ILE C C 32 175.735 175.735 174.931 0.804 18504 1020 1 3 . 1 1 32 32 ILE CA C 32 59.224 59.224 61.619 -2.395 18504 1021 1 3 . 1 1 32 32 ILE CB C 32 36.625 36.625 38.062 -1.437 18504 1022 1 3 . 1 1 32 32 ILE H H 32 8.738 8.738 8.259 0.479 18504 1023 1 3 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.625 -0.628 18504 1024 1 3 . 1 1 33 33 LEU C C 33 180.030 180.030 174.851 5.179 18504 1025 1 3 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.983 4.350 18504 1026 1 3 . 1 1 33 33 LEU CB C 33 41.433 41.433 44.835 -3.402 18504 1027 1 3 . 1 1 34 34 VAL N N 34 124.025 124.025 120.192 3.833 18504 1028 1 3 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.057 -0.440 18504 1029 1 3 . 1 1 34 34 VAL C C 34 178.222 178.222 174.166 4.056 18504 1030 1 3 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.321 4.801 18504 1031 1 3 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.959 3.983 18504 1032 1 3 . 1 1 34 34 VAL H H 34 7.751 7.751 8.029 -0.278 18504 1033 1 3 . 1 1 35 35 LEU N N 35 120.009 120.009 126.612 -6.603 18504 1034 1 3 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.570 -0.294 18504 1035 1 3 . 1 1 35 35 LEU C C 35 175.855 175.855 175.702 0.153 18504 1036 1 3 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.370 4.005 18504 1037 1 3 . 1 1 35 35 LEU CB C 35 43.089 43.089 44.677 -1.588 18504 1038 1 3 . 1 1 35 35 LEU H H 35 7.532 7.532 8.384 -0.852 18504 1039 1 3 . 1 1 36 36 LYS N N 36 115.805 115.805 121.841 -6.036 18504 1040 1 3 . 1 1 36 36 LYS C C 36 178.903 178.903 175.776 3.127 18504 1041 1 3 . 1 1 36 36 LYS CA C 36 58.347 58.347 55.576 2.771 18504 1042 1 3 . 1 1 36 36 LYS CB C 36 32.903 32.903 34.217 -1.313 18504 1043 1 3 . 1 1 36 36 LYS H H 36 7.501 7.501 8.214 -0.713 18504 1044 1 3 . 1 1 37 37 GLY N N 37 110.626 110.626 111.034 -0.408 18504 1045 1 3 . 1 1 37 37 GLY C C 37 174.865 174.865 173.531 1.334 18504 1046 1 3 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.902 2.564 18504 1047 1 3 . 1 1 37 37 GLY H H 37 8.811 8.811 8.156 0.655 18504 1048 1 3 . 1 1 38 38 GLU N N 38 116.098 116.098 120.337 -4.239 18504 1049 1 3 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.462 -0.160 18504 1050 1 3 . 1 1 38 38 GLU C C 38 176.681 176.681 176.605 0.076 18504 1051 1 3 . 1 1 38 38 GLU CA C 38 57.184 57.184 57.156 0.028 18504 1052 1 3 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.285 -1.456 18504 1053 1 3 . 1 1 38 38 GLU H H 38 8.763 8.763 8.710 0.053 18504 1054 1 3 . 1 1 39 39 LEU N N 39 119.439 119.439 123.033 -3.594 18504 1055 1 3 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.549 -0.283 18504 1056 1 3 . 1 1 39 39 LEU C C 39 176.016 176.016 175.751 0.265 18504 1057 1 3 . 1 1 39 39 LEU CA C 39 54.725 54.725 54.341 0.384 18504 1058 1 3 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.849 0.753 18504 1059 1 3 . 1 1 39 39 LEU H H 39 7.167 7.167 7.901 -0.734 18504 1060 1 3 . 1 1 40 40 ASP N N 40 120.105 120.105 122.609 -2.504 18504 1061 1 3 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.660 0.068 18504 1062 1 3 . 1 1 40 40 ASP C C 40 178.198 178.198 177.067 1.131 18504 1063 1 3 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.159 -1.969 18504 1064 1 3 . 1 1 40 40 ASP CB C 40 40.557 40.557 42.013 -1.456 18504 1065 1 3 . 1 1 40 40 ASP H H 40 8.596 8.596 8.670 -0.074 18504 1066 1 3 . 1 1 41 41 LEU N N 41 125.023 125.023 118.142 6.881 18504 1067 1 3 . 1 1 41 41 LEU HA H 41 3.753 3.753 3.893 -0.140 18504 1068 1 3 . 1 1 41 41 LEU C C 41 175.113 175.113 177.232 -2.119 18504 1069 1 3 . 1 1 41 41 LEU CA C 41 56.667 56.667 56.958 -0.291 18504 1070 1 3 . 1 1 41 41 LEU CB C 41 39.849 39.849 41.468 -1.619 18504 1071 1 3 . 1 1 41 41 LEU H H 41 9.029 9.029 8.142 0.887 18504 1072 1 3 . 1 1 42 42 HIS N N 42 113.184 113.184 120.048 -6.864 18504 1073 1 3 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.526 -0.002 18504 1074 1 3 . 1 1 42 42 HIS C C 42 175.855 175.855 174.446 1.409 18504 1075 1 3 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.555 0.361 18504 1076 1 3 . 1 1 42 42 HIS CB C 42 30.137 30.137 28.855 1.282 18504 1077 1 3 . 1 1 42 42 HIS H H 42 8.065 8.065 8.308 -0.243 18504 1078 1 3 . 1 1 43 43 SER N N 43 116.013 116.013 119.348 -3.335 18504 1079 1 3 . 1 1 43 43 SER HA H 43 4.524 4.524 4.533 -0.009 18504 1080 1 3 . 1 1 43 43 SER C C 43 174.426 174.426 175.725 -1.299 18504 1081 1 3 . 1 1 43 43 SER CA C 43 58.206 58.206 59.665 -1.459 18504 1082 1 3 . 1 1 43 43 SER CB C 43 65.517 65.517 63.253 2.264 18504 1083 1 3 . 1 1 43 43 SER H H 43 7.511 7.511 8.206 -0.695 18504 1084 1 3 . 1 1 44 44 LYS N N 44 123.332 123.332 126.203 -2.871 18504 1085 1 3 . 1 1 44 44 LYS C C 44 177.791 177.791 177.551 0.240 18504 1086 1 3 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.018 1.438 18504 1087 1 3 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.517 -2.345 18504 1088 1 3 . 1 1 44 44 LYS H H 44 8.846 8.846 8.609 0.237 18504 1089 1 3 . 1 1 45 45 ASN N N 45 118.501 118.501 117.063 1.438 18504 1090 1 3 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.370 0.100 18504 1091 1 3 . 1 1 45 45 ASN C C 45 177.817 177.817 177.500 0.317 18504 1092 1 3 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.355 0.573 18504 1093 1 3 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.947 0.457 18504 1094 1 3 . 1 1 45 45 ASN H H 45 8.545 8.545 8.579 -0.034 18504 1095 1 3 . 1 1 46 46 MET N N 46 116.171 116.171 116.619 -0.448 18504 1096 1 3 . 1 1 46 46 MET HA H 46 4.471 4.471 4.286 0.185 18504 1097 1 3 . 1 1 46 46 MET C C 46 178.964 178.964 177.937 1.027 18504 1098 1 3 . 1 1 46 46 MET CA C 46 55.467 55.467 59.137 -3.670 18504 1099 1 3 . 1 1 46 46 MET CB C 46 29.707 29.707 32.209 -2.502 18504 1100 1 3 . 1 1 46 46 MET H H 46 7.379 7.379 7.737 -0.358 18504 1101 1 3 . 1 1 47 47 LYS N N 47 121.054 121.054 118.569 2.485 18504 1102 1 3 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.030 -0.146 18504 1103 1 3 . 1 1 47 47 LYS C C 47 179.310 179.310 178.269 1.041 18504 1104 1 3 . 1 1 47 47 LYS CA C 47 60.339 60.339 58.949 1.390 18504 1105 1 3 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.967 -0.217 18504 1106 1 3 . 1 1 47 47 LYS H H 47 8.450 8.450 7.885 0.565 18504 1107 1 3 . 1 1 48 48 ASN N N 48 117.137 117.137 118.134 -0.997 18504 1108 1 3 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.460 -0.579 18504 1109 1 3 . 1 1 48 48 ASN C C 48 177.733 177.733 177.264 0.469 18504 1110 1 3 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.256 0.284 18504 1111 1 3 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.782 -0.449 18504 1112 1 3 . 1 1 48 48 ASN H H 48 7.896 7.896 7.408 0.488 18504 1113 1 3 . 1 1 49 49 VAL N N 49 121.225 121.225 120.739 0.486 18504 1114 1 3 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.608 0.071 18504 1115 1 3 . 1 1 49 49 VAL C C 49 176.675 176.675 177.526 -0.851 18504 1116 1 3 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.296 0.138 18504 1117 1 3 . 1 1 49 49 VAL CB C 49 32.069 32.069 30.946 1.123 18504 1118 1 3 . 1 1 49 49 VAL H H 49 7.869 7.869 7.713 0.156 18504 1119 1 3 . 1 1 50 50 ILE N N 50 120.523 120.523 120.139 0.384 18504 1120 1 3 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.548 0.702 18504 1121 1 3 . 1 1 50 50 ILE C C 50 179.831 179.831 177.956 1.875 18504 1122 1 3 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.311 -6.372 18504 1123 1 3 . 1 1 50 50 ILE CB C 50 40.112 40.112 36.831 3.281 18504 1124 1 3 . 1 1 50 50 ILE H H 50 8.093 8.093 7.471 0.622 18504 1125 1 3 . 1 1 51 51 ASN N N 51 117.280 117.280 118.560 -1.280 18504 1126 1 3 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.480 -0.461 18504 1127 1 3 . 1 1 51 51 ASN C C 51 178.496 178.496 177.692 0.804 18504 1128 1 3 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.086 0.526 18504 1129 1 3 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.374 -0.019 18504 1130 1 3 . 1 1 51 51 ASN H H 51 7.953 7.953 7.734 0.219 18504 1131 1 3 . 1 1 52 52 ASN N N 52 118.893 118.893 119.781 -0.888 18504 1132 1 3 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.398 0.017 18504 1133 1 3 . 1 1 52 52 ASN C C 52 176.434 176.434 177.074 -0.640 18504 1134 1 3 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.851 -0.081 18504 1135 1 3 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.310 0.043 18504 1136 1 3 . 1 1 52 52 ASN H H 52 8.347 8.347 8.038 0.309 18504 1137 1 3 . 1 1 53 53 ALA N N 53 122.291 122.291 121.450 0.841 18504 1138 1 3 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.000 0.514 18504 1139 1 3 . 1 1 53 53 ALA C C 53 180.689 180.689 179.137 1.552 18504 1140 1 3 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.130 -0.230 18504 1141 1 3 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.320 -0.419 18504 1142 1 3 . 1 1 53 53 ALA H H 53 7.706 7.706 8.765 -1.059 18504 1143 1 3 . 1 1 54 54 LYS N N 54 119.091 119.091 118.475 0.616 18504 1144 1 3 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.123 -0.286 18504 1145 1 3 . 1 1 54 54 LYS C C 54 178.066 178.066 178.368 -0.302 18504 1146 1 3 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.132 1.174 18504 1147 1 3 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.362 -0.274 18504 1148 1 3 . 1 1 54 54 LYS H H 54 8.375 8.375 7.626 0.749 18504 1149 1 3 . 1 1 55 55 LYS N N 55 119.370 119.370 119.580 -0.210 18504 1150 1 3 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.926 -0.053 18504 1151 1 3 . 1 1 55 55 LYS C C 55 179.819 179.819 179.361 0.458 18504 1152 1 3 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.603 0.683 18504 1153 1 3 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.341 -0.351 18504 1154 1 3 . 1 1 55 55 LYS H H 55 8.259 8.259 8.024 0.235 18504 1155 1 3 . 1 1 56 56 ASN N N 56 119.303 119.303 117.803 1.500 18504 1156 1 3 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.251 0.158 18504 1157 1 3 . 1 1 56 56 ASN C C 56 178.899 178.899 176.544 2.355 18504 1158 1 3 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.856 -0.116 18504 1159 1 3 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.352 -1.249 18504 1160 1 3 . 1 1 56 56 ASN H H 56 8.235 8.235 8.278 -0.043 18504 1161 1 3 . 1 1 57 57 LEU N N 57 123.252 123.252 122.287 0.965 18504 1162 1 3 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.369 0.313 18504 1163 1 3 . 1 1 57 57 LEU C C 57 178.541 178.541 178.950 -0.409 18504 1164 1 3 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.316 -0.117 18504 1165 1 3 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.210 1.416 18504 1166 1 3 . 1 1 57 57 LEU H H 57 8.210 8.210 7.788 0.422 18504 1167 1 3 . 1 1 58 58 GLU N N 58 118.795 118.795 117.412 1.383 18504 1168 1 3 . 1 1 58 58 GLU HA H 58 4.003 4.003 4.034 -0.031 18504 1169 1 3 . 1 1 58 58 GLU C C 58 177.333 177.333 179.086 -1.753 18504 1170 1 3 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.276 1.869 18504 1171 1 3 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.059 1.253 18504 1172 1 3 . 1 1 58 58 GLU H H 58 8.846 8.846 8.005 0.841 18504 1173 1 3 . 1 1 59 59 LYS N N 59 118.325 118.325 119.554 -1.229 18504 1174 1 3 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.920 0.555 18504 1175 1 3 . 1 1 59 59 LYS C C 59 178.428 178.428 179.242 -0.814 18504 1176 1 3 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.379 0.766 18504 1177 1 3 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.066 0.622 18504 1178 1 3 . 1 1 59 59 LYS H H 59 8.373 8.373 7.433 0.940 18504 1179 1 3 . 1 1 60 60 TYR N N 60 119.345 119.345 117.816 1.529 18504 1180 1 3 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.367 -0.040 18504 1181 1 3 . 1 1 60 60 TYR C C 60 178.899 178.899 178.424 0.475 18504 1182 1 3 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.846 2.548 18504 1183 1 3 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.216 0.078 18504 1184 1 3 . 1 1 60 60 TYR H H 60 7.532 7.532 7.077 0.455 18504 1185 1 3 . 1 1 61 61 PHE N N 61 118.931 118.931 120.075 -1.144 18504 1186 1 3 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.286 0.042 18504 1187 1 3 . 1 1 61 61 PHE C C 61 178.450 178.450 177.422 1.028 18504 1188 1 3 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.569 0.825 18504 1189 1 3 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.175 -1.252 18504 1190 1 3 . 1 1 61 61 PHE H H 61 8.607 8.607 8.221 0.386 18504 1191 1 3 . 1 1 62 62 LYS N N 62 118.337 118.337 118.875 -0.538 18504 1192 1 3 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.204 0.098 18504 1193 1 3 . 1 1 62 62 LYS C C 62 178.333 178.333 177.587 0.746 18504 1194 1 3 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.681 0.630 18504 1195 1 3 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.507 0.342 18504 1196 1 3 . 1 1 62 62 LYS H H 62 8.615 8.615 8.366 0.249 18504 1197 1 3 . 1 1 63 63 GLU N N 63 116.360 116.360 117.545 -1.185 18504 1198 1 3 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.334 -0.408 18504 1199 1 3 . 1 1 63 63 GLU C C 63 177.317 177.317 177.845 -0.528 18504 1200 1 3 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.124 0.192 18504 1201 1 3 . 1 1 63 63 GLU CB C 63 29.356 29.356 31.096 -1.740 18504 1202 1 3 . 1 1 63 63 GLU H H 63 7.547 7.547 7.656 -0.109 18504 1203 1 3 . 1 1 64 64 HIS N N 64 113.580 113.580 116.115 -2.535 18504 1204 1 3 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.745 -0.324 18504 1205 1 3 . 1 1 64 64 HIS C C 64 173.911 173.911 174.686 -0.775 18504 1206 1 3 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.338 2.744 18504 1207 1 3 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.368 1.467 18504 1208 1 3 . 1 1 64 64 HIS H H 64 7.013 7.013 8.427 -1.414 18504 1209 1 3 . 1 1 65 65 PHE N N 65 119.434 119.434 116.732 2.702 18504 1210 1 3 . 1 1 65 65 PHE HA H 65 4.936 4.936 3.743 1.193 18504 1211 1 3 . 1 1 65 65 PHE C C 65 175.232 175.232 173.860 1.372 18504 1212 1 3 . 1 1 65 65 PHE CA C 65 57.223 57.223 58.944 -1.721 18504 1213 1 3 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.645 2.717 18504 1214 1 3 . 1 1 65 65 PHE H H 65 8.340 8.340 7.816 0.524 18504 1215 1 3 . 1 1 66 66 LYS N N 66 123.217 123.217 115.084 8.133 18504 1216 1 3 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.630 -0.342 18504 1217 1 3 . 1 1 66 66 LYS C C 66 177.685 177.685 174.487 3.198 18504 1218 1 3 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.103 2.695 18504 1219 1 3 . 1 1 66 66 LYS CB C 66 32.473 32.473 34.459 -1.986 18504 1220 1 3 . 1 1 66 66 LYS H H 66 8.590 8.590 7.387 1.203 18504 1221 1 3 . 1 1 67 67 GLU N N 67 117.085 117.085 121.642 -4.557 18504 1222 1 3 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.674 -0.313 18504 1223 1 3 . 1 1 67 67 GLU C C 67 175.770 175.770 175.117 0.653 18504 1224 1 3 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.162 0.202 18504 1225 1 3 . 1 1 67 67 GLU CB C 67 29.103 29.103 32.684 -3.581 18504 1226 1 3 . 1 1 67 67 GLU H H 67 8.969 8.969 8.410 0.559 18504 1227 1 3 . 1 1 68 68 PHE N N 68 121.127 121.127 123.639 -2.512 18504 1228 1 3 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.699 -0.427 18504 1229 1 3 . 1 1 68 68 PHE C C 68 173.621 173.621 174.582 -0.961 18504 1230 1 3 . 1 1 68 68 PHE CA C 68 59.096 59.096 56.924 2.172 18504 1231 1 3 . 1 1 68 68 PHE CB C 68 40.772 40.772 38.528 2.244 18504 1232 1 3 . 1 1 68 68 PHE H H 68 7.752 7.752 9.041 -1.289 18504 1233 1 3 . 1 1 69 69 ASP N N 69 125.720 125.720 119.490 6.230 18504 1234 1 3 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.726 -0.123 18504 1235 1 3 . 1 1 69 69 ASP C C 69 173.387 173.387 174.495 -1.108 18504 1236 1 3 . 1 1 69 69 ASP CA C 69 54.881 54.881 53.697 1.184 18504 1237 1 3 . 1 1 69 69 ASP CB C 69 41.806 41.806 42.022 -0.216 18504 1238 1 3 . 1 1 69 69 ASP H H 69 7.767 7.767 7.799 -0.032 18504 1239 1 3 . 1 1 70 70 LYS N N 70 115.004 115.004 123.436 -8.432 18504 1240 1 3 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.661 -0.212 18504 1241 1 3 . 1 1 70 70 LYS C C 70 175.841 175.841 175.180 0.661 18504 1242 1 3 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.790 0.696 18504 1243 1 3 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.400 -0.619 18504 1244 1 3 . 1 1 70 70 LYS H H 70 7.305 7.305 8.150 -0.845 18504 1245 1 3 . 1 1 71 71 ILE N N 71 122.809 122.809 119.138 3.671 18504 1246 1 3 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.322 0.387 18504 1247 1 3 . 1 1 71 71 ILE C C 71 175.120 175.120 174.560 0.560 18504 1248 1 3 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.532 -1.280 18504 1249 1 3 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.255 -1.953 18504 1250 1 3 . 1 1 71 71 ILE H H 71 9.522 9.522 8.254 1.268 18504 1251 1 3 . 1 1 72 72 SER N N 72 121.741 121.741 119.997 1.744 18504 1252 1 3 . 1 1 72 72 SER HA H 72 4.920 4.920 5.019 -0.099 18504 1253 1 3 . 1 1 72 72 SER C C 72 172.157 172.157 172.627 -0.470 18504 1254 1 3 . 1 1 72 72 SER CA C 72 57.730 57.730 56.548 1.182 18504 1255 1 3 . 1 1 72 72 SER CB C 72 65.634 65.634 65.552 0.082 18504 1256 1 3 . 1 1 72 72 SER H H 72 8.760 8.760 8.414 0.346 18504 1257 1 3 . 1 1 73 73 TYR N N 73 118.245 118.245 119.640 -1.395 18504 1258 1 3 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.898 0.823 18504 1259 1 3 . 1 1 73 73 TYR C C 73 173.231 173.231 173.315 -0.084 18504 1260 1 3 . 1 1 73 73 TYR CA C 73 56.230 56.230 56.137 0.093 18504 1261 1 3 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.041 1.342 18504 1262 1 3 . 1 1 73 73 TYR H H 73 8.275 8.275 8.454 -0.179 18504 1263 1 3 . 1 1 74 74 ASP N N 74 120.379 120.379 120.516 -0.137 18504 1264 1 3 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.746 0.309 18504 1265 1 3 . 1 1 74 74 ASP C C 74 174.827 174.827 173.644 1.183 18504 1266 1 3 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.637 -0.036 18504 1267 1 3 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.928 0.712 18504 1268 1 3 . 1 1 74 74 ASP H H 74 9.332 9.332 8.515 0.817 18504 1269 1 3 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.748 -0.164 18504 1270 1 3 . 1 1 75 75 ILE C C 75 177.411 177.411 174.109 3.302 18504 1271 1 3 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.738 -0.529 18504 1272 1 3 . 1 1 75 75 ILE CB C 75 40.768 40.768 41.683 -0.915 18504 1273 1 3 . 1 1 75 75 ILE H H 75 7.501 7.501 8.351 -0.850 18504 1274 1 3 . 1 1 76 76 SER N N 76 117.836 117.836 120.016 -2.180 18504 1275 1 3 . 1 1 76 76 SER HA H 76 5.450 5.450 4.879 0.571 18504 1276 1 3 . 1 1 76 76 SER C C 76 173.767 173.767 172.342 1.425 18504 1277 1 3 . 1 1 76 76 SER CA C 76 57.758 57.758 57.737 0.021 18504 1278 1 3 . 1 1 76 76 SER CB C 76 64.462 64.462 65.794 -1.332 18504 1279 1 3 . 1 1 76 76 SER H H 76 9.050 9.050 8.808 0.242 18504 1280 1 3 . 1 1 77 77 THR N N 77 117.435 117.435 115.541 1.894 18504 1281 1 3 . 1 1 77 77 THR HA H 77 4.959 4.959 4.154 0.805 18504 1282 1 3 . 1 1 77 77 THR C C 77 172.636 172.636 173.485 -0.849 18504 1283 1 3 . 1 1 77 77 THR CA C 77 58.870 58.870 62.249 -3.379 18504 1284 1 3 . 1 1 77 77 THR CB C 77 69.935 69.935 68.049 1.886 18504 1285 1 3 . 1 1 77 77 THR H H 77 8.601 8.601 8.374 0.227 18504 1286 1 3 . 1 1 78 78 PRO C C 78 179.328 179.328 176.483 2.845 18504 1287 1 3 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.403 -0.920 18504 1288 1 3 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.932 0.230 18504 1289 1 3 . 1 1 79 79 ILE N N 79 120.707 120.707 118.433 2.274 18504 1290 1 3 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.259 0.362 18504 1291 1 3 . 1 1 79 79 ILE C C 79 177.212 177.212 174.797 2.415 18504 1292 1 3 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.672 5.250 18504 1293 1 3 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.018 0.450 18504 1294 1 3 . 1 1 79 79 ILE H H 79 8.227 8.227 7.424 0.803 18504 1295 1 3 . 1 1 80 80 ASN N N 80 118.168 118.168 117.392 0.776 18504 1296 1 3 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.373 0.057 18504 1297 1 3 . 1 1 80 80 ASN C C 80 178.172 178.172 173.792 4.380 18504 1298 1 3 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.453 2.309 18504 1299 1 3 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.501 0.586 18504 1300 1 3 . 1 1 80 80 ASN H H 80 8.466 8.466 7.930 0.536 18504 1301 1 3 . 1 1 81 81 PHE N N 81 129.059 129.059 121.063 7.996 18504 1302 1 3 . 1 1 81 81 PHE C C 81 174.016 174.016 173.268 0.748 18504 1303 1 3 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.479 -2.660 18504 1304 1 3 . 1 1 81 81 PHE CB C 81 39.773 39.773 41.176 -1.403 18504 1305 1 3 . 1 1 81 81 PHE H H 81 9.152 9.152 7.960 1.192 18504 1306 1 3 . 1 1 82 82 LEU N N 82 124.640 124.640 129.417 -4.777 18504 1307 1 3 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.614 0.379 18504 1308 1 3 . 1 1 82 82 LEU C C 82 173.695 173.695 174.341 -0.646 18504 1309 1 3 . 1 1 82 82 LEU CA C 82 53.750 53.750 54.152 -0.402 18504 1310 1 3 . 1 1 82 82 LEU CB C 82 44.936 44.936 44.234 0.702 18504 1311 1 3 . 1 1 82 82 LEU H H 82 9.147 9.147 7.847 1.300 18504 1312 1 3 . 1 1 83 83 CYS N N 83 126.066 126.066 125.992 0.074 18504 1313 1 3 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.573 0.665 18504 1314 1 3 . 1 1 83 83 CYS C C 83 173.733 173.733 173.182 0.551 18504 1315 1 3 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.342 -0.981 18504 1316 1 3 . 1 1 83 83 CYS CB C 83 28.374 28.374 28.618 -0.244 18504 1317 1 3 . 1 1 83 83 CYS H H 83 9.065 9.065 8.323 0.742 18504 1318 1 3 . 1 1 84 84 ILE N N 84 126.110 126.110 126.927 -0.817 18504 1319 1 3 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.173 0.186 18504 1320 1 3 . 1 1 84 84 ILE C C 84 174.745 174.745 173.599 1.146 18504 1321 1 3 . 1 1 84 84 ILE CA C 84 60.519 60.519 61.100 -0.581 18504 1322 1 3 . 1 1 84 84 ILE CB C 84 40.358 40.358 40.093 0.265 18504 1323 1 3 . 1 1 84 84 ILE H H 84 9.426 9.426 8.073 1.353 18504 1324 1 3 . 1 1 85 85 PHE N N 85 126.315 126.315 127.312 -0.997 18504 1325 1 3 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.960 0.059 18504 1326 1 3 . 1 1 85 85 PHE C C 85 175.358 175.358 174.893 0.465 18504 1327 1 3 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.369 1.362 18504 1328 1 3 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.421 -1.679 18504 1329 1 3 . 1 1 85 85 PHE H H 85 8.337 8.337 8.734 -0.397 18504 1330 1 3 . 1 1 86 86 ILE N N 86 126.561 126.561 125.478 1.083 18504 1331 1 3 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.705 0.198 18504 1332 1 3 . 1 1 86 86 ILE C C 86 173.967 173.967 173.615 0.352 18504 1333 1 3 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.121 -1.735 18504 1334 1 3 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.368 -1.557 18504 1335 1 3 . 1 1 86 86 ILE H H 86 9.161 9.161 8.507 0.654 18504 1336 1 3 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.749 0.273 18504 1337 1 3 . 1 1 87 87 PRO C C 87 177.938 177.938 175.678 2.260 18504 1338 1 3 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.837 -0.329 18504 1339 1 3 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.664 0.870 18504 1340 1 3 . 1 1 88 88 THR N N 88 113.282 113.282 117.779 -4.497 18504 1341 1 3 . 1 1 88 88 THR HA H 88 4.486 4.486 4.599 -0.113 18504 1342 1 3 . 1 1 88 88 THR C C 88 176.082 176.082 173.531 2.551 18504 1343 1 3 . 1 1 88 88 THR CA C 88 60.306 60.306 60.395 -0.089 18504 1344 1 3 . 1 1 88 88 THR CB C 88 66.727 66.727 70.653 -3.926 18504 1345 1 3 . 1 1 88 88 THR H H 88 8.003 8.003 8.271 -0.268 18504 1346 1 3 . 1 1 89 89 LEU N N 89 122.317 122.317 127.527 -5.210 18504 1347 1 3 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.645 -0.636 18504 1348 1 3 . 1 1 89 89 LEU C C 89 175.776 175.776 176.686 -0.910 18504 1349 1 3 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.810 -0.841 18504 1350 1 3 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.778 -0.782 18504 1351 1 3 . 1 1 89 89 LEU H H 89 7.822 7.822 8.762 -0.941 18504 1352 1 3 . 1 1 90 90 PHE N N 90 114.801 114.801 118.976 -4.175 18504 1353 1 3 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.085 1.475 18504 1354 1 3 . 1 1 90 90 PHE C C 90 175.869 175.869 174.296 1.573 18504 1355 1 3 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.568 -3.472 18504 1356 1 3 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.667 1.440 18504 1357 1 3 . 1 1 90 90 PHE H H 90 7.110 7.110 7.582 -0.472 18504 1358 1 3 . 1 1 91 91 ASP N N 91 127.244 127.244 126.268 0.976 18504 1359 1 3 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.029 0.528 18504 1360 1 3 . 1 1 91 91 ASP C C 91 175.684 175.684 174.584 1.100 18504 1361 1 3 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.395 -1.426 18504 1362 1 3 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.152 1.064 18504 1363 1 3 . 1 1 91 91 ASP H H 91 9.852 9.852 8.152 1.700 18504 1364 1 3 . 1 1 92 92 MET N N 92 113.730 113.730 122.626 -8.896 18504 1365 1 3 . 1 1 92 92 MET HA H 92 4.278 4.278 4.540 -0.262 18504 1366 1 3 . 1 1 92 92 MET C C 92 177.571 177.571 174.481 3.090 18504 1367 1 3 . 1 1 92 92 MET CA C 92 58.815 58.815 55.043 3.772 18504 1368 1 3 . 1 1 92 92 MET CB C 92 32.010 32.010 31.959 0.051 18504 1369 1 3 . 1 1 92 92 MET H H 92 8.574 8.574 8.253 0.321 18504 1370 1 3 . 1 1 93 93 ASN N N 93 115.175 115.175 120.725 -5.550 18504 1371 1 3 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.783 -0.034 18504 1372 1 3 . 1 1 93 93 ASN C C 93 176.300 176.300 174.502 1.798 18504 1373 1 3 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.190 1.003 18504 1374 1 3 . 1 1 93 93 ASN CB C 93 39.426 39.426 41.111 -1.685 18504 1375 1 3 . 1 1 93 93 ASN H H 93 8.576 8.576 8.535 0.041 18504 1376 1 3 . 1 1 94 94 ASN N N 94 119.005 119.005 119.699 -0.694 18504 1377 1 3 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.664 0.527 18504 1378 1 3 . 1 1 94 94 ASN C C 94 177.230 177.230 173.883 3.347 18504 1379 1 3 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.074 -1.443 18504 1380 1 3 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.936 0.157 18504 1381 1 3 . 1 1 94 94 ASN H H 94 8.049 8.049 8.417 -0.368 18504 1382 1 3 . 1 1 95 95 MET N N 95 117.771 117.771 115.623 2.148 18504 1383 1 3 . 1 1 95 95 MET HA H 95 4.048 4.048 4.384 -0.336 18504 1384 1 3 . 1 1 95 95 MET C C 95 178.005 178.005 174.147 3.858 18504 1385 1 3 . 1 1 95 95 MET CA C 95 58.275 58.275 56.701 1.574 18504 1386 1 3 . 1 1 95 95 MET CB C 95 32.327 32.327 32.586 -0.258 18504 1387 1 3 . 1 1 95 95 MET H H 95 7.489 7.489 8.357 -0.868 18504 1388 1 3 . 1 1 96 96 ASP N N 96 115.629 115.629 119.708 -4.079 18504 1389 1 3 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.762 -0.159 18504 1390 1 3 . 1 1 96 96 ASP C C 96 175.593 175.593 174.038 1.555 18504 1391 1 3 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.069 0.871 18504 1392 1 3 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.355 -1.910 18504 1393 1 3 . 1 1 96 96 ASP H H 96 7.777 7.777 8.541 -0.764 18504 1394 1 3 . 1 1 97 97 LEU N N 97 116.343 116.343 119.403 -3.060 18504 1395 1 3 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.610 0.007 18504 1396 1 3 . 1 1 97 97 LEU C C 97 174.835 174.835 176.916 -2.081 18504 1397 1 3 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.548 -1.115 18504 1398 1 3 . 1 1 97 97 LEU CB C 97 39.082 39.082 42.470 -3.388 18504 1399 1 3 . 1 1 97 97 LEU H H 97 8.027 8.027 7.743 0.284 18504 1400 1 3 . 1 1 98 98 LEU N N 98 118.769 118.769 121.816 -3.047 18504 1401 1 3 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.065 -0.701 18504 1402 1 3 . 1 1 98 98 LEU C C 98 177.586 177.586 178.217 -0.631 18504 1403 1 3 . 1 1 98 98 LEU CA C 98 57.219 57.219 58.381 -1.162 18504 1404 1 3 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.080 -1.980 18504 1405 1 3 . 1 1 98 98 LEU H H 98 7.798 7.798 8.109 -0.311 18504 1406 1 3 . 1 1 99 99 LYS N N 99 117.567 117.567 117.766 -0.199 18504 1407 1 3 . 1 1 99 99 LYS HA H 99 3.416 3.416 4.012 -0.596 18504 1408 1 3 . 1 1 99 99 LYS C C 99 177.639 177.639 179.375 -1.736 18504 1409 1 3 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.181 1.652 18504 1410 1 3 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.626 0.418 18504 1411 1 3 . 1 1 99 99 LYS H H 99 7.603 7.603 8.530 -0.927 18504 1412 1 3 . 1 1 100 100 GLN N N 100 114.564 114.564 118.693 -4.129 18504 1413 1 3 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.172 -0.360 18504 1414 1 3 . 1 1 100 100 GLN C C 100 178.165 178.165 178.158 0.007 18504 1415 1 3 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.114 0.671 18504 1416 1 3 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.362 -0.879 18504 1417 1 3 . 1 1 100 100 GLN H H 100 7.625 7.625 7.858 -0.233 18504 1418 1 3 . 1 1 101 101 ALA N N 101 121.499 121.499 123.419 -1.920 18504 1419 1 3 . 1 1 101 101 ALA HA H 101 3.288 3.288 3.975 -0.687 18504 1420 1 3 . 1 1 101 101 ALA C C 101 178.865 178.865 179.808 -0.943 18504 1421 1 3 . 1 1 101 101 ALA CA C 101 54.964 54.964 55.077 -0.113 18504 1422 1 3 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.041 -0.180 18504 1423 1 3 . 1 1 101 101 ALA H H 101 7.355 7.355 7.497 -0.142 18504 1424 1 3 . 1 1 102 102 LEU N N 102 115.061 115.061 118.441 -3.380 18504 1425 1 3 . 1 1 102 102 LEU HA H 102 4.766 4.766 3.905 0.861 18504 1426 1 3 . 1 1 102 102 LEU C C 102 179.324 179.324 179.218 0.106 18504 1427 1 3 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.474 0.022 18504 1428 1 3 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.065 -0.336 18504 1429 1 3 . 1 1 102 102 LEU H H 102 7.941 7.941 8.296 -0.355 18504 1430 1 3 . 1 1 103 103 LEU N N 103 115.920 115.920 119.314 -3.394 18504 1431 1 3 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.048 0.789 18504 1432 1 3 . 1 1 103 103 LEU C C 103 178.500 178.500 178.800 -0.300 18504 1433 1 3 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.567 -2.678 18504 1434 1 3 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.916 1.850 18504 1435 1 3 . 1 1 103 103 LEU H H 103 8.266 8.266 7.339 0.927 18504 1436 1 3 . 1 1 105 105 LEU HA H 105 4.635 4.635 3.921 0.714 18504 1437 1 3 . 1 1 105 105 LEU C C 105 175.743 175.743 178.878 -3.135 18504 1438 1 3 . 1 1 105 105 LEU CA C 105 58.097 58.097 57.722 0.375 18504 1439 1 3 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.723 -1.945 18504 1440 1 3 . 1 1 106 106 HIS N N 106 122.167 122.167 119.790 2.377 18504 1441 1 3 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.095 0.171 18504 1442 1 3 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.921 -2.807 18504 1443 1 3 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.533 0.592 18504 1444 1 3 . 1 1 106 106 HIS H H 106 8.252 8.252 7.922 0.330 18504 1445 1 3 . 1 1 107 107 ASN C C 107 179.694 179.694 177.524 2.170 18504 1446 1 3 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.342 1.989 18504 1447 1 3 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.437 3.560 18504 1448 1 3 . 1 1 108 108 ASP N N 108 122.462 122.462 120.521 1.941 18504 1449 1 3 . 1 1 108 108 ASP C C 108 179.328 179.328 177.941 1.387 18504 1450 1 3 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.458 1.231 18504 1451 1 3 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.002 1.038 18504 1452 1 3 . 1 1 108 108 ASP H H 108 8.174 8.174 7.774 0.400 18504 1453 1 3 . 1 1 109 109 LEU N N 109 115.664 115.664 119.407 -3.743 18504 1454 1 3 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.348 0.504 18504 1455 1 3 . 1 1 109 109 LEU C C 109 178.510 178.510 178.093 0.417 18504 1456 1 3 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.581 -1.427 18504 1457 1 3 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.599 1.549 18504 1458 1 3 . 1 1 109 109 LEU H H 109 8.380 8.380 7.894 0.486 18504 1459 1 3 . 1 1 110 110 HIS N N 110 118.905 118.905 117.313 1.592 18504 1460 1 3 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.380 -0.470 18504 1461 1 3 . 1 1 110 110 HIS C C 110 176.152 176.152 176.411 -0.259 18504 1462 1 3 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.480 2.532 18504 1463 1 3 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.515 -1.403 18504 1464 1 3 . 1 1 110 110 HIS H H 110 8.518 8.518 8.718 -0.200 18504 1465 1 3 . 1 1 111 111 GLU N N 111 117.923 117.923 116.746 1.177 18504 1466 1 3 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.220 -0.489 18504 1467 1 3 . 1 1 111 111 GLU C C 111 176.596 176.596 176.501 0.095 18504 1468 1 3 . 1 1 111 111 GLU CA C 111 58.394 58.394 57.213 1.181 18504 1469 1 3 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.619 -0.575 18504 1470 1 3 . 1 1 111 111 GLU H H 111 8.018 8.018 8.073 -0.055 18504 1471 1 3 . 1 1 112 112 TYR N N 112 114.607 114.607 117.124 -2.517 18504 1472 1 3 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.603 -0.166 18504 1473 1 3 . 1 1 112 112 TYR C C 112 174.448 174.448 176.669 -2.221 18504 1474 1 3 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.768 -1.996 18504 1475 1 3 . 1 1 112 112 TYR CB C 112 39.987 39.987 41.270 -1.283 18504 1476 1 3 . 1 1 112 112 TYR H H 112 7.905 7.905 8.096 -0.191 18504 1477 1 3 . 1 1 113 113 VAL N N 113 118.003 118.003 121.189 -3.186 18504 1478 1 3 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.965 0.141 18504 1479 1 3 . 1 1 113 113 VAL C C 113 175.134 175.134 175.279 -0.145 18504 1480 1 3 . 1 1 113 113 VAL CA C 113 62.687 62.687 62.831 -0.144 18504 1481 1 3 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.005 3.223 18504 1482 1 3 . 1 1 113 113 VAL H H 113 6.976 6.976 7.670 -0.694 18504 1483 1 4 . 1 1 27 27 SER HA H 27 4.339 4.339 5.238 -0.899 18504 1484 1 4 . 1 1 27 27 SER C C 27 175.743 175.743 172.636 3.107 18504 1485 1 4 . 1 1 27 27 SER CA C 27 60.497 60.497 57.605 2.892 18504 1486 1 4 . 1 1 27 27 SER CB C 27 63.659 63.659 65.959 -2.300 18504 1487 1 4 . 1 1 28 28 LYS N N 28 118.099 118.099 117.076 1.023 18504 1488 1 4 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.624 0.594 18504 1489 1 4 . 1 1 28 28 LYS C C 28 175.699 175.699 174.552 1.147 18504 1490 1 4 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.937 -0.392 18504 1491 1 4 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.167 1.746 18504 1492 1 4 . 1 1 28 28 LYS H H 28 7.785 7.785 8.337 -0.552 18504 1493 1 4 . 1 1 29 29 GLN N N 29 122.481 122.481 117.874 4.607 18504 1494 1 4 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.466 0.272 18504 1495 1 4 . 1 1 29 29 GLN C C 29 174.277 174.277 173.264 1.013 18504 1496 1 4 . 1 1 29 29 GLN CA C 29 55.525 55.525 55.222 0.303 18504 1497 1 4 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.983 -1.113 18504 1498 1 4 . 1 1 29 29 GLN H H 29 9.283 9.283 8.188 1.095 18504 1499 1 4 . 1 1 30 30 GLU N N 30 122.881 122.881 121.437 1.444 18504 1500 1 4 . 1 1 30 30 GLU HA H 30 4.276 4.276 5.127 -0.851 18504 1501 1 4 . 1 1 30 30 GLU C C 30 173.313 173.313 175.245 -1.932 18504 1502 1 4 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.659 1.295 18504 1503 1 4 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.716 -0.662 18504 1504 1 4 . 1 1 30 30 GLU H H 30 9.188 9.188 8.397 0.791 18504 1505 1 4 . 1 1 31 31 LEU N N 31 130.328 130.328 123.941 6.387 18504 1506 1 4 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.700 -0.407 18504 1507 1 4 . 1 1 31 31 LEU C C 31 171.909 171.909 176.154 -4.245 18504 1508 1 4 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.838 -0.557 18504 1509 1 4 . 1 1 31 31 LEU CB C 31 42.450 42.450 45.115 -2.665 18504 1510 1 4 . 1 1 31 31 LEU H H 31 9.016 9.016 8.352 0.664 18504 1511 1 4 . 1 1 32 32 ILE N N 32 120.632 120.632 119.910 0.722 18504 1512 1 4 . 1 1 32 32 ILE HA H 32 5.528 5.528 5.055 0.473 18504 1513 1 4 . 1 1 32 32 ILE C C 32 175.735 175.735 174.964 0.771 18504 1514 1 4 . 1 1 32 32 ILE CA C 32 59.224 59.224 58.711 0.513 18504 1515 1 4 . 1 1 32 32 ILE CB C 32 36.625 36.625 38.093 -1.468 18504 1516 1 4 . 1 1 32 32 ILE H H 32 8.738 8.738 8.277 0.461 18504 1517 1 4 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.758 -0.761 18504 1518 1 4 . 1 1 33 33 LEU C C 33 180.030 180.030 175.098 4.932 18504 1519 1 4 . 1 1 33 33 LEU CA C 33 58.333 58.333 54.070 4.263 18504 1520 1 4 . 1 1 33 33 LEU CB C 33 41.433 41.433 44.880 -3.447 18504 1521 1 4 . 1 1 34 34 VAL N N 34 124.025 124.025 118.852 5.173 18504 1522 1 4 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.246 -0.629 18504 1523 1 4 . 1 1 34 34 VAL C C 34 178.222 178.222 174.962 3.260 18504 1524 1 4 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.511 4.611 18504 1525 1 4 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.658 4.284 18504 1526 1 4 . 1 1 34 34 VAL H H 34 7.751 7.751 8.593 -0.842 18504 1527 1 4 . 1 1 35 35 LEU N N 35 120.009 120.009 126.726 -6.717 18504 1528 1 4 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.157 0.119 18504 1529 1 4 . 1 1 35 35 LEU C C 35 175.855 175.855 177.862 -2.007 18504 1530 1 4 . 1 1 35 35 LEU CA C 35 57.375 57.375 58.444 -1.069 18504 1531 1 4 . 1 1 35 35 LEU CB C 35 43.089 43.089 42.528 0.561 18504 1532 1 4 . 1 1 35 35 LEU H H 35 7.532 7.532 8.861 -1.329 18504 1533 1 4 . 1 1 36 36 LYS N N 36 115.805 115.805 114.655 1.150 18504 1534 1 4 . 1 1 36 36 LYS C C 36 178.903 178.903 176.513 2.390 18504 1535 1 4 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.614 1.733 18504 1536 1 4 . 1 1 36 36 LYS CB C 36 32.903 32.903 34.839 -1.936 18504 1537 1 4 . 1 1 36 36 LYS H H 36 7.501 7.501 7.805 -0.304 18504 1538 1 4 . 1 1 37 37 GLY N N 37 110.626 110.626 107.711 2.915 18504 1539 1 4 . 1 1 37 37 GLY C C 37 174.865 174.865 172.394 2.471 18504 1540 1 4 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.738 1.728 18504 1541 1 4 . 1 1 37 37 GLY H H 37 8.811 8.811 7.938 0.873 18504 1542 1 4 . 1 1 38 38 GLU N N 38 116.098 116.098 119.716 -3.618 18504 1543 1 4 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.445 -0.143 18504 1544 1 4 . 1 1 38 38 GLU C C 38 176.681 176.681 176.273 0.408 18504 1545 1 4 . 1 1 38 38 GLU CA C 38 57.184 57.184 55.366 1.818 18504 1546 1 4 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.410 -1.581 18504 1547 1 4 . 1 1 38 38 GLU H H 38 8.763 8.763 8.234 0.529 18504 1548 1 4 . 1 1 39 39 LEU N N 39 119.439 119.439 123.804 -4.365 18504 1549 1 4 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.097 0.169 18504 1550 1 4 . 1 1 39 39 LEU C C 39 176.016 176.016 175.081 0.935 18504 1551 1 4 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.835 -1.110 18504 1552 1 4 . 1 1 39 39 LEU CB C 39 43.602 43.602 41.878 1.724 18504 1553 1 4 . 1 1 39 39 LEU H H 39 7.167 7.167 8.546 -1.379 18504 1554 1 4 . 1 1 40 40 ASP N N 40 120.105 120.105 123.155 -3.050 18504 1555 1 4 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.705 0.023 18504 1556 1 4 . 1 1 40 40 ASP C C 40 178.198 178.198 176.253 1.945 18504 1557 1 4 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.029 -0.839 18504 1558 1 4 . 1 1 40 40 ASP CB C 40 40.557 40.557 42.119 -1.562 18504 1559 1 4 . 1 1 40 40 ASP H H 40 8.596 8.596 8.098 0.498 18504 1560 1 4 . 1 1 41 41 LEU N N 41 125.023 125.023 122.080 2.943 18504 1561 1 4 . 1 1 41 41 LEU HA H 41 3.753 3.753 3.915 -0.162 18504 1562 1 4 . 1 1 41 41 LEU C C 41 175.113 175.113 177.263 -2.150 18504 1563 1 4 . 1 1 41 41 LEU CA C 41 56.667 56.667 57.024 -0.357 18504 1564 1 4 . 1 1 41 41 LEU CB C 41 39.849 39.849 41.094 -1.245 18504 1565 1 4 . 1 1 41 41 LEU H H 41 9.029 9.029 8.669 0.360 18504 1566 1 4 . 1 1 42 42 HIS N N 42 113.184 113.184 118.246 -5.062 18504 1567 1 4 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.258 0.266 18504 1568 1 4 . 1 1 42 42 HIS C C 42 175.855 175.855 174.219 1.636 18504 1569 1 4 . 1 1 42 42 HIS CA C 42 55.916 55.916 57.431 -1.515 18504 1570 1 4 . 1 1 42 42 HIS CB C 42 30.137 30.137 28.690 1.447 18504 1571 1 4 . 1 1 42 42 HIS H H 42 8.065 8.065 8.442 -0.377 18504 1572 1 4 . 1 1 43 43 SER N N 43 116.013 116.013 113.101 2.912 18504 1573 1 4 . 1 1 43 43 SER HA H 43 4.524 4.524 4.498 0.026 18504 1574 1 4 . 1 1 43 43 SER C C 43 174.426 174.426 175.058 -0.632 18504 1575 1 4 . 1 1 43 43 SER CA C 43 58.206 58.206 59.440 -1.234 18504 1576 1 4 . 1 1 43 43 SER CB C 43 65.517 65.517 64.493 1.024 18504 1577 1 4 . 1 1 43 43 SER H H 43 7.511 7.511 8.432 -0.921 18504 1578 1 4 . 1 1 44 44 LYS N N 44 123.332 123.332 122.428 0.904 18504 1579 1 4 . 1 1 44 44 LYS C C 44 177.791 177.791 178.151 -0.360 18504 1580 1 4 . 1 1 44 44 LYS CA C 44 59.456 59.456 59.223 0.233 18504 1581 1 4 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.514 -2.342 18504 1582 1 4 . 1 1 44 44 LYS H H 44 8.846 8.846 8.376 0.470 18504 1583 1 4 . 1 1 45 45 ASN N N 45 118.501 118.501 118.511 -0.010 18504 1584 1 4 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.393 0.077 18504 1585 1 4 . 1 1 45 45 ASN C C 45 177.817 177.817 177.573 0.244 18504 1586 1 4 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.842 0.086 18504 1587 1 4 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.742 0.662 18504 1588 1 4 . 1 1 45 45 ASN H H 45 8.545 8.545 8.435 0.110 18504 1589 1 4 . 1 1 46 46 MET N N 46 116.171 116.171 116.345 -0.174 18504 1590 1 4 . 1 1 46 46 MET HA H 46 4.471 4.471 4.259 0.212 18504 1591 1 4 . 1 1 46 46 MET C C 46 178.964 178.964 177.953 1.011 18504 1592 1 4 . 1 1 46 46 MET CA C 46 55.467 55.467 58.855 -3.389 18504 1593 1 4 . 1 1 46 46 MET CB C 46 29.707 29.707 32.289 -2.582 18504 1594 1 4 . 1 1 46 46 MET H H 46 7.379 7.379 7.982 -0.603 18504 1595 1 4 . 1 1 47 47 LYS N N 47 121.054 121.054 118.766 2.288 18504 1596 1 4 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.953 -0.069 18504 1597 1 4 . 1 1 47 47 LYS C C 47 179.310 179.310 178.837 0.473 18504 1598 1 4 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.173 1.166 18504 1599 1 4 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.128 -0.378 18504 1600 1 4 . 1 1 47 47 LYS H H 47 8.450 8.450 7.697 0.753 18504 1601 1 4 . 1 1 48 48 ASN N N 48 117.137 117.137 118.115 -0.978 18504 1602 1 4 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.472 -0.591 18504 1603 1 4 . 1 1 48 48 ASN C C 48 177.733 177.733 177.493 0.240 18504 1604 1 4 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.278 0.262 18504 1605 1 4 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.554 -0.221 18504 1606 1 4 . 1 1 48 48 ASN H H 48 7.896 7.896 7.969 -0.073 18504 1607 1 4 . 1 1 49 49 VAL N N 49 121.225 121.225 120.384 0.841 18504 1608 1 4 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.461 0.218 18504 1609 1 4 . 1 1 49 49 VAL C C 49 176.675 176.675 177.378 -0.703 18504 1610 1 4 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.851 -0.417 18504 1611 1 4 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.151 0.918 18504 1612 1 4 . 1 1 49 49 VAL H H 49 7.869 7.869 7.455 0.414 18504 1613 1 4 . 1 1 50 50 ILE N N 50 120.523 120.523 119.415 1.108 18504 1614 1 4 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.515 0.735 18504 1615 1 4 . 1 1 50 50 ILE C C 50 179.831 179.831 177.523 2.308 18504 1616 1 4 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.950 -7.010 18504 1617 1 4 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.874 2.238 18504 1618 1 4 . 1 1 50 50 ILE H H 50 8.093 8.093 7.572 0.521 18504 1619 1 4 . 1 1 51 51 ASN N N 51 117.280 117.280 117.378 -0.098 18504 1620 1 4 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.490 -0.471 18504 1621 1 4 . 1 1 51 51 ASN C C 51 178.496 178.496 177.584 0.912 18504 1622 1 4 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.275 0.337 18504 1623 1 4 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.032 0.323 18504 1624 1 4 . 1 1 51 51 ASN H H 51 7.953 7.953 7.846 0.107 18504 1625 1 4 . 1 1 52 52 ASN N N 52 118.893 118.893 119.388 -0.495 18504 1626 1 4 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.497 -0.082 18504 1627 1 4 . 1 1 52 52 ASN C C 52 176.434 176.434 176.730 -0.296 18504 1628 1 4 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.382 0.388 18504 1629 1 4 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.847 -0.494 18504 1630 1 4 . 1 1 52 52 ASN H H 52 8.347 8.347 7.938 0.409 18504 1631 1 4 . 1 1 53 53 ALA N N 53 122.291 122.291 122.248 0.043 18504 1632 1 4 . 1 1 53 53 ALA HA H 53 4.514 4.514 3.969 0.545 18504 1633 1 4 . 1 1 53 53 ALA C C 53 180.689 180.689 179.165 1.524 18504 1634 1 4 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.421 -0.520 18504 1635 1 4 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.209 -0.308 18504 1636 1 4 . 1 1 53 53 ALA H H 53 7.706 7.706 8.800 -1.094 18504 1637 1 4 . 1 1 54 54 LYS N N 54 119.091 119.091 117.692 1.399 18504 1638 1 4 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.108 -0.271 18504 1639 1 4 . 1 1 54 54 LYS C C 54 178.066 178.066 178.383 -0.317 18504 1640 1 4 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.115 1.190 18504 1641 1 4 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.372 -0.284 18504 1642 1 4 . 1 1 54 54 LYS H H 54 8.375 8.375 7.664 0.711 18504 1643 1 4 . 1 1 55 55 LYS N N 55 119.370 119.370 119.856 -0.486 18504 1644 1 4 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.922 -0.049 18504 1645 1 4 . 1 1 55 55 LYS C C 55 179.819 179.819 179.427 0.392 18504 1646 1 4 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.629 0.657 18504 1647 1 4 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.275 -0.285 18504 1648 1 4 . 1 1 55 55 LYS H H 55 8.259 8.259 7.566 0.693 18504 1649 1 4 . 1 1 56 56 ASN N N 56 119.303 119.303 117.876 1.427 18504 1650 1 4 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.261 0.148 18504 1651 1 4 . 1 1 56 56 ASN C C 56 178.899 178.899 176.943 1.956 18504 1652 1 4 . 1 1 56 56 ASN CA C 56 55.740 55.740 56.085 -0.345 18504 1653 1 4 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.647 -1.544 18504 1654 1 4 . 1 1 56 56 ASN H H 56 8.235 8.235 8.331 -0.096 18504 1655 1 4 . 1 1 57 57 LEU N N 57 123.252 123.252 122.050 1.202 18504 1656 1 4 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.241 0.441 18504 1657 1 4 . 1 1 57 57 LEU C C 57 178.541 178.541 179.209 -0.668 18504 1658 1 4 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.527 -0.328 18504 1659 1 4 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.984 0.642 18504 1660 1 4 . 1 1 57 57 LEU H H 57 8.210 8.210 7.599 0.611 18504 1661 1 4 . 1 1 58 58 GLU N N 58 118.795 118.795 117.615 1.180 18504 1662 1 4 . 1 1 58 58 GLU HA H 58 4.003 4.003 4.034 -0.031 18504 1663 1 4 . 1 1 58 58 GLU C C 58 177.333 177.333 178.996 -1.663 18504 1664 1 4 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.339 1.806 18504 1665 1 4 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.128 1.184 18504 1666 1 4 . 1 1 58 58 GLU H H 58 8.846 8.846 7.957 0.889 18504 1667 1 4 . 1 1 59 59 LYS N N 59 118.325 118.325 119.750 -1.425 18504 1668 1 4 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.974 0.501 18504 1669 1 4 . 1 1 59 59 LYS C C 59 178.428 178.428 179.311 -0.883 18504 1670 1 4 . 1 1 59 59 LYS CA C 59 60.145 60.145 58.943 1.202 18504 1671 1 4 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.896 0.792 18504 1672 1 4 . 1 1 59 59 LYS H H 59 8.373 8.373 7.474 0.899 18504 1673 1 4 . 1 1 60 60 TYR N N 60 119.345 119.345 118.115 1.230 18504 1674 1 4 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.727 -0.400 18504 1675 1 4 . 1 1 60 60 TYR C C 60 178.899 178.899 178.484 0.415 18504 1676 1 4 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.144 3.250 18504 1677 1 4 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.056 0.238 18504 1678 1 4 . 1 1 60 60 TYR H H 60 7.532 7.532 7.225 0.307 18504 1679 1 4 . 1 1 61 61 PHE N N 61 118.931 118.931 119.810 -0.879 18504 1680 1 4 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.376 -0.048 18504 1681 1 4 . 1 1 61 61 PHE C C 61 178.450 178.450 177.682 0.768 18504 1682 1 4 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.214 1.181 18504 1683 1 4 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.349 -1.426 18504 1684 1 4 . 1 1 61 61 PHE H H 61 8.607 8.607 8.053 0.554 18504 1685 1 4 . 1 1 62 62 LYS N N 62 118.337 118.337 119.031 -0.694 18504 1686 1 4 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.306 -0.004 18504 1687 1 4 . 1 1 62 62 LYS C C 62 178.333 178.333 177.551 0.782 18504 1688 1 4 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.709 0.602 18504 1689 1 4 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.732 0.117 18504 1690 1 4 . 1 1 62 62 LYS H H 62 8.615 8.615 8.595 0.020 18504 1691 1 4 . 1 1 63 63 GLU N N 63 116.360 116.360 117.275 -0.915 18504 1692 1 4 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.345 -0.419 18504 1693 1 4 . 1 1 63 63 GLU C C 63 177.317 177.317 178.165 -0.848 18504 1694 1 4 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.968 0.348 18504 1695 1 4 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.755 -1.399 18504 1696 1 4 . 1 1 63 63 GLU H H 63 7.547 7.547 7.945 -0.398 18504 1697 1 4 . 1 1 64 64 HIS N N 64 113.580 113.580 116.668 -3.088 18504 1698 1 4 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.745 -0.324 18504 1699 1 4 . 1 1 64 64 HIS C C 64 173.911 173.911 174.416 -0.505 18504 1700 1 4 . 1 1 64 64 HIS CA C 64 58.082 58.082 54.893 3.189 18504 1701 1 4 . 1 1 64 64 HIS CB C 64 31.835 31.835 31.223 0.612 18504 1702 1 4 . 1 1 64 64 HIS H H 64 7.013 7.013 8.292 -1.279 18504 1703 1 4 . 1 1 65 65 PHE N N 65 119.434 119.434 118.625 0.809 18504 1704 1 4 . 1 1 65 65 PHE HA H 65 4.936 4.936 3.464 1.472 18504 1705 1 4 . 1 1 65 65 PHE C C 65 175.232 175.232 174.292 0.940 18504 1706 1 4 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.129 -1.906 18504 1707 1 4 . 1 1 65 65 PHE CB C 65 40.362 40.362 36.934 3.428 18504 1708 1 4 . 1 1 65 65 PHE H H 65 8.340 8.340 8.169 0.171 18504 1709 1 4 . 1 1 66 66 LYS N N 66 123.217 123.217 117.462 5.755 18504 1710 1 4 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.343 -0.055 18504 1711 1 4 . 1 1 66 66 LYS C C 66 177.685 177.685 174.967 2.718 18504 1712 1 4 . 1 1 66 66 LYS CA C 66 58.798 58.798 55.975 2.823 18504 1713 1 4 . 1 1 66 66 LYS CB C 66 32.473 32.473 34.926 -2.453 18504 1714 1 4 . 1 1 66 66 LYS H H 66 8.590 8.590 7.735 0.855 18504 1715 1 4 . 1 1 67 67 GLU N N 67 117.085 117.085 119.546 -2.461 18504 1716 1 4 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.253 0.108 18504 1717 1 4 . 1 1 67 67 GLU C C 67 175.770 175.770 174.987 0.783 18504 1718 1 4 . 1 1 67 67 GLU CA C 67 56.364 56.364 57.283 -0.919 18504 1719 1 4 . 1 1 67 67 GLU CB C 67 29.103 29.103 28.819 0.284 18504 1720 1 4 . 1 1 67 67 GLU H H 67 8.969 8.969 8.417 0.552 18504 1721 1 4 . 1 1 68 68 PHE N N 68 121.127 121.127 123.321 -2.194 18504 1722 1 4 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.718 -0.446 18504 1723 1 4 . 1 1 68 68 PHE C C 68 173.621 173.621 173.999 -0.378 18504 1724 1 4 . 1 1 68 68 PHE CA C 68 59.096 59.096 56.801 2.295 18504 1725 1 4 . 1 1 68 68 PHE CB C 68 40.772 40.772 39.745 1.027 18504 1726 1 4 . 1 1 68 68 PHE H H 68 7.752 7.752 8.401 -0.649 18504 1727 1 4 . 1 1 69 69 ASP N N 69 125.720 125.720 119.809 5.911 18504 1728 1 4 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.757 -0.154 18504 1729 1 4 . 1 1 69 69 ASP C C 69 173.387 173.387 174.515 -1.128 18504 1730 1 4 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.142 0.739 18504 1731 1 4 . 1 1 69 69 ASP CB C 69 41.806 41.806 43.512 -1.706 18504 1732 1 4 . 1 1 69 69 ASP H H 69 7.767 7.767 7.816 -0.049 18504 1733 1 4 . 1 1 70 70 LYS N N 70 115.004 115.004 123.523 -8.519 18504 1734 1 4 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.691 -0.242 18504 1735 1 4 . 1 1 70 70 LYS C C 70 175.841 175.841 174.856 0.985 18504 1736 1 4 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.753 0.733 18504 1737 1 4 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.284 -0.503 18504 1738 1 4 . 1 1 70 70 LYS H H 70 7.305 7.305 7.908 -0.603 18504 1739 1 4 . 1 1 71 71 ILE N N 71 122.809 122.809 121.640 1.169 18504 1740 1 4 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.344 0.365 18504 1741 1 4 . 1 1 71 71 ILE C C 71 175.120 175.120 174.446 0.674 18504 1742 1 4 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.705 -1.453 18504 1743 1 4 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.179 -1.877 18504 1744 1 4 . 1 1 71 71 ILE H H 71 9.522 9.522 8.355 1.167 18504 1745 1 4 . 1 1 72 72 SER N N 72 121.741 121.741 120.587 1.154 18504 1746 1 4 . 1 1 72 72 SER HA H 72 4.920 4.920 5.042 -0.122 18504 1747 1 4 . 1 1 72 72 SER C C 72 172.157 172.157 172.484 -0.327 18504 1748 1 4 . 1 1 72 72 SER CA C 72 57.730 57.730 56.444 1.286 18504 1749 1 4 . 1 1 72 72 SER CB C 72 65.634 65.634 65.645 -0.011 18504 1750 1 4 . 1 1 72 72 SER H H 72 8.760 8.760 8.440 0.320 18504 1751 1 4 . 1 1 73 73 TYR N N 73 118.245 118.245 116.739 1.506 18504 1752 1 4 . 1 1 73 73 TYR HA H 73 5.721 5.721 5.060 0.661 18504 1753 1 4 . 1 1 73 73 TYR C C 73 173.231 173.231 173.416 -0.185 18504 1754 1 4 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.169 -0.939 18504 1755 1 4 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.811 1.572 18504 1756 1 4 . 1 1 73 73 TYR H H 73 8.275 8.275 8.428 -0.153 18504 1757 1 4 . 1 1 74 74 ASP N N 74 120.379 120.379 119.694 0.685 18504 1758 1 4 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.643 0.412 18504 1759 1 4 . 1 1 74 74 ASP C C 74 174.827 174.827 173.813 1.014 18504 1760 1 4 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.002 0.599 18504 1761 1 4 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.623 1.018 18504 1762 1 4 . 1 1 74 74 ASP H H 74 9.332 9.332 8.236 1.096 18504 1763 1 4 . 1 1 75 75 ILE HA H 75 4.584 4.584 5.066 -0.482 18504 1764 1 4 . 1 1 75 75 ILE C C 75 177.411 177.411 174.997 2.414 18504 1765 1 4 . 1 1 75 75 ILE CA C 75 59.209 59.209 58.950 0.259 18504 1766 1 4 . 1 1 75 75 ILE CB C 75 40.768 40.768 41.709 -0.941 18504 1767 1 4 . 1 1 75 75 ILE H H 75 7.501 7.501 8.242 -0.741 18504 1768 1 4 . 1 1 76 76 SER N N 76 117.836 117.836 113.860 3.976 18504 1769 1 4 . 1 1 76 76 SER HA H 76 5.450 5.450 4.745 0.705 18504 1770 1 4 . 1 1 76 76 SER C C 76 173.767 173.767 172.324 1.443 18504 1771 1 4 . 1 1 76 76 SER CA C 76 57.758 57.758 58.417 -0.659 18504 1772 1 4 . 1 1 76 76 SER CB C 76 64.462 64.462 64.758 -0.296 18504 1773 1 4 . 1 1 76 76 SER H H 76 9.050 9.050 8.454 0.596 18504 1774 1 4 . 1 1 77 77 THR N N 77 117.435 117.435 113.245 4.190 18504 1775 1 4 . 1 1 77 77 THR HA H 77 4.959 4.959 4.196 0.763 18504 1776 1 4 . 1 1 77 77 THR C C 77 172.636 172.636 173.940 -1.304 18504 1777 1 4 . 1 1 77 77 THR CA C 77 58.870 58.870 61.802 -2.932 18504 1778 1 4 . 1 1 77 77 THR CB C 77 69.935 69.935 68.347 1.588 18504 1779 1 4 . 1 1 77 77 THR H H 77 8.601 8.601 8.140 0.461 18504 1780 1 4 . 1 1 78 78 PRO C C 78 179.328 179.328 177.497 1.831 18504 1781 1 4 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.369 -0.886 18504 1782 1 4 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.810 0.352 18504 1783 1 4 . 1 1 79 79 ILE N N 79 120.707 120.707 118.604 2.103 18504 1784 1 4 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.136 0.485 18504 1785 1 4 . 1 1 79 79 ILE C C 79 177.212 177.212 174.738 2.474 18504 1786 1 4 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.588 5.333 18504 1787 1 4 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.594 -0.126 18504 1788 1 4 . 1 1 79 79 ILE H H 79 8.227 8.227 7.657 0.570 18504 1789 1 4 . 1 1 80 80 ASN N N 80 118.168 118.168 116.006 2.162 18504 1790 1 4 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.373 0.057 18504 1791 1 4 . 1 1 80 80 ASN C C 80 178.172 178.172 173.767 4.405 18504 1792 1 4 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.127 2.636 18504 1793 1 4 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.074 1.013 18504 1794 1 4 . 1 1 80 80 ASN H H 80 8.466 8.466 7.639 0.827 18504 1795 1 4 . 1 1 81 81 PHE N N 81 129.059 129.059 119.156 9.903 18504 1796 1 4 . 1 1 81 81 PHE C C 81 174.016 174.016 174.799 -0.783 18504 1797 1 4 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.816 -2.997 18504 1798 1 4 . 1 1 81 81 PHE CB C 81 39.773 39.773 40.690 -0.917 18504 1799 1 4 . 1 1 81 81 PHE H H 81 9.152 9.152 7.855 1.297 18504 1800 1 4 . 1 1 82 82 LEU N N 82 124.640 124.640 126.596 -1.956 18504 1801 1 4 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.647 0.346 18504 1802 1 4 . 1 1 82 82 LEU C C 82 173.695 173.695 175.717 -2.022 18504 1803 1 4 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.345 0.405 18504 1804 1 4 . 1 1 82 82 LEU CB C 82 44.936 44.936 40.531 4.405 18504 1805 1 4 . 1 1 82 82 LEU H H 82 9.147 9.147 8.379 0.768 18504 1806 1 4 . 1 1 83 83 CYS N N 83 126.066 126.066 121.955 4.111 18504 1807 1 4 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.912 0.326 18504 1808 1 4 . 1 1 83 83 CYS C C 83 173.733 173.733 174.781 -1.048 18504 1809 1 4 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.139 -0.778 18504 1810 1 4 . 1 1 83 83 CYS CB C 83 28.374 28.374 27.893 0.481 18504 1811 1 4 . 1 1 83 83 CYS H H 83 9.065 9.065 8.481 0.584 18504 1812 1 4 . 1 1 84 84 ILE N N 84 126.110 126.110 125.781 0.329 18504 1813 1 4 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.364 -0.005 18504 1814 1 4 . 1 1 84 84 ILE C C 84 174.745 174.745 174.223 0.522 18504 1815 1 4 . 1 1 84 84 ILE CA C 84 60.519 60.519 61.704 -1.185 18504 1816 1 4 . 1 1 84 84 ILE CB C 84 40.358 40.358 38.932 1.425 18504 1817 1 4 . 1 1 84 84 ILE H H 84 9.426 9.426 8.452 0.974 18504 1818 1 4 . 1 1 85 85 PHE N N 85 126.315 126.315 127.869 -1.554 18504 1819 1 4 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.777 0.242 18504 1820 1 4 . 1 1 85 85 PHE C C 85 175.358 175.358 174.418 0.940 18504 1821 1 4 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.761 0.970 18504 1822 1 4 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.967 -2.225 18504 1823 1 4 . 1 1 85 85 PHE H H 85 8.337 8.337 8.262 0.075 18504 1824 1 4 . 1 1 86 86 ILE N N 86 126.561 126.561 126.667 -0.106 18504 1825 1 4 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.803 0.100 18504 1826 1 4 . 1 1 86 86 ILE C C 86 173.967 173.967 173.418 0.549 18504 1827 1 4 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.020 -1.634 18504 1828 1 4 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.520 -1.709 18504 1829 1 4 . 1 1 86 86 ILE H H 86 9.161 9.161 8.658 0.503 18504 1830 1 4 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.811 0.211 18504 1831 1 4 . 1 1 87 87 PRO C C 87 177.938 177.938 175.887 2.051 18504 1832 1 4 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.719 -0.211 18504 1833 1 4 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.511 1.023 18504 1834 1 4 . 1 1 88 88 THR N N 88 113.282 113.282 116.883 -3.601 18504 1835 1 4 . 1 1 88 88 THR HA H 88 4.486 4.486 4.554 -0.068 18504 1836 1 4 . 1 1 88 88 THR C C 88 176.082 176.082 172.401 3.681 18504 1837 1 4 . 1 1 88 88 THR CA C 88 60.306 60.306 59.665 0.641 18504 1838 1 4 . 1 1 88 88 THR CB C 88 66.727 66.727 71.469 -4.742 18504 1839 1 4 . 1 1 88 88 THR H H 88 8.003 8.003 7.993 0.010 18504 1840 1 4 . 1 1 89 89 LEU N N 89 122.317 122.317 123.368 -1.051 18504 1841 1 4 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.716 -0.707 18504 1842 1 4 . 1 1 89 89 LEU C C 89 175.776 175.776 175.437 0.339 18504 1843 1 4 . 1 1 89 89 LEU CA C 89 53.969 53.969 53.643 0.326 18504 1844 1 4 . 1 1 89 89 LEU CB C 89 41.996 41.996 44.032 -2.036 18504 1845 1 4 . 1 1 89 89 LEU H H 89 7.822 7.822 8.512 -0.691 18504 1846 1 4 . 1 1 90 90 PHE N N 90 114.801 114.801 124.418 -9.617 18504 1847 1 4 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.383 1.177 18504 1848 1 4 . 1 1 90 90 PHE C C 90 175.869 175.869 174.690 1.179 18504 1849 1 4 . 1 1 90 90 PHE CA C 90 55.096 55.096 57.903 -2.807 18504 1850 1 4 . 1 1 90 90 PHE CB C 90 40.107 40.107 37.548 2.559 18504 1851 1 4 . 1 1 90 90 PHE H H 90 7.110 7.110 9.036 -1.926 18504 1852 1 4 . 1 1 91 91 ASP N N 91 127.244 127.244 125.607 1.637 18504 1853 1 4 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.485 0.072 18504 1854 1 4 . 1 1 91 91 ASP C C 91 175.684 175.684 177.167 -1.483 18504 1855 1 4 . 1 1 91 91 ASP CA C 91 52.969 52.969 55.239 -2.270 18504 1856 1 4 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.505 0.711 18504 1857 1 4 . 1 1 91 91 ASP H H 91 9.852 9.852 8.410 1.442 18504 1858 1 4 . 1 1 92 92 MET N N 92 113.730 113.730 120.437 -6.707 18504 1859 1 4 . 1 1 92 92 MET HA H 92 4.278 4.278 4.188 0.090 18504 1860 1 4 . 1 1 92 92 MET C C 92 177.571 177.571 176.894 0.677 18504 1861 1 4 . 1 1 92 92 MET CA C 92 58.815 58.815 58.135 0.680 18504 1862 1 4 . 1 1 92 92 MET CB C 92 32.010 32.010 33.120 -1.109 18504 1863 1 4 . 1 1 92 92 MET H H 92 8.574 8.574 7.927 0.647 18504 1864 1 4 . 1 1 93 93 ASN N N 93 115.175 115.175 115.397 -0.222 18504 1865 1 4 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.973 -0.224 18504 1866 1 4 . 1 1 93 93 ASN C C 93 176.300 176.300 174.374 1.926 18504 1867 1 4 . 1 1 93 93 ASN CA C 93 55.193 55.193 52.380 2.813 18504 1868 1 4 . 1 1 93 93 ASN CB C 93 39.426 39.426 37.901 1.525 18504 1869 1 4 . 1 1 93 93 ASN H H 93 8.576 8.576 8.333 0.243 18504 1870 1 4 . 1 1 94 94 ASN N N 94 119.005 119.005 118.637 0.368 18504 1871 1 4 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.812 0.379 18504 1872 1 4 . 1 1 94 94 ASN C C 94 177.230 177.230 175.447 1.783 18504 1873 1 4 . 1 1 94 94 ASN CA C 94 52.631 52.631 53.367 -0.736 18504 1874 1 4 . 1 1 94 94 ASN CB C 94 38.093 38.093 38.737 -0.644 18504 1875 1 4 . 1 1 94 94 ASN H H 94 8.049 8.049 7.870 0.179 18504 1876 1 4 . 1 1 95 95 MET N N 95 117.771 117.771 117.916 -0.145 18504 1877 1 4 . 1 1 95 95 MET HA H 95 4.048 4.048 4.496 -0.448 18504 1878 1 4 . 1 1 95 95 MET C C 95 178.005 178.005 175.388 2.617 18504 1879 1 4 . 1 1 95 95 MET CA C 95 58.275 58.275 55.908 2.367 18504 1880 1 4 . 1 1 95 95 MET CB C 95 32.327 32.327 34.240 -1.913 18504 1881 1 4 . 1 1 95 95 MET H H 95 7.489 7.489 7.742 -0.253 18504 1882 1 4 . 1 1 96 96 ASP N N 96 115.629 115.629 118.076 -2.447 18504 1883 1 4 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.747 -0.144 18504 1884 1 4 . 1 1 96 96 ASP C C 96 175.593 175.593 175.356 0.237 18504 1885 1 4 . 1 1 96 96 ASP CA C 96 54.940 54.940 55.038 -0.098 18504 1886 1 4 . 1 1 96 96 ASP CB C 96 39.445 39.445 42.423 -2.978 18504 1887 1 4 . 1 1 96 96 ASP H H 96 7.777 7.777 7.897 -0.120 18504 1888 1 4 . 1 1 97 97 LEU N N 97 116.343 116.343 124.777 -8.434 18504 1889 1 4 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.497 0.120 18504 1890 1 4 . 1 1 97 97 LEU C C 97 174.835 174.835 177.403 -2.568 18504 1891 1 4 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.677 -1.244 18504 1892 1 4 . 1 1 97 97 LEU CB C 97 39.082 39.082 42.712 -3.630 18504 1893 1 4 . 1 1 97 97 LEU H H 97 8.027 8.027 7.839 0.188 18504 1894 1 4 . 1 1 98 98 LEU N N 98 118.769 118.769 121.747 -2.978 18504 1895 1 4 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.014 -0.650 18504 1896 1 4 . 1 1 98 98 LEU C C 98 177.586 177.586 178.021 -0.435 18504 1897 1 4 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.878 0.341 18504 1898 1 4 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.846 -2.746 18504 1899 1 4 . 1 1 98 98 LEU H H 98 7.798 7.798 8.441 -0.643 18504 1900 1 4 . 1 1 99 99 LYS N N 99 117.567 117.567 117.902 -0.335 18504 1901 1 4 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.836 -0.420 18504 1902 1 4 . 1 1 99 99 LYS C C 99 177.639 177.639 178.595 -0.956 18504 1903 1 4 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.490 1.343 18504 1904 1 4 . 1 1 99 99 LYS CB C 99 32.044 32.044 32.082 -0.038 18504 1905 1 4 . 1 1 99 99 LYS H H 99 7.603 7.603 8.088 -0.485 18504 1906 1 4 . 1 1 100 100 GLN N N 100 114.564 114.564 118.422 -3.858 18504 1907 1 4 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.111 -0.299 18504 1908 1 4 . 1 1 100 100 GLN C C 100 178.165 178.165 177.994 0.171 18504 1909 1 4 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.714 0.070 18504 1910 1 4 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.957 -1.474 18504 1911 1 4 . 1 1 100 100 GLN H H 100 7.625 7.625 7.732 -0.107 18504 1912 1 4 . 1 1 101 101 ALA N N 101 121.499 121.499 123.097 -1.598 18504 1913 1 4 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.067 -0.779 18504 1914 1 4 . 1 1 101 101 ALA C C 101 178.865 178.865 179.666 -0.801 18504 1915 1 4 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.930 0.034 18504 1916 1 4 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.457 -0.596 18504 1917 1 4 . 1 1 101 101 ALA H H 101 7.355 7.355 7.721 -0.366 18504 1918 1 4 . 1 1 102 102 LEU N N 102 115.061 115.061 118.675 -3.614 18504 1919 1 4 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.065 0.701 18504 1920 1 4 . 1 1 102 102 LEU C C 102 179.324 179.324 178.550 0.774 18504 1921 1 4 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.307 0.189 18504 1922 1 4 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.085 -0.357 18504 1923 1 4 . 1 1 102 102 LEU H H 102 7.941 7.941 8.615 -0.674 18504 1924 1 4 . 1 1 103 103 LEU N N 103 115.920 115.920 119.000 -3.080 18504 1925 1 4 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.133 0.704 18504 1926 1 4 . 1 1 103 103 LEU C C 103 178.500 178.500 179.318 -0.818 18504 1927 1 4 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.335 -2.446 18504 1928 1 4 . 1 1 103 103 LEU CB C 103 43.766 43.766 40.827 2.939 18504 1929 1 4 . 1 1 103 103 LEU H H 103 8.266 8.266 7.268 0.998 18504 1930 1 4 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.123 0.512 18504 1931 1 4 . 1 1 105 105 LEU C C 105 175.743 175.743 179.026 -3.283 18504 1932 1 4 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.578 -0.481 18504 1933 1 4 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.511 -1.733 18504 1934 1 4 . 1 1 106 106 HIS N N 106 122.167 122.167 117.614 4.553 18504 1935 1 4 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.281 -0.015 18504 1936 1 4 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.477 -2.362 18504 1937 1 4 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.814 0.311 18504 1938 1 4 . 1 1 106 106 HIS H H 106 8.252 8.252 8.136 0.116 18504 1939 1 4 . 1 1 107 107 ASN C C 107 179.694 179.694 177.190 2.504 18504 1940 1 4 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.509 1.822 18504 1941 1 4 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.207 3.790 18504 1942 1 4 . 1 1 108 108 ASP N N 108 122.462 122.462 120.400 2.062 18504 1943 1 4 . 1 1 108 108 ASP C C 108 179.328 179.328 178.571 0.757 18504 1944 1 4 . 1 1 108 108 ASP CA C 108 57.689 57.689 57.338 0.351 18504 1945 1 4 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.912 1.128 18504 1946 1 4 . 1 1 108 108 ASP H H 108 8.174 8.174 8.091 0.083 18504 1947 1 4 . 1 1 109 109 LEU N N 109 115.664 115.664 119.885 -4.221 18504 1948 1 4 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.207 0.645 18504 1949 1 4 . 1 1 109 109 LEU C C 109 178.510 178.510 178.916 -0.406 18504 1950 1 4 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.888 -1.734 18504 1951 1 4 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.730 1.418 18504 1952 1 4 . 1 1 109 109 LEU H H 109 8.380 8.380 7.563 0.817 18504 1953 1 4 . 1 1 110 110 HIS N N 110 118.905 118.905 118.088 0.817 18504 1954 1 4 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.333 -0.423 18504 1955 1 4 . 1 1 110 110 HIS C C 110 176.152 176.152 176.211 -0.059 18504 1956 1 4 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.530 3.482 18504 1957 1 4 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.733 -1.621 18504 1958 1 4 . 1 1 110 110 HIS H H 110 8.518 8.518 8.254 0.264 18504 1959 1 4 . 1 1 111 111 GLU N N 111 117.923 117.923 117.613 0.310 18504 1960 1 4 . 1 1 111 111 GLU HA H 111 3.731 3.731 3.920 -0.189 18504 1961 1 4 . 1 1 111 111 GLU C C 111 176.596 176.596 176.579 0.017 18504 1962 1 4 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.577 -0.182 18504 1963 1 4 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.485 -0.441 18504 1964 1 4 . 1 1 111 111 GLU H H 111 8.018 8.018 7.950 0.068 18504 1965 1 4 . 1 1 112 112 TYR N N 112 114.607 114.607 116.693 -2.086 18504 1966 1 4 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.411 0.026 18504 1967 1 4 . 1 1 112 112 TYR C C 112 174.448 174.448 175.989 -1.541 18504 1968 1 4 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.182 -1.410 18504 1969 1 4 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.158 -0.171 18504 1970 1 4 . 1 1 112 112 TYR H H 112 7.905 7.905 7.295 0.610 18504 1971 1 4 . 1 1 113 113 VAL N N 113 118.003 118.003 120.446 -2.443 18504 1972 1 4 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.804 0.302 18504 1973 1 4 . 1 1 113 113 VAL C C 113 175.134 175.134 175.444 -0.310 18504 1974 1 4 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.532 -0.845 18504 1975 1 4 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.107 3.121 18504 1976 1 4 . 1 1 113 113 VAL H H 113 6.976 6.976 8.061 -1.085 18504 1977 1 5 . 1 1 27 27 SER HA H 27 4.339 4.339 4.862 -0.523 18504 1978 1 5 . 1 1 27 27 SER C C 27 175.743 175.743 172.974 2.769 18504 1979 1 5 . 1 1 27 27 SER CA C 27 60.497 60.497 57.315 3.182 18504 1980 1 5 . 1 1 27 27 SER CB C 27 63.659 63.659 64.724 -1.065 18504 1981 1 5 . 1 1 28 28 LYS N N 28 118.099 118.099 121.334 -3.235 18504 1982 1 5 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.585 0.633 18504 1983 1 5 . 1 1 28 28 LYS C C 28 175.699 175.699 175.316 0.383 18504 1984 1 5 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.955 -0.410 18504 1985 1 5 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.861 1.052 18504 1986 1 5 . 1 1 28 28 LYS H H 28 7.785 7.785 8.582 -0.797 18504 1987 1 5 . 1 1 29 29 GLN N N 29 122.481 122.481 124.291 -1.810 18504 1988 1 5 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.708 0.030 18504 1989 1 5 . 1 1 29 29 GLN C C 29 174.277 174.277 174.275 0.002 18504 1990 1 5 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.454 1.071 18504 1991 1 5 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.651 0.219 18504 1992 1 5 . 1 1 29 29 GLN H H 29 9.283 9.283 8.451 0.832 18504 1993 1 5 . 1 1 30 30 GLU N N 30 122.881 122.881 120.635 2.246 18504 1994 1 5 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.876 -0.600 18504 1995 1 5 . 1 1 30 30 GLU C C 30 173.313 173.313 174.759 -1.446 18504 1996 1 5 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.434 1.520 18504 1997 1 5 . 1 1 30 30 GLU CB C 30 31.054 31.054 32.197 -1.143 18504 1998 1 5 . 1 1 30 30 GLU H H 30 9.188 9.188 8.518 0.670 18504 1999 1 5 . 1 1 31 31 LEU N N 31 130.328 130.328 124.466 5.862 18504 2000 1 5 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.623 -0.330 18504 2001 1 5 . 1 1 31 31 LEU C C 31 171.909 171.909 176.108 -4.199 18504 2002 1 5 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.846 -0.565 18504 2003 1 5 . 1 1 31 31 LEU CB C 31 42.450 42.450 43.734 -1.284 18504 2004 1 5 . 1 1 31 31 LEU H H 31 9.016 9.016 7.971 1.045 18504 2005 1 5 . 1 1 32 32 ILE N N 32 120.632 120.632 125.096 -4.464 18504 2006 1 5 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.067 1.461 18504 2007 1 5 . 1 1 32 32 ILE C C 32 175.735 175.735 175.908 -0.173 18504 2008 1 5 . 1 1 32 32 ILE CA C 32 59.224 59.224 61.841 -2.617 18504 2009 1 5 . 1 1 32 32 ILE CB C 32 36.625 36.625 37.961 -1.336 18504 2010 1 5 . 1 1 32 32 ILE H H 32 8.738 8.738 8.398 0.340 18504 2011 1 5 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.942 -0.945 18504 2012 1 5 . 1 1 33 33 LEU C C 33 180.030 180.030 174.376 5.654 18504 2013 1 5 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.402 4.931 18504 2014 1 5 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.389 -3.956 18504 2015 1 5 . 1 1 34 34 VAL N N 34 124.025 124.025 117.848 6.177 18504 2016 1 5 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.485 -0.868 18504 2017 1 5 . 1 1 34 34 VAL C C 34 178.222 178.222 174.456 3.766 18504 2018 1 5 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.855 4.267 18504 2019 1 5 . 1 1 34 34 VAL CB C 34 37.942 37.942 34.557 3.385 18504 2020 1 5 . 1 1 34 34 VAL H H 34 7.751 7.751 8.617 -0.866 18504 2021 1 5 . 1 1 35 35 LEU N N 35 120.009 120.009 128.327 -8.318 18504 2022 1 5 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.566 -0.290 18504 2023 1 5 . 1 1 35 35 LEU C C 35 175.855 175.855 175.553 0.302 18504 2024 1 5 . 1 1 35 35 LEU CA C 35 57.375 57.375 54.138 3.237 18504 2025 1 5 . 1 1 35 35 LEU CB C 35 43.089 43.089 42.374 0.715 18504 2026 1 5 . 1 1 35 35 LEU H H 35 7.532 7.532 8.380 -0.848 18504 2027 1 5 . 1 1 36 36 LYS N N 36 115.805 115.805 124.667 -8.862 18504 2028 1 5 . 1 1 36 36 LYS C C 36 178.903 178.903 176.318 2.585 18504 2029 1 5 . 1 1 36 36 LYS CA C 36 58.347 58.347 55.358 2.989 18504 2030 1 5 . 1 1 36 36 LYS CB C 36 32.903 32.903 35.138 -2.235 18504 2031 1 5 . 1 1 36 36 LYS H H 36 7.501 7.501 8.458 -0.957 18504 2032 1 5 . 1 1 37 37 GLY N N 37 110.626 110.626 112.015 -1.389 18504 2033 1 5 . 1 1 37 37 GLY C C 37 174.865 174.865 175.415 -0.550 18504 2034 1 5 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.375 2.091 18504 2035 1 5 . 1 1 37 37 GLY H H 37 8.811 8.811 8.806 0.005 18504 2036 1 5 . 1 1 38 38 GLU N N 38 116.098 116.098 120.452 -4.354 18504 2037 1 5 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.193 0.109 18504 2038 1 5 . 1 1 38 38 GLU C C 38 176.681 176.681 176.089 0.592 18504 2039 1 5 . 1 1 38 38 GLU CA C 38 57.184 57.184 58.160 -0.976 18504 2040 1 5 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.180 -1.351 18504 2041 1 5 . 1 1 38 38 GLU H H 38 8.763 8.763 8.552 0.211 18504 2042 1 5 . 1 1 39 39 LEU N N 39 119.439 119.439 118.740 0.699 18504 2043 1 5 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.472 -0.206 18504 2044 1 5 . 1 1 39 39 LEU C C 39 176.016 176.016 175.577 0.439 18504 2045 1 5 . 1 1 39 39 LEU CA C 39 54.725 54.725 54.827 -0.102 18504 2046 1 5 . 1 1 39 39 LEU CB C 39 43.602 43.602 44.723 -1.121 18504 2047 1 5 . 1 1 39 39 LEU H H 39 7.167 7.167 7.750 -0.583 18504 2048 1 5 . 1 1 40 40 ASP N N 40 120.105 120.105 120.626 -0.521 18504 2049 1 5 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.666 0.062 18504 2050 1 5 . 1 1 40 40 ASP C C 40 178.198 178.198 175.163 3.035 18504 2051 1 5 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.809 -1.619 18504 2052 1 5 . 1 1 40 40 ASP CB C 40 40.557 40.557 40.773 -0.216 18504 2053 1 5 . 1 1 40 40 ASP H H 40 8.596 8.596 8.502 0.094 18504 2054 1 5 . 1 1 41 41 LEU N N 41 125.023 125.023 121.692 3.331 18504 2055 1 5 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.480 -0.727 18504 2056 1 5 . 1 1 41 41 LEU C C 41 175.113 175.113 175.550 -0.437 18504 2057 1 5 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.271 1.396 18504 2058 1 5 . 1 1 41 41 LEU CB C 41 39.849 39.849 43.592 -3.743 18504 2059 1 5 . 1 1 41 41 LEU H H 41 9.029 9.029 7.425 1.604 18504 2060 1 5 . 1 1 42 42 HIS N N 42 113.184 113.184 121.220 -8.036 18504 2061 1 5 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.318 0.206 18504 2062 1 5 . 1 1 42 42 HIS C C 42 175.855 175.855 173.866 1.989 18504 2063 1 5 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.395 -0.479 18504 2064 1 5 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.046 0.091 18504 2065 1 5 . 1 1 42 42 HIS H H 42 8.065 8.065 8.599 -0.534 18504 2066 1 5 . 1 1 43 43 SER N N 43 116.013 116.013 120.689 -4.676 18504 2067 1 5 . 1 1 43 43 SER HA H 43 4.524 4.524 4.403 0.121 18504 2068 1 5 . 1 1 43 43 SER C C 43 174.426 174.426 175.305 -0.879 18504 2069 1 5 . 1 1 43 43 SER CA C 43 58.206 58.206 58.698 -0.492 18504 2070 1 5 . 1 1 43 43 SER CB C 43 65.517 65.517 63.775 1.742 18504 2071 1 5 . 1 1 43 43 SER H H 43 7.511 7.511 8.383 -0.872 18504 2072 1 5 . 1 1 44 44 LYS N N 44 123.332 123.332 125.337 -2.005 18504 2073 1 5 . 1 1 44 44 LYS C C 44 177.791 177.791 177.890 -0.099 18504 2074 1 5 . 1 1 44 44 LYS CA C 44 59.456 59.456 57.961 1.495 18504 2075 1 5 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.601 -2.429 18504 2076 1 5 . 1 1 44 44 LYS H H 44 8.846 8.846 8.712 0.134 18504 2077 1 5 . 1 1 45 45 ASN N N 45 118.501 118.501 117.472 1.029 18504 2078 1 5 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.394 0.076 18504 2079 1 5 . 1 1 45 45 ASN C C 45 177.817 177.817 176.887 0.930 18504 2080 1 5 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.225 0.703 18504 2081 1 5 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.094 0.310 18504 2082 1 5 . 1 1 45 45 ASN H H 45 8.545 8.545 8.460 0.085 18504 2083 1 5 . 1 1 46 46 MET N N 46 116.171 116.171 119.295 -3.124 18504 2084 1 5 . 1 1 46 46 MET HA H 46 4.471 4.471 4.326 0.145 18504 2085 1 5 . 1 1 46 46 MET C C 46 178.964 178.964 177.829 1.135 18504 2086 1 5 . 1 1 46 46 MET CA C 46 55.467 55.467 60.058 -4.591 18504 2087 1 5 . 1 1 46 46 MET CB C 46 29.707 29.707 32.417 -2.710 18504 2088 1 5 . 1 1 46 46 MET H H 46 7.379 7.379 7.687 -0.308 18504 2089 1 5 . 1 1 47 47 LYS N N 47 121.054 121.054 117.273 3.781 18504 2090 1 5 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.936 -0.052 18504 2091 1 5 . 1 1 47 47 LYS C C 47 179.310 179.310 179.054 0.256 18504 2092 1 5 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.278 1.062 18504 2093 1 5 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.735 0.015 18504 2094 1 5 . 1 1 47 47 LYS H H 47 8.450 8.450 8.254 0.196 18504 2095 1 5 . 1 1 48 48 ASN N N 48 117.137 117.137 118.054 -0.917 18504 2096 1 5 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.430 -0.549 18504 2097 1 5 . 1 1 48 48 ASN C C 48 177.733 177.733 177.543 0.190 18504 2098 1 5 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.751 -0.211 18504 2099 1 5 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.664 -0.331 18504 2100 1 5 . 1 1 48 48 ASN H H 48 7.896 7.896 7.538 0.358 18504 2101 1 5 . 1 1 49 49 VAL N N 49 121.225 121.225 119.597 1.628 18504 2102 1 5 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.448 0.231 18504 2103 1 5 . 1 1 49 49 VAL C C 49 176.675 176.675 177.497 -0.822 18504 2104 1 5 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.874 -0.440 18504 2105 1 5 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.136 0.933 18504 2106 1 5 . 1 1 49 49 VAL H H 49 7.869 7.869 7.923 -0.054 18504 2107 1 5 . 1 1 50 50 ILE N N 50 120.523 120.523 119.829 0.694 18504 2108 1 5 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.432 0.818 18504 2109 1 5 . 1 1 50 50 ILE C C 50 179.831 179.831 178.257 1.574 18504 2110 1 5 . 1 1 50 50 ILE CA C 50 57.940 57.940 65.150 -7.210 18504 2111 1 5 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.238 2.874 18504 2112 1 5 . 1 1 50 50 ILE H H 50 8.093 8.093 7.515 0.578 18504 2113 1 5 . 1 1 51 51 ASN N N 51 117.280 117.280 117.538 -0.258 18504 2114 1 5 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.496 -0.477 18504 2115 1 5 . 1 1 51 51 ASN C C 51 178.496 178.496 177.657 0.839 18504 2116 1 5 . 1 1 51 51 ASN CA C 51 56.612 56.612 55.820 0.792 18504 2117 1 5 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.474 -0.119 18504 2118 1 5 . 1 1 51 51 ASN H H 51 7.953 7.953 7.878 0.075 18504 2119 1 5 . 1 1 52 52 ASN N N 52 118.893 118.893 119.257 -0.364 18504 2120 1 5 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.541 -0.126 18504 2121 1 5 . 1 1 52 52 ASN C C 52 176.434 176.434 177.228 -0.794 18504 2122 1 5 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.427 0.343 18504 2123 1 5 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.616 -0.263 18504 2124 1 5 . 1 1 52 52 ASN H H 52 8.347 8.347 8.474 -0.127 18504 2125 1 5 . 1 1 53 53 ALA N N 53 122.291 122.291 121.879 0.412 18504 2126 1 5 . 1 1 53 53 ALA HA H 53 4.514 4.514 3.929 0.585 18504 2127 1 5 . 1 1 53 53 ALA C C 53 180.689 180.689 179.037 1.652 18504 2128 1 5 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.437 -0.536 18504 2129 1 5 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.165 -0.264 18504 2130 1 5 . 1 1 53 53 ALA H H 53 7.706 7.706 8.617 -0.911 18504 2131 1 5 . 1 1 54 54 LYS N N 54 119.091 119.091 118.111 0.980 18504 2132 1 5 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.165 -0.328 18504 2133 1 5 . 1 1 54 54 LYS C C 54 178.066 178.066 178.602 -0.536 18504 2134 1 5 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.127 1.179 18504 2135 1 5 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.364 -0.276 18504 2136 1 5 . 1 1 54 54 LYS H H 54 8.375 8.375 7.680 0.695 18504 2137 1 5 . 1 1 55 55 LYS N N 55 119.370 119.370 119.369 0.001 18504 2138 1 5 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.981 -0.108 18504 2139 1 5 . 1 1 55 55 LYS C C 55 179.819 179.819 179.253 0.566 18504 2140 1 5 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.781 0.505 18504 2141 1 5 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.221 -0.231 18504 2142 1 5 . 1 1 55 55 LYS H H 55 8.259 8.259 7.715 0.544 18504 2143 1 5 . 1 1 56 56 ASN N N 56 119.303 119.303 118.522 0.781 18504 2144 1 5 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.418 -0.009 18504 2145 1 5 . 1 1 56 56 ASN C C 56 178.899 178.899 177.632 1.267 18504 2146 1 5 . 1 1 56 56 ASN CA C 56 55.740 55.740 56.305 -0.565 18504 2147 1 5 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.809 -1.706 18504 2148 1 5 . 1 1 56 56 ASN H H 56 8.235 8.235 8.006 0.229 18504 2149 1 5 . 1 1 57 57 LEU N N 57 123.252 123.252 121.996 1.256 18504 2150 1 5 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.385 0.297 18504 2151 1 5 . 1 1 57 57 LEU C C 57 178.541 178.541 179.140 -0.599 18504 2152 1 5 . 1 1 57 57 LEU CA C 57 58.199 58.199 59.258 -1.058 18504 2153 1 5 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.184 0.442 18504 2154 1 5 . 1 1 57 57 LEU H H 57 8.210 8.210 8.037 0.173 18504 2155 1 5 . 1 1 58 58 GLU N N 58 118.795 118.795 116.667 2.128 18504 2156 1 5 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.960 0.043 18504 2157 1 5 . 1 1 58 58 GLU C C 58 177.333 177.333 178.707 -1.374 18504 2158 1 5 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.643 1.502 18504 2159 1 5 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.174 1.138 18504 2160 1 5 . 1 1 58 58 GLU H H 58 8.846 8.846 8.170 0.676 18504 2161 1 5 . 1 1 59 59 LYS N N 59 118.325 118.325 119.429 -1.104 18504 2162 1 5 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.999 0.475 18504 2163 1 5 . 1 1 59 59 LYS C C 59 178.428 178.428 178.967 -0.539 18504 2164 1 5 . 1 1 59 59 LYS CA C 59 60.145 60.145 58.713 1.432 18504 2165 1 5 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.668 1.020 18504 2166 1 5 . 1 1 59 59 LYS H H 59 8.373 8.373 7.547 0.826 18504 2167 1 5 . 1 1 60 60 TYR N N 60 119.345 119.345 117.425 1.920 18504 2168 1 5 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.350 -0.023 18504 2169 1 5 . 1 1 60 60 TYR C C 60 178.899 178.899 178.681 0.218 18504 2170 1 5 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.558 1.836 18504 2171 1 5 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.360 -0.066 18504 2172 1 5 . 1 1 60 60 TYR H H 60 7.532 7.532 7.755 -0.223 18504 2173 1 5 . 1 1 61 61 PHE N N 61 118.931 118.931 121.054 -2.123 18504 2174 1 5 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.835 -0.507 18504 2175 1 5 . 1 1 61 61 PHE C C 61 178.450 178.450 177.033 1.417 18504 2176 1 5 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.072 2.322 18504 2177 1 5 . 1 1 61 61 PHE CB C 61 37.923 37.923 40.050 -2.127 18504 2178 1 5 . 1 1 61 61 PHE H H 61 8.607 8.607 8.055 0.552 18504 2179 1 5 . 1 1 62 62 LYS N N 62 118.337 118.337 118.485 -0.148 18504 2180 1 5 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.233 0.069 18504 2181 1 5 . 1 1 62 62 LYS C C 62 178.333 178.333 177.907 0.426 18504 2182 1 5 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.953 0.358 18504 2183 1 5 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.604 0.245 18504 2184 1 5 . 1 1 62 62 LYS H H 62 8.615 8.615 8.654 -0.039 18504 2185 1 5 . 1 1 63 63 GLU N N 63 116.360 116.360 117.397 -1.037 18504 2186 1 5 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.211 -0.285 18504 2187 1 5 . 1 1 63 63 GLU C C 63 177.317 177.317 177.538 -0.221 18504 2188 1 5 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.815 0.501 18504 2189 1 5 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.641 -1.285 18504 2190 1 5 . 1 1 63 63 GLU H H 63 7.547 7.547 7.870 -0.323 18504 2191 1 5 . 1 1 64 64 HIS N N 64 113.580 113.580 117.043 -3.463 18504 2192 1 5 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.670 -0.249 18504 2193 1 5 . 1 1 64 64 HIS C C 64 173.911 173.911 175.147 -1.236 18504 2194 1 5 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.300 2.782 18504 2195 1 5 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.564 1.270 18504 2196 1 5 . 1 1 64 64 HIS H H 64 7.013 7.013 7.886 -0.873 18504 2197 1 5 . 1 1 65 65 PHE N N 65 119.434 119.434 118.015 1.419 18504 2198 1 5 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.081 0.855 18504 2199 1 5 . 1 1 65 65 PHE C C 65 175.232 175.232 174.876 0.356 18504 2200 1 5 . 1 1 65 65 PHE CA C 65 57.223 57.223 60.850 -3.627 18504 2201 1 5 . 1 1 65 65 PHE CB C 65 40.362 40.362 38.148 2.214 18504 2202 1 5 . 1 1 65 65 PHE H H 65 8.340 8.340 8.472 -0.132 18504 2203 1 5 . 1 1 66 66 LYS N N 66 123.217 123.217 121.137 2.080 18504 2204 1 5 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.125 0.163 18504 2205 1 5 . 1 1 66 66 LYS C C 66 177.685 177.685 176.255 1.430 18504 2206 1 5 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.501 2.297 18504 2207 1 5 . 1 1 66 66 LYS CB C 66 32.473 32.473 32.620 -0.147 18504 2208 1 5 . 1 1 66 66 LYS H H 66 8.590 8.590 8.437 0.153 18504 2209 1 5 . 1 1 67 67 GLU N N 67 117.085 117.085 120.355 -3.270 18504 2210 1 5 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.510 -0.149 18504 2211 1 5 . 1 1 67 67 GLU C C 67 175.770 175.770 175.596 0.174 18504 2212 1 5 . 1 1 67 67 GLU CA C 67 56.364 56.364 55.881 0.483 18504 2213 1 5 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.839 -1.736 18504 2214 1 5 . 1 1 67 67 GLU H H 67 8.969 8.969 8.470 0.499 18504 2215 1 5 . 1 1 68 68 PHE N N 68 121.127 121.127 116.309 4.818 18504 2216 1 5 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.744 -0.472 18504 2217 1 5 . 1 1 68 68 PHE C C 68 173.621 173.621 173.917 -0.296 18504 2218 1 5 . 1 1 68 68 PHE CA C 68 59.096 59.096 56.123 2.973 18504 2219 1 5 . 1 1 68 68 PHE CB C 68 40.772 40.772 38.718 2.054 18504 2220 1 5 . 1 1 68 68 PHE H H 68 7.752 7.752 8.320 -0.568 18504 2221 1 5 . 1 1 69 69 ASP N N 69 125.720 125.720 120.882 4.838 18504 2222 1 5 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.415 0.188 18504 2223 1 5 . 1 1 69 69 ASP C C 69 173.387 173.387 174.955 -1.568 18504 2224 1 5 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.104 0.777 18504 2225 1 5 . 1 1 69 69 ASP CB C 69 41.806 41.806 41.387 0.419 18504 2226 1 5 . 1 1 69 69 ASP H H 69 7.767 7.767 8.073 -0.306 18504 2227 1 5 . 1 1 70 70 LYS N N 70 115.004 115.004 118.323 -3.319 18504 2228 1 5 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.204 0.245 18504 2229 1 5 . 1 1 70 70 LYS C C 70 175.841 175.841 175.386 0.455 18504 2230 1 5 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.795 0.691 18504 2231 1 5 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.270 -0.490 18504 2232 1 5 . 1 1 70 70 LYS H H 70 7.305 7.305 7.789 -0.484 18504 2233 1 5 . 1 1 71 71 ILE N N 71 122.809 122.809 119.748 3.061 18504 2234 1 5 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.353 0.356 18504 2235 1 5 . 1 1 71 71 ILE C C 71 175.120 175.120 175.015 0.105 18504 2236 1 5 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.258 -1.006 18504 2237 1 5 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.099 -1.797 18504 2238 1 5 . 1 1 71 71 ILE H H 71 9.522 9.522 8.333 1.189 18504 2239 1 5 . 1 1 72 72 SER N N 72 121.741 121.741 117.985 3.756 18504 2240 1 5 . 1 1 72 72 SER HA H 72 4.920 4.920 5.102 -0.182 18504 2241 1 5 . 1 1 72 72 SER C C 72 172.157 172.157 172.757 -0.600 18504 2242 1 5 . 1 1 72 72 SER CA C 72 57.730 57.730 57.032 0.698 18504 2243 1 5 . 1 1 72 72 SER CB C 72 65.634 65.634 65.460 0.174 18504 2244 1 5 . 1 1 72 72 SER H H 72 8.760 8.760 8.357 0.403 18504 2245 1 5 . 1 1 73 73 TYR N N 73 118.245 118.245 117.873 0.372 18504 2246 1 5 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.888 0.833 18504 2247 1 5 . 1 1 73 73 TYR C C 73 173.231 173.231 173.575 -0.344 18504 2248 1 5 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.229 -0.999 18504 2249 1 5 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.712 1.671 18504 2250 1 5 . 1 1 73 73 TYR H H 73 8.275 8.275 8.396 -0.121 18504 2251 1 5 . 1 1 74 74 ASP N N 74 120.379 120.379 119.469 0.910 18504 2252 1 5 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.775 0.280 18504 2253 1 5 . 1 1 74 74 ASP C C 74 174.827 174.827 174.125 0.702 18504 2254 1 5 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.773 -0.172 18504 2255 1 5 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.555 0.085 18504 2256 1 5 . 1 1 74 74 ASP H H 74 9.332 9.332 8.495 0.837 18504 2257 1 5 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.522 0.062 18504 2258 1 5 . 1 1 75 75 ILE C C 75 177.411 177.411 174.307 3.104 18504 2259 1 5 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.746 -0.537 18504 2260 1 5 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.133 0.635 18504 2261 1 5 . 1 1 75 75 ILE H H 75 7.501 7.501 8.185 -0.684 18504 2262 1 5 . 1 1 76 76 SER N N 76 117.836 117.836 124.088 -6.252 18504 2263 1 5 . 1 1 76 76 SER HA H 76 5.450 5.450 4.775 0.675 18504 2264 1 5 . 1 1 76 76 SER C C 76 173.767 173.767 173.314 0.453 18504 2265 1 5 . 1 1 76 76 SER CA C 76 57.758 57.758 57.323 0.435 18504 2266 1 5 . 1 1 76 76 SER CB C 76 64.462 64.462 63.385 1.077 18504 2267 1 5 . 1 1 76 76 SER H H 76 9.050 9.050 8.460 0.590 18504 2268 1 5 . 1 1 77 77 THR N N 77 117.435 117.435 118.328 -0.893 18504 2269 1 5 . 1 1 77 77 THR HA H 77 4.959 4.959 4.110 0.849 18504 2270 1 5 . 1 1 77 77 THR C C 77 172.636 172.636 173.543 -0.907 18504 2271 1 5 . 1 1 77 77 THR CA C 77 58.870 58.870 62.926 -4.056 18504 2272 1 5 . 1 1 77 77 THR CB C 77 69.935 69.935 67.773 2.162 18504 2273 1 5 . 1 1 77 77 THR H H 77 8.601 8.601 8.419 0.182 18504 2274 1 5 . 1 1 78 78 PRO C C 78 179.328 179.328 176.252 3.076 18504 2275 1 5 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.811 -1.329 18504 2276 1 5 . 1 1 78 78 PRO CB C 78 32.162 32.162 32.176 -0.014 18504 2277 1 5 . 1 1 79 79 ILE N N 79 120.707 120.707 117.151 3.556 18504 2278 1 5 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.328 0.293 18504 2279 1 5 . 1 1 79 79 ILE C C 79 177.212 177.212 175.198 2.014 18504 2280 1 5 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.161 5.760 18504 2281 1 5 . 1 1 79 79 ILE CB C 79 37.468 37.468 36.116 1.352 18504 2282 1 5 . 1 1 79 79 ILE H H 79 8.227 8.227 7.985 0.242 18504 2283 1 5 . 1 1 80 80 ASN N N 80 118.168 118.168 120.189 -2.021 18504 2284 1 5 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.695 -0.265 18504 2285 1 5 . 1 1 80 80 ASN C C 80 178.172 178.172 173.129 5.043 18504 2286 1 5 . 1 1 80 80 ASN CA C 80 56.763 56.763 52.995 3.768 18504 2287 1 5 . 1 1 80 80 ASN CB C 80 38.087 38.087 40.553 -2.466 18504 2288 1 5 . 1 1 80 80 ASN H H 80 8.466 8.466 7.459 1.007 18504 2289 1 5 . 1 1 81 81 PHE N N 81 129.059 129.059 115.957 13.102 18504 2290 1 5 . 1 1 81 81 PHE C C 81 174.016 174.016 173.961 0.055 18504 2291 1 5 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.919 -2.100 18504 2292 1 5 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.366 -2.593 18504 2293 1 5 . 1 1 81 81 PHE H H 81 9.152 9.152 7.647 1.505 18504 2294 1 5 . 1 1 82 82 LEU N N 82 124.640 124.640 119.893 4.747 18504 2295 1 5 . 1 1 82 82 LEU HA H 82 4.993 4.993 5.068 -0.075 18504 2296 1 5 . 1 1 82 82 LEU C C 82 173.695 173.695 175.034 -1.339 18504 2297 1 5 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.849 -0.099 18504 2298 1 5 . 1 1 82 82 LEU CB C 82 44.936 44.936 45.905 -0.969 18504 2299 1 5 . 1 1 82 82 LEU H H 82 9.147 9.147 8.437 0.710 18504 2300 1 5 . 1 1 83 83 CYS N N 83 126.066 126.066 121.600 4.466 18504 2301 1 5 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.790 0.448 18504 2302 1 5 . 1 1 83 83 CYS C C 83 173.733 173.733 172.657 1.076 18504 2303 1 5 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.152 -0.791 18504 2304 1 5 . 1 1 83 83 CYS CB C 83 28.374 28.374 30.593 -2.219 18504 2305 1 5 . 1 1 83 83 CYS H H 83 9.065 9.065 8.403 0.662 18504 2306 1 5 . 1 1 84 84 ILE N N 84 126.110 126.110 125.014 1.096 18504 2307 1 5 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.609 -0.250 18504 2308 1 5 . 1 1 84 84 ILE C C 84 174.745 174.745 173.944 0.801 18504 2309 1 5 . 1 1 84 84 ILE CA C 84 60.519 60.519 59.963 0.556 18504 2310 1 5 . 1 1 84 84 ILE CB C 84 40.358 40.358 41.618 -1.260 18504 2311 1 5 . 1 1 84 84 ILE H H 84 9.426 9.426 8.034 1.392 18504 2312 1 5 . 1 1 85 85 PHE N N 85 126.315 126.315 125.656 0.659 18504 2313 1 5 . 1 1 85 85 PHE HA H 85 5.019 5.019 5.009 0.010 18504 2314 1 5 . 1 1 85 85 PHE C C 85 175.358 175.358 174.846 0.512 18504 2315 1 5 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.950 0.781 18504 2316 1 5 . 1 1 85 85 PHE CB C 85 38.742 38.742 41.753 -3.011 18504 2317 1 5 . 1 1 85 85 PHE H H 85 8.337 8.337 8.280 0.057 18504 2318 1 5 . 1 1 86 86 ILE N N 86 126.561 126.561 125.583 0.978 18504 2319 1 5 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.861 0.042 18504 2320 1 5 . 1 1 86 86 ILE C C 86 173.967 173.967 173.566 0.401 18504 2321 1 5 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.078 -1.692 18504 2322 1 5 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.809 -1.998 18504 2323 1 5 . 1 1 86 86 ILE H H 86 9.161 9.161 9.205 -0.044 18504 2324 1 5 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.758 0.264 18504 2325 1 5 . 1 1 87 87 PRO C C 87 177.938 177.938 175.972 1.966 18504 2326 1 5 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.971 -0.463 18504 2327 1 5 . 1 1 87 87 PRO CB C 87 32.534 32.534 30.879 1.655 18504 2328 1 5 . 1 1 88 88 THR N N 88 113.282 113.282 118.144 -4.862 18504 2329 1 5 . 1 1 88 88 THR HA H 88 4.486 4.486 4.708 -0.222 18504 2330 1 5 . 1 1 88 88 THR C C 88 176.082 176.082 173.394 2.688 18504 2331 1 5 . 1 1 88 88 THR CA C 88 60.306 60.306 61.651 -1.345 18504 2332 1 5 . 1 1 88 88 THR CB C 88 66.727 66.727 72.224 -5.497 18504 2333 1 5 . 1 1 88 88 THR H H 88 8.003 8.003 7.814 0.189 18504 2334 1 5 . 1 1 89 89 LEU N N 89 122.317 122.317 121.431 0.886 18504 2335 1 5 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.224 -0.215 18504 2336 1 5 . 1 1 89 89 LEU C C 89 175.776 175.776 174.696 1.080 18504 2337 1 5 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.414 -0.445 18504 2338 1 5 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.988 -0.992 18504 2339 1 5 . 1 1 89 89 LEU H H 89 7.822 7.822 8.393 -0.571 18504 2340 1 5 . 1 1 90 90 PHE N N 90 114.801 114.801 112.347 2.454 18504 2341 1 5 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.363 1.197 18504 2342 1 5 . 1 1 90 90 PHE C C 90 175.869 175.869 174.258 1.611 18504 2343 1 5 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.069 -2.973 18504 2344 1 5 . 1 1 90 90 PHE CB C 90 40.107 40.107 37.767 2.340 18504 2345 1 5 . 1 1 90 90 PHE H H 90 7.110 7.110 7.843 -0.733 18504 2346 1 5 . 1 1 91 91 ASP N N 91 127.244 127.244 123.951 3.293 18504 2347 1 5 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.696 -0.139 18504 2348 1 5 . 1 1 91 91 ASP C C 91 175.684 175.684 176.531 -0.847 18504 2349 1 5 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.448 -1.479 18504 2350 1 5 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.151 1.065 18504 2351 1 5 . 1 1 91 91 ASP H H 91 9.852 9.852 8.323 1.529 18504 2352 1 5 . 1 1 92 92 MET N N 92 113.730 113.730 120.054 -6.324 18504 2353 1 5 . 1 1 92 92 MET HA H 92 4.278 4.278 4.215 0.063 18504 2354 1 5 . 1 1 92 92 MET C C 92 177.571 177.571 177.149 0.422 18504 2355 1 5 . 1 1 92 92 MET CA C 92 58.815 58.815 57.691 1.124 18504 2356 1 5 . 1 1 92 92 MET CB C 92 32.010 32.010 32.562 -0.552 18504 2357 1 5 . 1 1 92 92 MET H H 92 8.574 8.574 7.896 0.678 18504 2358 1 5 . 1 1 93 93 ASN N N 93 115.175 115.175 115.486 -0.311 18504 2359 1 5 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.877 -0.128 18504 2360 1 5 . 1 1 93 93 ASN C C 93 176.300 176.300 174.774 1.526 18504 2361 1 5 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.575 0.618 18504 2362 1 5 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.863 0.563 18504 2363 1 5 . 1 1 93 93 ASN H H 93 8.576 8.576 8.615 -0.039 18504 2364 1 5 . 1 1 94 94 ASN N N 94 119.005 119.005 113.314 5.691 18504 2365 1 5 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.519 0.672 18504 2366 1 5 . 1 1 94 94 ASN C C 94 177.230 177.230 174.677 2.553 18504 2367 1 5 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.595 -1.964 18504 2368 1 5 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.482 0.611 18504 2369 1 5 . 1 1 94 94 ASN H H 94 8.049 8.049 8.428 -0.379 18504 2370 1 5 . 1 1 95 95 MET N N 95 117.771 117.771 114.392 3.379 18504 2371 1 5 . 1 1 95 95 MET HA H 95 4.048 4.048 4.406 -0.358 18504 2372 1 5 . 1 1 95 95 MET C C 95 178.005 178.005 174.871 3.134 18504 2373 1 5 . 1 1 95 95 MET CA C 95 58.275 58.275 56.274 2.001 18504 2374 1 5 . 1 1 95 95 MET CB C 95 32.327 32.327 33.785 -1.458 18504 2375 1 5 . 1 1 95 95 MET H H 95 7.489 7.489 7.804 -0.315 18504 2376 1 5 . 1 1 96 96 ASP N N 96 115.629 115.629 121.927 -6.298 18504 2377 1 5 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.782 -0.179 18504 2378 1 5 . 1 1 96 96 ASP C C 96 175.593 175.593 175.014 0.579 18504 2379 1 5 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.864 0.076 18504 2380 1 5 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.481 -2.036 18504 2381 1 5 . 1 1 96 96 ASP H H 96 7.777 7.777 8.404 -0.627 18504 2382 1 5 . 1 1 97 97 LEU N N 97 116.343 116.343 121.453 -5.110 18504 2383 1 5 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.656 -0.039 18504 2384 1 5 . 1 1 97 97 LEU C C 97 174.835 174.835 177.114 -2.279 18504 2385 1 5 . 1 1 97 97 LEU CA C 97 54.433 54.433 56.143 -1.710 18504 2386 1 5 . 1 1 97 97 LEU CB C 97 39.082 39.082 43.032 -3.950 18504 2387 1 5 . 1 1 97 97 LEU H H 97 8.027 8.027 8.266 -0.239 18504 2388 1 5 . 1 1 98 98 LEU N N 98 118.769 118.769 120.528 -1.759 18504 2389 1 5 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.255 -0.891 18504 2390 1 5 . 1 1 98 98 LEU C C 98 177.586 177.586 178.254 -0.668 18504 2391 1 5 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.312 0.907 18504 2392 1 5 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.850 -2.751 18504 2393 1 5 . 1 1 98 98 LEU H H 98 7.798 7.798 8.316 -0.518 18504 2394 1 5 . 1 1 99 99 LYS N N 99 117.567 117.567 119.329 -1.762 18504 2395 1 5 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.863 -0.447 18504 2396 1 5 . 1 1 99 99 LYS C C 99 177.639 177.639 178.829 -1.190 18504 2397 1 5 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.465 1.368 18504 2398 1 5 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.977 0.067 18504 2399 1 5 . 1 1 99 99 LYS H H 99 7.603 7.603 8.284 -0.681 18504 2400 1 5 . 1 1 100 100 GLN N N 100 114.564 114.564 118.117 -3.553 18504 2401 1 5 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.138 -0.326 18504 2402 1 5 . 1 1 100 100 GLN C C 100 178.165 178.165 177.533 0.632 18504 2403 1 5 . 1 1 100 100 GLN CA C 100 58.784 58.784 59.040 -0.256 18504 2404 1 5 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.516 -1.033 18504 2405 1 5 . 1 1 100 100 GLN H H 100 7.625 7.625 7.774 -0.149 18504 2406 1 5 . 1 1 101 101 ALA N N 101 121.499 121.499 122.636 -1.137 18504 2407 1 5 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.133 -0.845 18504 2408 1 5 . 1 1 101 101 ALA C C 101 178.865 178.865 179.860 -0.995 18504 2409 1 5 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.737 0.227 18504 2410 1 5 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.355 -0.494 18504 2411 1 5 . 1 1 101 101 ALA H H 101 7.355 7.355 7.956 -0.601 18504 2412 1 5 . 1 1 102 102 LEU N N 102 115.061 115.061 118.258 -3.197 18504 2413 1 5 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.122 0.644 18504 2414 1 5 . 1 1 102 102 LEU C C 102 179.324 179.324 178.858 0.466 18504 2415 1 5 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.617 -0.121 18504 2416 1 5 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.210 -0.482 18504 2417 1 5 . 1 1 102 102 LEU H H 102 7.941 7.941 8.307 -0.366 18504 2418 1 5 . 1 1 103 103 LEU N N 103 115.920 115.920 120.335 -4.415 18504 2419 1 5 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.109 0.728 18504 2420 1 5 . 1 1 103 103 LEU C C 103 178.500 178.500 179.184 -0.684 18504 2421 1 5 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.744 -2.855 18504 2422 1 5 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.110 1.656 18504 2423 1 5 . 1 1 103 103 LEU H H 103 8.266 8.266 7.509 0.757 18504 2424 1 5 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.137 0.498 18504 2425 1 5 . 1 1 105 105 LEU C C 105 175.743 175.743 178.309 -2.566 18504 2426 1 5 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.501 -0.404 18504 2427 1 5 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.951 -2.173 18504 2428 1 5 . 1 1 106 106 HIS N N 106 122.167 122.167 118.574 3.593 18504 2429 1 5 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.233 0.033 18504 2430 1 5 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.059 -2.945 18504 2431 1 5 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.898 -0.773 18504 2432 1 5 . 1 1 106 106 HIS H H 106 8.252 8.252 8.259 -0.007 18504 2433 1 5 . 1 1 107 107 ASN C C 107 179.694 179.694 177.238 2.456 18504 2434 1 5 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.566 1.765 18504 2435 1 5 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.517 3.480 18504 2436 1 5 . 1 1 108 108 ASP N N 108 122.462 122.462 118.712 3.750 18504 2437 1 5 . 1 1 108 108 ASP C C 108 179.328 179.328 177.478 1.850 18504 2438 1 5 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.725 0.964 18504 2439 1 5 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.305 0.735 18504 2440 1 5 . 1 1 108 108 ASP H H 108 8.174 8.174 7.726 0.448 18504 2441 1 5 . 1 1 109 109 LEU N N 109 115.664 115.664 117.478 -1.814 18504 2442 1 5 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.402 0.450 18504 2443 1 5 . 1 1 109 109 LEU C C 109 178.510 178.510 176.794 1.716 18504 2444 1 5 . 1 1 109 109 LEU CA C 109 55.154 55.154 54.858 0.295 18504 2445 1 5 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.307 1.841 18504 2446 1 5 . 1 1 109 109 LEU H H 109 8.380 8.380 7.261 1.119 18504 2447 1 5 . 1 1 110 110 HIS N N 110 118.905 118.905 116.977 1.928 18504 2448 1 5 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.172 -0.262 18504 2449 1 5 . 1 1 110 110 HIS C C 110 176.152 176.152 176.922 -0.770 18504 2450 1 5 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.485 2.527 18504 2451 1 5 . 1 1 110 110 HIS CB C 110 28.112 28.112 30.444 -2.332 18504 2452 1 5 . 1 1 110 110 HIS H H 110 8.518 8.518 7.827 0.691 18504 2453 1 5 . 1 1 111 111 GLU N N 111 117.923 117.923 118.626 -0.703 18504 2454 1 5 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.101 -0.370 18504 2455 1 5 . 1 1 111 111 GLU C C 111 176.596 176.596 176.916 -0.320 18504 2456 1 5 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.683 -0.289 18504 2457 1 5 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.940 -0.896 18504 2458 1 5 . 1 1 111 111 GLU H H 111 8.018 8.018 8.232 -0.214 18504 2459 1 5 . 1 1 112 112 TYR N N 112 114.607 114.607 115.492 -0.885 18504 2460 1 5 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.355 0.082 18504 2461 1 5 . 1 1 112 112 TYR C C 112 174.448 174.448 174.498 -0.050 18504 2462 1 5 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.363 -1.591 18504 2463 1 5 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.762 0.225 18504 2464 1 5 . 1 1 112 112 TYR H H 112 7.905 7.905 7.846 0.059 18504 2465 1 5 . 1 1 113 113 VAL N N 113 118.003 118.003 121.649 -3.646 18504 2466 1 5 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.921 0.185 18504 2467 1 5 . 1 1 113 113 VAL C C 113 175.134 175.134 174.751 0.383 18504 2468 1 5 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.398 -0.711 18504 2469 1 5 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.413 2.815 18504 2470 1 5 . 1 1 113 113 VAL H H 113 6.976 6.976 8.339 -1.363 18504 2471 1 6 . 1 1 27 27 SER HA H 27 4.339 4.339 4.790 -0.451 18504 2472 1 6 . 1 1 27 27 SER C C 27 175.743 175.743 173.585 2.158 18504 2473 1 6 . 1 1 27 27 SER CA C 27 60.497 60.497 57.756 2.741 18504 2474 1 6 . 1 1 27 27 SER CB C 27 63.659 63.659 64.485 -0.826 18504 2475 1 6 . 1 1 28 28 LYS N N 28 118.099 118.099 126.305 -8.206 18504 2476 1 6 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.539 0.679 18504 2477 1 6 . 1 1 28 28 LYS C C 28 175.699 175.699 176.112 -0.413 18504 2478 1 6 . 1 1 28 28 LYS CA C 28 55.545 55.545 56.223 -0.678 18504 2479 1 6 . 1 1 28 28 LYS CB C 28 35.913 35.913 33.772 2.141 18504 2480 1 6 . 1 1 28 28 LYS H H 28 7.785 7.785 8.753 -0.968 18504 2481 1 6 . 1 1 29 29 GLN N N 29 122.481 122.481 124.113 -1.632 18504 2482 1 6 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.578 0.160 18504 2483 1 6 . 1 1 29 29 GLN C C 29 174.277 174.277 173.395 0.882 18504 2484 1 6 . 1 1 29 29 GLN CA C 29 55.525 55.525 55.605 -0.080 18504 2485 1 6 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.228 -0.358 18504 2486 1 6 . 1 1 29 29 GLN H H 29 9.283 9.283 8.477 0.806 18504 2487 1 6 . 1 1 30 30 GLU N N 30 122.881 122.881 121.817 1.064 18504 2488 1 6 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.642 -0.366 18504 2489 1 6 . 1 1 30 30 GLU C C 30 173.313 173.313 174.780 -1.467 18504 2490 1 6 . 1 1 30 30 GLU CA C 30 55.954 55.954 55.113 0.841 18504 2491 1 6 . 1 1 30 30 GLU CB C 30 31.054 31.054 30.894 0.160 18504 2492 1 6 . 1 1 30 30 GLU H H 30 9.188 9.188 8.389 0.799 18504 2493 1 6 . 1 1 31 31 LEU N N 31 130.328 130.328 124.356 5.972 18504 2494 1 6 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.560 -0.267 18504 2495 1 6 . 1 1 31 31 LEU C C 31 171.909 171.909 176.007 -4.098 18504 2496 1 6 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.748 -0.467 18504 2497 1 6 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.523 -2.074 18504 2498 1 6 . 1 1 31 31 LEU H H 31 9.016 9.016 8.392 0.624 18504 2499 1 6 . 1 1 32 32 ILE N N 32 120.632 120.632 121.726 -1.094 18504 2500 1 6 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.431 1.097 18504 2501 1 6 . 1 1 32 32 ILE C C 32 175.735 175.735 175.547 0.188 18504 2502 1 6 . 1 1 32 32 ILE CA C 32 59.224 59.224 58.653 0.571 18504 2503 1 6 . 1 1 32 32 ILE CB C 32 36.625 36.625 36.525 0.100 18504 2504 1 6 . 1 1 32 32 ILE H H 32 8.738 8.738 8.225 0.513 18504 2505 1 6 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.350 -0.353 18504 2506 1 6 . 1 1 33 33 LEU C C 33 180.030 180.030 176.142 3.888 18504 2507 1 6 . 1 1 33 33 LEU CA C 33 58.333 58.333 54.321 4.013 18504 2508 1 6 . 1 1 33 33 LEU CB C 33 41.433 41.433 42.263 -0.830 18504 2509 1 6 . 1 1 34 34 VAL N N 34 124.025 124.025 116.453 7.572 18504 2510 1 6 . 1 1 34 34 VAL HA H 34 3.617 3.617 3.616 0.001 18504 2511 1 6 . 1 1 34 34 VAL C C 34 178.222 178.222 175.476 2.746 18504 2512 1 6 . 1 1 34 34 VAL CA C 34 66.122 66.122 63.329 2.793 18504 2513 1 6 . 1 1 34 34 VAL CB C 34 37.942 37.942 32.002 5.940 18504 2514 1 6 . 1 1 34 34 VAL H H 34 7.751 7.751 8.243 -0.492 18504 2515 1 6 . 1 1 35 35 LEU N N 35 120.009 120.009 128.215 -8.206 18504 2516 1 6 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.420 -0.144 18504 2517 1 6 . 1 1 35 35 LEU C C 35 175.855 175.855 177.807 -1.952 18504 2518 1 6 . 1 1 35 35 LEU CA C 35 57.375 57.375 57.175 0.200 18504 2519 1 6 . 1 1 35 35 LEU CB C 35 43.089 43.089 42.197 0.892 18504 2520 1 6 . 1 1 35 35 LEU H H 35 7.532 7.532 8.308 -0.776 18504 2521 1 6 . 1 1 36 36 LYS N N 36 115.805 115.805 116.710 -0.905 18504 2522 1 6 . 1 1 36 36 LYS C C 36 178.903 178.903 176.822 2.081 18504 2523 1 6 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.559 1.788 18504 2524 1 6 . 1 1 36 36 LYS CB C 36 32.903 32.903 34.242 -1.339 18504 2525 1 6 . 1 1 36 36 LYS H H 36 7.501 7.501 8.212 -0.711 18504 2526 1 6 . 1 1 37 37 GLY N N 37 110.626 110.626 107.835 2.791 18504 2527 1 6 . 1 1 37 37 GLY C C 37 174.865 174.865 174.305 0.560 18504 2528 1 6 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.169 2.297 18504 2529 1 6 . 1 1 37 37 GLY H H 37 8.811 8.811 7.901 0.910 18504 2530 1 6 . 1 1 38 38 GLU N N 38 116.098 116.098 121.604 -5.506 18504 2531 1 6 . 1 1 38 38 GLU HA H 38 4.302 4.302 3.946 0.356 18504 2532 1 6 . 1 1 38 38 GLU C C 38 176.681 176.681 176.086 0.595 18504 2533 1 6 . 1 1 38 38 GLU CA C 38 57.184 57.184 58.164 -0.980 18504 2534 1 6 . 1 1 38 38 GLU CB C 38 28.829 28.829 28.842 -0.013 18504 2535 1 6 . 1 1 38 38 GLU H H 38 8.763 8.763 8.540 0.223 18504 2536 1 6 . 1 1 39 39 LEU N N 39 119.439 119.439 124.060 -4.621 18504 2537 1 6 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.351 -0.085 18504 2538 1 6 . 1 1 39 39 LEU C C 39 176.016 176.016 175.556 0.460 18504 2539 1 6 . 1 1 39 39 LEU CA C 39 54.725 54.725 54.798 -0.073 18504 2540 1 6 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.533 1.069 18504 2541 1 6 . 1 1 39 39 LEU H H 39 7.167 7.167 8.182 -1.015 18504 2542 1 6 . 1 1 40 40 ASP N N 40 120.105 120.105 122.594 -2.489 18504 2543 1 6 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.728 -0.000 18504 2544 1 6 . 1 1 40 40 ASP C C 40 178.198 178.198 176.101 2.097 18504 2545 1 6 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.023 -1.833 18504 2546 1 6 . 1 1 40 40 ASP CB C 40 40.557 40.557 40.783 -0.226 18504 2547 1 6 . 1 1 40 40 ASP H H 40 8.596 8.596 8.548 0.048 18504 2548 1 6 . 1 1 41 41 LEU N N 41 125.023 125.023 119.642 5.381 18504 2549 1 6 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.640 -0.887 18504 2550 1 6 . 1 1 41 41 LEU C C 41 175.113 175.113 177.311 -2.198 18504 2551 1 6 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.988 0.679 18504 2552 1 6 . 1 1 41 41 LEU CB C 41 39.849 39.849 42.566 -2.717 18504 2553 1 6 . 1 1 41 41 LEU H H 41 9.029 9.029 8.196 0.833 18504 2554 1 6 . 1 1 42 42 HIS N N 42 113.184 113.184 117.630 -4.446 18504 2555 1 6 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.672 -0.148 18504 2556 1 6 . 1 1 42 42 HIS C C 42 175.855 175.855 175.424 0.431 18504 2557 1 6 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.819 -0.903 18504 2558 1 6 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.559 -0.422 18504 2559 1 6 . 1 1 42 42 HIS H H 42 8.065 8.065 8.172 -0.107 18504 2560 1 6 . 1 1 43 43 SER N N 43 116.013 116.013 114.364 1.649 18504 2561 1 6 . 1 1 43 43 SER HA H 43 4.524 4.524 4.271 0.253 18504 2562 1 6 . 1 1 43 43 SER C C 43 174.426 174.426 174.858 -0.432 18504 2563 1 6 . 1 1 43 43 SER CA C 43 58.206 58.206 59.270 -1.064 18504 2564 1 6 . 1 1 43 43 SER CB C 43 65.517 65.517 62.312 3.205 18504 2565 1 6 . 1 1 43 43 SER H H 43 7.511 7.511 8.497 -0.986 18504 2566 1 6 . 1 1 44 44 LYS N N 44 123.332 123.332 118.041 5.291 18504 2567 1 6 . 1 1 44 44 LYS C C 44 177.791 177.791 177.963 -0.172 18504 2568 1 6 . 1 1 44 44 LYS CA C 44 59.456 59.456 57.678 1.778 18504 2569 1 6 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.453 -2.281 18504 2570 1 6 . 1 1 44 44 LYS H H 44 8.846 8.846 8.214 0.632 18504 2571 1 6 . 1 1 45 45 ASN N N 45 118.501 118.501 117.780 0.721 18504 2572 1 6 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.359 0.111 18504 2573 1 6 . 1 1 45 45 ASN C C 45 177.817 177.817 177.295 0.522 18504 2574 1 6 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.765 0.163 18504 2575 1 6 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.148 0.256 18504 2576 1 6 . 1 1 45 45 ASN H H 45 8.545 8.545 8.317 0.228 18504 2577 1 6 . 1 1 46 46 MET N N 46 116.171 116.171 117.824 -1.653 18504 2578 1 6 . 1 1 46 46 MET HA H 46 4.471 4.471 4.306 0.165 18504 2579 1 6 . 1 1 46 46 MET C C 46 178.964 178.964 177.952 1.012 18504 2580 1 6 . 1 1 46 46 MET CA C 46 55.467 55.467 59.296 -3.829 18504 2581 1 6 . 1 1 46 46 MET CB C 46 29.707 29.707 32.086 -2.379 18504 2582 1 6 . 1 1 46 46 MET H H 46 7.379 7.379 8.257 -0.878 18504 2583 1 6 . 1 1 47 47 LYS N N 47 121.054 121.054 118.262 2.792 18504 2584 1 6 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.925 -0.041 18504 2585 1 6 . 1 1 47 47 LYS C C 47 179.310 179.310 178.911 0.399 18504 2586 1 6 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.609 0.730 18504 2587 1 6 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.638 0.112 18504 2588 1 6 . 1 1 47 47 LYS H H 47 8.450 8.450 8.011 0.439 18504 2589 1 6 . 1 1 48 48 ASN N N 48 117.137 117.137 118.347 -1.210 18504 2590 1 6 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.448 -0.567 18504 2591 1 6 . 1 1 48 48 ASN C C 48 177.733 177.733 177.294 0.439 18504 2592 1 6 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.350 0.190 18504 2593 1 6 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.620 -0.287 18504 2594 1 6 . 1 1 48 48 ASN H H 48 7.896 7.896 7.992 -0.096 18504 2595 1 6 . 1 1 49 49 VAL N N 49 121.225 121.225 120.644 0.581 18504 2596 1 6 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.603 0.076 18504 2597 1 6 . 1 1 49 49 VAL C C 49 176.675 176.675 178.148 -1.473 18504 2598 1 6 . 1 1 49 49 VAL CA C 49 66.434 66.434 65.519 0.915 18504 2599 1 6 . 1 1 49 49 VAL CB C 49 32.069 32.069 30.439 1.631 18504 2600 1 6 . 1 1 49 49 VAL H H 49 7.869 7.869 7.475 0.394 18504 2601 1 6 . 1 1 50 50 ILE N N 50 120.523 120.523 119.833 0.690 18504 2602 1 6 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.545 0.705 18504 2603 1 6 . 1 1 50 50 ILE C C 50 179.831 179.831 178.693 1.138 18504 2604 1 6 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.188 -6.248 18504 2605 1 6 . 1 1 50 50 ILE CB C 50 40.112 40.112 36.123 3.990 18504 2606 1 6 . 1 1 50 50 ILE H H 50 8.093 8.093 7.690 0.403 18504 2607 1 6 . 1 1 51 51 ASN N N 51 117.280 117.280 118.929 -1.649 18504 2608 1 6 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.499 -0.480 18504 2609 1 6 . 1 1 51 51 ASN C C 51 178.496 178.496 177.737 0.759 18504 2610 1 6 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.149 0.463 18504 2611 1 6 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.263 0.092 18504 2612 1 6 . 1 1 51 51 ASN H H 51 7.953 7.953 7.763 0.190 18504 2613 1 6 . 1 1 52 52 ASN N N 52 118.893 118.893 119.995 -1.102 18504 2614 1 6 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.470 -0.055 18504 2615 1 6 . 1 1 52 52 ASN C C 52 176.434 176.434 177.410 -0.976 18504 2616 1 6 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.345 0.425 18504 2617 1 6 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.257 0.096 18504 2618 1 6 . 1 1 52 52 ASN H H 52 8.347 8.347 8.484 -0.137 18504 2619 1 6 . 1 1 53 53 ALA N N 53 122.291 122.291 121.842 0.449 18504 2620 1 6 . 1 1 53 53 ALA HA H 53 4.514 4.514 3.992 0.522 18504 2621 1 6 . 1 1 53 53 ALA C C 53 180.689 180.689 179.273 1.416 18504 2622 1 6 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.175 -0.274 18504 2623 1 6 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.228 -0.327 18504 2624 1 6 . 1 1 53 53 ALA H H 53 7.706 7.706 8.695 -0.989 18504 2625 1 6 . 1 1 54 54 LYS N N 54 119.091 119.091 118.385 0.706 18504 2626 1 6 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.116 -0.279 18504 2627 1 6 . 1 1 54 54 LYS C C 54 178.066 178.066 178.529 -0.463 18504 2628 1 6 . 1 1 54 54 LYS CA C 54 60.306 60.306 58.953 1.353 18504 2629 1 6 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.320 -0.232 18504 2630 1 6 . 1 1 54 54 LYS H H 54 8.375 8.375 7.517 0.858 18504 2631 1 6 . 1 1 55 55 LYS N N 55 119.370 119.370 119.230 0.140 18504 2632 1 6 . 1 1 55 55 LYS HA H 55 3.873 3.873 4.023 -0.150 18504 2633 1 6 . 1 1 55 55 LYS C C 55 179.819 179.819 179.482 0.337 18504 2634 1 6 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.608 0.679 18504 2635 1 6 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.206 -0.216 18504 2636 1 6 . 1 1 55 55 LYS H H 55 8.259 8.259 8.083 0.176 18504 2637 1 6 . 1 1 56 56 ASN N N 56 119.303 119.303 118.195 1.108 18504 2638 1 6 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.287 0.122 18504 2639 1 6 . 1 1 56 56 ASN C C 56 178.899 178.899 176.866 2.033 18504 2640 1 6 . 1 1 56 56 ASN CA C 56 55.740 55.740 56.178 -0.438 18504 2641 1 6 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.763 -1.660 18504 2642 1 6 . 1 1 56 56 ASN H H 56 8.235 8.235 8.169 0.066 18504 2643 1 6 . 1 1 57 57 LEU N N 57 123.252 123.252 120.494 2.758 18504 2644 1 6 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.325 0.357 18504 2645 1 6 . 1 1 57 57 LEU C C 57 178.541 178.541 179.188 -0.647 18504 2646 1 6 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.600 -0.401 18504 2647 1 6 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.213 0.413 18504 2648 1 6 . 1 1 57 57 LEU H H 57 8.210 8.210 7.766 0.444 18504 2649 1 6 . 1 1 58 58 GLU N N 58 118.795 118.795 117.118 1.677 18504 2650 1 6 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.947 0.056 18504 2651 1 6 . 1 1 58 58 GLU C C 58 177.333 177.333 178.876 -1.543 18504 2652 1 6 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.134 2.011 18504 2653 1 6 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.709 1.603 18504 2654 1 6 . 1 1 58 58 GLU H H 58 8.846 8.846 8.124 0.722 18504 2655 1 6 . 1 1 59 59 LYS N N 59 118.325 118.325 120.031 -1.706 18504 2656 1 6 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.959 0.516 18504 2657 1 6 . 1 1 59 59 LYS C C 59 178.428 178.428 178.870 -0.442 18504 2658 1 6 . 1 1 59 59 LYS CA C 59 60.145 60.145 58.995 1.150 18504 2659 1 6 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.911 0.777 18504 2660 1 6 . 1 1 59 59 LYS H H 59 8.373 8.373 7.366 1.007 18504 2661 1 6 . 1 1 60 60 TYR N N 60 119.345 119.345 117.360 1.985 18504 2662 1 6 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.448 -0.121 18504 2663 1 6 . 1 1 60 60 TYR C C 60 178.899 178.899 178.095 0.804 18504 2664 1 6 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.910 2.484 18504 2665 1 6 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.282 0.012 18504 2666 1 6 . 1 1 60 60 TYR H H 60 7.532 7.532 7.286 0.246 18504 2667 1 6 . 1 1 61 61 PHE N N 61 118.931 118.931 120.627 -1.696 18504 2668 1 6 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.627 -0.299 18504 2669 1 6 . 1 1 61 61 PHE C C 61 178.450 178.450 177.076 1.374 18504 2670 1 6 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.569 1.825 18504 2671 1 6 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.921 -1.998 18504 2672 1 6 . 1 1 61 61 PHE H H 61 8.607 8.607 8.028 0.579 18504 2673 1 6 . 1 1 62 62 LYS N N 62 118.337 118.337 119.165 -0.828 18504 2674 1 6 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.196 0.106 18504 2675 1 6 . 1 1 62 62 LYS C C 62 178.333 178.333 177.910 0.423 18504 2676 1 6 . 1 1 62 62 LYS CA C 62 59.311 59.311 59.012 0.299 18504 2677 1 6 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.655 0.194 18504 2678 1 6 . 1 1 62 62 LYS H H 62 8.615 8.615 8.601 0.014 18504 2679 1 6 . 1 1 63 63 GLU N N 63 116.360 116.360 117.318 -0.958 18504 2680 1 6 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.247 -0.321 18504 2681 1 6 . 1 1 63 63 GLU C C 63 177.317 177.317 177.966 -0.649 18504 2682 1 6 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.120 0.196 18504 2683 1 6 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.726 -1.370 18504 2684 1 6 . 1 1 63 63 GLU H H 63 7.547 7.547 7.898 -0.351 18504 2685 1 6 . 1 1 64 64 HIS N N 64 113.580 113.580 118.082 -4.502 18504 2686 1 6 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.684 -0.263 18504 2687 1 6 . 1 1 64 64 HIS C C 64 173.911 173.911 174.889 -0.978 18504 2688 1 6 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.435 2.647 18504 2689 1 6 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.210 1.625 18504 2690 1 6 . 1 1 64 64 HIS H H 64 7.013 7.013 7.893 -0.880 18504 2691 1 6 . 1 1 65 65 PHE N N 65 119.434 119.434 115.586 3.848 18504 2692 1 6 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.217 0.719 18504 2693 1 6 . 1 1 65 65 PHE C C 65 175.232 175.232 174.361 0.871 18504 2694 1 6 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.517 -2.295 18504 2695 1 6 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.602 2.760 18504 2696 1 6 . 1 1 65 65 PHE H H 65 8.340 8.340 8.428 -0.088 18504 2697 1 6 . 1 1 66 66 LYS N N 66 123.217 123.217 117.167 6.050 18504 2698 1 6 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.548 0.740 18504 2699 1 6 . 1 1 66 66 LYS C C 66 177.685 177.685 173.706 3.979 18504 2700 1 6 . 1 1 66 66 LYS CA C 66 58.798 58.798 55.166 3.632 18504 2701 1 6 . 1 1 66 66 LYS CB C 66 32.473 32.473 35.548 -3.075 18504 2702 1 6 . 1 1 66 66 LYS H H 66 8.590 8.590 7.334 1.256 18504 2703 1 6 . 1 1 67 67 GLU N N 67 117.085 117.085 119.555 -2.470 18504 2704 1 6 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.474 -0.113 18504 2705 1 6 . 1 1 67 67 GLU C C 67 175.770 175.770 174.147 1.623 18504 2706 1 6 . 1 1 67 67 GLU CA C 67 56.364 56.364 55.365 0.999 18504 2707 1 6 . 1 1 67 67 GLU CB C 67 29.103 29.103 31.283 -2.180 18504 2708 1 6 . 1 1 67 67 GLU H H 67 8.969 8.969 8.002 0.967 18504 2709 1 6 . 1 1 68 68 PHE N N 68 121.127 121.127 118.904 2.223 18504 2710 1 6 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.645 -0.373 18504 2711 1 6 . 1 1 68 68 PHE C C 68 173.621 173.621 173.508 0.113 18504 2712 1 6 . 1 1 68 68 PHE CA C 68 59.096 59.096 56.829 2.267 18504 2713 1 6 . 1 1 68 68 PHE CB C 68 40.772 40.772 40.651 0.120 18504 2714 1 6 . 1 1 68 68 PHE H H 68 7.752 7.752 8.307 -0.555 18504 2715 1 6 . 1 1 69 69 ASP N N 69 125.720 125.720 116.401 9.319 18504 2716 1 6 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.694 -0.091 18504 2717 1 6 . 1 1 69 69 ASP C C 69 173.387 173.387 174.685 -1.298 18504 2718 1 6 . 1 1 69 69 ASP CA C 69 54.881 54.881 53.209 1.672 18504 2719 1 6 . 1 1 69 69 ASP CB C 69 41.806 41.806 42.924 -1.118 18504 2720 1 6 . 1 1 69 69 ASP H H 69 7.767 7.767 7.761 0.006 18504 2721 1 6 . 1 1 70 70 LYS N N 70 115.004 115.004 119.459 -4.455 18504 2722 1 6 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.758 -0.309 18504 2723 1 6 . 1 1 70 70 LYS C C 70 175.841 175.841 175.240 0.601 18504 2724 1 6 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.297 1.189 18504 2725 1 6 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.981 -1.200 18504 2726 1 6 . 1 1 70 70 LYS H H 70 7.305 7.305 8.302 -0.997 18504 2727 1 6 . 1 1 71 71 ILE N N 71 122.809 122.809 119.201 3.608 18504 2728 1 6 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.326 0.383 18504 2729 1 6 . 1 1 71 71 ILE C C 71 175.120 175.120 174.669 0.451 18504 2730 1 6 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.664 -1.412 18504 2731 1 6 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.858 -1.556 18504 2732 1 6 . 1 1 71 71 ILE H H 71 9.522 9.522 8.378 1.144 18504 2733 1 6 . 1 1 72 72 SER N N 72 121.741 121.741 120.100 1.641 18504 2734 1 6 . 1 1 72 72 SER HA H 72 4.920 4.920 5.066 -0.146 18504 2735 1 6 . 1 1 72 72 SER C C 72 172.157 172.157 172.683 -0.526 18504 2736 1 6 . 1 1 72 72 SER CA C 72 57.730 57.730 56.806 0.923 18504 2737 1 6 . 1 1 72 72 SER CB C 72 65.634 65.634 65.479 0.155 18504 2738 1 6 . 1 1 72 72 SER H H 72 8.760 8.760 8.422 0.338 18504 2739 1 6 . 1 1 73 73 TYR N N 73 118.245 118.245 117.506 0.739 18504 2740 1 6 . 1 1 73 73 TYR HA H 73 5.721 5.721 5.091 0.630 18504 2741 1 6 . 1 1 73 73 TYR C C 73 173.231 173.231 173.233 -0.002 18504 2742 1 6 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.176 -0.946 18504 2743 1 6 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.953 1.429 18504 2744 1 6 . 1 1 73 73 TYR H H 73 8.275 8.275 8.417 -0.142 18504 2745 1 6 . 1 1 74 74 ASP N N 74 120.379 120.379 119.369 1.010 18504 2746 1 6 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.672 0.383 18504 2747 1 6 . 1 1 74 74 ASP C C 74 174.827 174.827 173.527 1.300 18504 2748 1 6 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.109 0.492 18504 2749 1 6 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.697 0.943 18504 2750 1 6 . 1 1 74 74 ASP H H 74 9.332 9.332 8.729 0.603 18504 2751 1 6 . 1 1 75 75 ILE HA H 75 4.584 4.584 5.097 -0.513 18504 2752 1 6 . 1 1 75 75 ILE C C 75 177.411 177.411 173.832 3.579 18504 2753 1 6 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.467 -0.258 18504 2754 1 6 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.884 -0.116 18504 2755 1 6 . 1 1 75 75 ILE H H 75 7.501 7.501 8.346 -0.845 18504 2756 1 6 . 1 1 76 76 SER N N 76 117.836 117.836 122.780 -4.944 18504 2757 1 6 . 1 1 76 76 SER HA H 76 5.450 5.450 4.892 0.558 18504 2758 1 6 . 1 1 76 76 SER C C 76 173.767 173.767 172.338 1.429 18504 2759 1 6 . 1 1 76 76 SER CA C 76 57.758 57.758 57.872 -0.114 18504 2760 1 6 . 1 1 76 76 SER CB C 76 64.462 64.462 65.238 -0.776 18504 2761 1 6 . 1 1 76 76 SER H H 76 9.050 9.050 8.890 0.160 18504 2762 1 6 . 1 1 77 77 THR N N 77 117.435 117.435 113.462 3.973 18504 2763 1 6 . 1 1 77 77 THR HA H 77 4.959 4.959 4.179 0.780 18504 2764 1 6 . 1 1 77 77 THR C C 77 172.636 172.636 173.710 -1.074 18504 2765 1 6 . 1 1 77 77 THR CA C 77 58.870 58.870 62.856 -3.986 18504 2766 1 6 . 1 1 77 77 THR CB C 77 69.935 69.935 68.135 1.800 18504 2767 1 6 . 1 1 77 77 THR H H 77 8.601 8.601 8.242 0.359 18504 2768 1 6 . 1 1 78 78 PRO C C 78 179.328 179.328 177.339 1.989 18504 2769 1 6 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.386 -0.903 18504 2770 1 6 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.559 0.602 18504 2771 1 6 . 1 1 79 79 ILE N N 79 120.707 120.707 112.228 8.479 18504 2772 1 6 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.359 0.262 18504 2773 1 6 . 1 1 79 79 ILE C C 79 177.212 177.212 174.688 2.524 18504 2774 1 6 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.415 5.506 18504 2775 1 6 . 1 1 79 79 ILE CB C 79 37.468 37.468 36.725 0.743 18504 2776 1 6 . 1 1 79 79 ILE H H 79 8.227 8.227 7.491 0.736 18504 2777 1 6 . 1 1 80 80 ASN N N 80 118.168 118.168 118.164 0.004 18504 2778 1 6 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.369 0.061 18504 2779 1 6 . 1 1 80 80 ASN C C 80 178.172 178.172 173.599 4.573 18504 2780 1 6 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.479 2.284 18504 2781 1 6 . 1 1 80 80 ASN CB C 80 38.087 38.087 38.027 0.060 18504 2782 1 6 . 1 1 80 80 ASN H H 80 8.466 8.466 7.678 0.788 18504 2783 1 6 . 1 1 81 81 PHE N N 81 129.059 129.059 123.249 5.810 18504 2784 1 6 . 1 1 81 81 PHE C C 81 174.016 174.016 173.665 0.351 18504 2785 1 6 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.844 -2.026 18504 2786 1 6 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.480 -2.707 18504 2787 1 6 . 1 1 81 81 PHE H H 81 9.152 9.152 8.246 0.906 18504 2788 1 6 . 1 1 82 82 LEU N N 82 124.640 124.640 127.443 -2.803 18504 2789 1 6 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.596 0.397 18504 2790 1 6 . 1 1 82 82 LEU C C 82 173.695 173.695 175.502 -1.807 18504 2791 1 6 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.633 0.117 18504 2792 1 6 . 1 1 82 82 LEU CB C 82 44.936 44.936 41.082 3.854 18504 2793 1 6 . 1 1 82 82 LEU H H 82 9.147 9.147 7.991 1.156 18504 2794 1 6 . 1 1 83 83 CYS N N 83 126.066 126.066 124.177 1.889 18504 2795 1 6 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.623 0.615 18504 2796 1 6 . 1 1 83 83 CYS C C 83 173.733 173.733 174.199 -0.466 18504 2797 1 6 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.739 -1.378 18504 2798 1 6 . 1 1 83 83 CYS CB C 83 28.374 28.374 27.441 0.933 18504 2799 1 6 . 1 1 83 83 CYS H H 83 9.065 9.065 9.067 -0.002 18504 2800 1 6 . 1 1 84 84 ILE N N 84 126.110 126.110 126.947 -0.837 18504 2801 1 6 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.236 0.123 18504 2802 1 6 . 1 1 84 84 ILE C C 84 174.745 174.745 174.138 0.607 18504 2803 1 6 . 1 1 84 84 ILE CA C 84 60.519 60.519 61.053 -0.534 18504 2804 1 6 . 1 1 84 84 ILE CB C 84 40.358 40.358 38.306 2.052 18504 2805 1 6 . 1 1 84 84 ILE H H 84 9.426 9.426 9.104 0.322 18504 2806 1 6 . 1 1 85 85 PHE N N 85 126.315 126.315 127.594 -1.279 18504 2807 1 6 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.889 0.130 18504 2808 1 6 . 1 1 85 85 PHE C C 85 175.358 175.358 174.858 0.500 18504 2809 1 6 . 1 1 85 85 PHE CA C 85 57.731 57.731 57.004 0.727 18504 2810 1 6 . 1 1 85 85 PHE CB C 85 38.742 38.742 41.032 -2.289 18504 2811 1 6 . 1 1 85 85 PHE H H 85 8.337 8.337 8.281 0.056 18504 2812 1 6 . 1 1 86 86 ILE N N 86 126.561 126.561 125.868 0.693 18504 2813 1 6 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.756 0.147 18504 2814 1 6 . 1 1 86 86 ILE C C 86 173.967 173.967 173.482 0.485 18504 2815 1 6 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.230 -1.845 18504 2816 1 6 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.394 -1.583 18504 2817 1 6 . 1 1 86 86 ILE H H 86 9.161 9.161 8.979 0.182 18504 2818 1 6 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.874 0.148 18504 2819 1 6 . 1 1 87 87 PRO C C 87 177.938 177.938 175.655 2.283 18504 2820 1 6 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.196 0.312 18504 2821 1 6 . 1 1 87 87 PRO CB C 87 32.534 32.534 32.295 0.239 18504 2822 1 6 . 1 1 88 88 THR N N 88 113.282 113.282 117.269 -3.987 18504 2823 1 6 . 1 1 88 88 THR HA H 88 4.486 4.486 4.744 -0.258 18504 2824 1 6 . 1 1 88 88 THR C C 88 176.082 176.082 174.233 1.849 18504 2825 1 6 . 1 1 88 88 THR CA C 88 60.306 60.306 59.646 0.660 18504 2826 1 6 . 1 1 88 88 THR CB C 88 66.727 66.727 71.351 -4.624 18504 2827 1 6 . 1 1 88 88 THR H H 88 8.003 8.003 8.110 -0.107 18504 2828 1 6 . 1 1 89 89 LEU N N 89 122.317 122.317 123.831 -1.514 18504 2829 1 6 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.582 -0.573 18504 2830 1 6 . 1 1 89 89 LEU C C 89 175.776 175.776 176.819 -1.043 18504 2831 1 6 . 1 1 89 89 LEU CA C 89 53.969 53.969 55.112 -1.143 18504 2832 1 6 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.691 -0.695 18504 2833 1 6 . 1 1 89 89 LEU H H 89 7.822 7.822 9.145 -1.323 18504 2834 1 6 . 1 1 90 90 PHE N N 90 114.801 114.801 118.557 -3.756 18504 2835 1 6 . 1 1 90 90 PHE HA H 90 5.560 5.560 3.994 1.566 18504 2836 1 6 . 1 1 90 90 PHE C C 90 175.869 175.869 173.789 2.080 18504 2837 1 6 . 1 1 90 90 PHE CA C 90 55.096 55.096 59.150 -4.054 18504 2838 1 6 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.654 1.453 18504 2839 1 6 . 1 1 90 90 PHE H H 90 7.110 7.110 7.723 -0.613 18504 2840 1 6 . 1 1 91 91 ASP N N 91 127.244 127.244 123.650 3.594 18504 2841 1 6 . 1 1 91 91 ASP HA H 91 4.557 4.557 3.950 0.607 18504 2842 1 6 . 1 1 91 91 ASP C C 91 175.684 175.684 177.180 -1.496 18504 2843 1 6 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.568 -1.599 18504 2844 1 6 . 1 1 91 91 ASP CB C 91 42.216 42.216 40.866 1.350 18504 2845 1 6 . 1 1 91 91 ASP H H 91 9.852 9.852 8.205 1.647 18504 2846 1 6 . 1 1 92 92 MET N N 92 113.730 113.730 120.614 -6.884 18504 2847 1 6 . 1 1 92 92 MET HA H 92 4.278 4.278 4.120 0.158 18504 2848 1 6 . 1 1 92 92 MET C C 92 177.571 177.571 177.076 0.495 18504 2849 1 6 . 1 1 92 92 MET CA C 92 58.815 58.815 56.778 2.037 18504 2850 1 6 . 1 1 92 92 MET CB C 92 32.010 32.010 32.344 -0.334 18504 2851 1 6 . 1 1 92 92 MET H H 92 8.574 8.574 8.362 0.212 18504 2852 1 6 . 1 1 93 93 ASN N N 93 115.175 115.175 115.863 -0.688 18504 2853 1 6 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.419 0.330 18504 2854 1 6 . 1 1 93 93 ASN C C 93 176.300 176.300 175.537 0.763 18504 2855 1 6 . 1 1 93 93 ASN CA C 93 55.193 55.193 55.691 -0.498 18504 2856 1 6 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.680 0.746 18504 2857 1 6 . 1 1 93 93 ASN H H 93 8.576 8.576 8.266 0.310 18504 2858 1 6 . 1 1 94 94 ASN N N 94 119.005 119.005 114.992 4.013 18504 2859 1 6 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.478 0.713 18504 2860 1 6 . 1 1 94 94 ASN C C 94 177.230 177.230 174.595 2.635 18504 2861 1 6 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.899 -2.268 18504 2862 1 6 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.349 0.744 18504 2863 1 6 . 1 1 94 94 ASN H H 94 8.049 8.049 7.941 0.108 18504 2864 1 6 . 1 1 95 95 MET N N 95 117.771 117.771 114.646 3.125 18504 2865 1 6 . 1 1 95 95 MET HA H 95 4.048 4.048 4.549 -0.501 18504 2866 1 6 . 1 1 95 95 MET C C 95 178.005 178.005 174.795 3.210 18504 2867 1 6 . 1 1 95 95 MET CA C 95 58.275 58.275 55.307 2.968 18504 2868 1 6 . 1 1 95 95 MET CB C 95 32.327 32.327 33.649 -1.322 18504 2869 1 6 . 1 1 95 95 MET H H 95 7.489 7.489 7.847 -0.358 18504 2870 1 6 . 1 1 96 96 ASP N N 96 115.629 115.629 122.608 -6.979 18504 2871 1 6 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.813 -0.210 18504 2872 1 6 . 1 1 96 96 ASP C C 96 175.593 175.593 175.794 -0.201 18504 2873 1 6 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.442 0.498 18504 2874 1 6 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.556 -2.111 18504 2875 1 6 . 1 1 96 96 ASP H H 96 7.777 7.777 8.414 -0.637 18504 2876 1 6 . 1 1 97 97 LEU N N 97 116.343 116.343 128.669 -12.326 18504 2877 1 6 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.691 -0.074 18504 2878 1 6 . 1 1 97 97 LEU C C 97 174.835 174.835 176.707 -1.872 18504 2879 1 6 . 1 1 97 97 LEU CA C 97 54.433 54.433 54.178 0.255 18504 2880 1 6 . 1 1 97 97 LEU CB C 97 39.082 39.082 41.827 -2.745 18504 2881 1 6 . 1 1 97 97 LEU H H 97 8.027 8.027 8.853 -0.826 18504 2882 1 6 . 1 1 98 98 LEU N N 98 118.769 118.769 125.476 -6.707 18504 2883 1 6 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.143 -0.779 18504 2884 1 6 . 1 1 98 98 LEU C C 98 177.586 177.586 178.082 -0.496 18504 2885 1 6 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.713 0.506 18504 2886 1 6 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.800 -2.700 18504 2887 1 6 . 1 1 98 98 LEU H H 98 7.798 7.798 8.758 -0.960 18504 2888 1 6 . 1 1 99 99 LYS N N 99 117.567 117.567 118.978 -1.411 18504 2889 1 6 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.927 -0.511 18504 2890 1 6 . 1 1 99 99 LYS C C 99 177.639 177.639 178.992 -1.353 18504 2891 1 6 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.171 1.662 18504 2892 1 6 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.799 0.245 18504 2893 1 6 . 1 1 99 99 LYS H H 99 7.603 7.603 8.467 -0.864 18504 2894 1 6 . 1 1 100 100 GLN N N 100 114.564 114.564 118.753 -4.189 18504 2895 1 6 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.089 -0.277 18504 2896 1 6 . 1 1 100 100 GLN C C 100 178.165 178.165 177.994 0.171 18504 2897 1 6 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.836 -0.052 18504 2898 1 6 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.496 -1.013 18504 2899 1 6 . 1 1 100 100 GLN H H 100 7.625 7.625 7.617 0.008 18504 2900 1 6 . 1 1 101 101 ALA N N 101 121.499 121.499 123.589 -2.090 18504 2901 1 6 . 1 1 101 101 ALA HA H 101 3.288 3.288 3.957 -0.669 18504 2902 1 6 . 1 1 101 101 ALA C C 101 178.865 178.865 179.383 -0.518 18504 2903 1 6 . 1 1 101 101 ALA CA C 101 54.964 54.964 55.179 -0.215 18504 2904 1 6 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.265 -0.404 18504 2905 1 6 . 1 1 101 101 ALA H H 101 7.355 7.355 7.615 -0.260 18504 2906 1 6 . 1 1 102 102 LEU N N 102 115.061 115.061 118.562 -3.501 18504 2907 1 6 . 1 1 102 102 LEU HA H 102 4.766 4.766 3.927 0.839 18504 2908 1 6 . 1 1 102 102 LEU C C 102 179.324 179.324 178.999 0.325 18504 2909 1 6 . 1 1 102 102 LEU CA C 102 57.496 57.496 58.282 -0.786 18504 2910 1 6 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.894 -0.166 18504 2911 1 6 . 1 1 102 102 LEU H H 102 7.941 7.941 7.795 0.146 18504 2912 1 6 . 1 1 103 103 LEU N N 103 115.920 115.920 119.943 -4.023 18504 2913 1 6 . 1 1 103 103 LEU HA H 103 4.837 4.837 3.963 0.874 18504 2914 1 6 . 1 1 103 103 LEU C C 103 178.500 178.500 179.105 -0.605 18504 2915 1 6 . 1 1 103 103 LEU CA C 103 54.889 54.889 58.298 -3.409 18504 2916 1 6 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.854 1.912 18504 2917 1 6 . 1 1 103 103 LEU H H 103 8.266 8.266 7.653 0.613 18504 2918 1 6 . 1 1 105 105 LEU HA H 105 4.635 4.635 3.938 0.697 18504 2919 1 6 . 1 1 105 105 LEU C C 105 175.743 175.743 178.564 -2.821 18504 2920 1 6 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.456 -0.359 18504 2921 1 6 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.998 -2.220 18504 2922 1 6 . 1 1 106 106 HIS N N 106 122.167 122.167 118.776 3.391 18504 2923 1 6 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.129 0.137 18504 2924 1 6 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.978 -2.864 18504 2925 1 6 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.679 0.446 18504 2926 1 6 . 1 1 106 106 HIS H H 106 8.252 8.252 8.209 0.043 18504 2927 1 6 . 1 1 107 107 ASN C C 107 179.694 179.694 177.813 1.881 18504 2928 1 6 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.091 2.240 18504 2929 1 6 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.490 3.506 18504 2930 1 6 . 1 1 108 108 ASP N N 108 122.462 122.462 120.252 2.210 18504 2931 1 6 . 1 1 108 108 ASP C C 108 179.328 179.328 177.734 1.594 18504 2932 1 6 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.951 0.738 18504 2933 1 6 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.003 1.037 18504 2934 1 6 . 1 1 108 108 ASP H H 108 8.174 8.174 7.821 0.353 18504 2935 1 6 . 1 1 109 109 LEU N N 109 115.664 115.664 119.214 -3.550 18504 2936 1 6 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.157 0.695 18504 2937 1 6 . 1 1 109 109 LEU C C 109 178.510 178.510 177.675 0.835 18504 2938 1 6 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.113 -0.959 18504 2939 1 6 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.647 1.501 18504 2940 1 6 . 1 1 109 109 LEU H H 109 8.380 8.380 7.443 0.937 18504 2941 1 6 . 1 1 110 110 HIS N N 110 118.905 118.905 115.261 3.644 18504 2942 1 6 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.240 -0.330 18504 2943 1 6 . 1 1 110 110 HIS C C 110 176.152 176.152 176.981 -0.829 18504 2944 1 6 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.487 2.525 18504 2945 1 6 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.741 -1.629 18504 2946 1 6 . 1 1 110 110 HIS H H 110 8.518 8.518 8.369 0.149 18504 2947 1 6 . 1 1 111 111 GLU N N 111 117.923 117.923 118.375 -0.452 18504 2948 1 6 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.128 -0.397 18504 2949 1 6 . 1 1 111 111 GLU C C 111 176.596 176.596 176.769 -0.173 18504 2950 1 6 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.812 -0.418 18504 2951 1 6 . 1 1 111 111 GLU CB C 111 29.044 29.044 30.431 -1.387 18504 2952 1 6 . 1 1 111 111 GLU H H 111 8.018 8.018 7.929 0.089 18504 2953 1 6 . 1 1 112 112 TYR N N 112 114.607 114.607 114.495 0.112 18504 2954 1 6 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.376 0.061 18504 2955 1 6 . 1 1 112 112 TYR C C 112 174.448 174.448 175.665 -1.217 18504 2956 1 6 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.983 -1.210 18504 2957 1 6 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.556 -0.569 18504 2958 1 6 . 1 1 112 112 TYR H H 112 7.905 7.905 7.715 0.190 18504 2959 1 6 . 1 1 113 113 VAL N N 113 118.003 118.003 121.105 -3.102 18504 2960 1 6 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.684 0.422 18504 2961 1 6 . 1 1 113 113 VAL C C 113 175.134 175.134 174.497 0.637 18504 2962 1 6 . 1 1 113 113 VAL CA C 113 62.687 62.687 64.020 -1.333 18504 2963 1 6 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.286 2.942 18504 2964 1 6 . 1 1 113 113 VAL H H 113 6.976 6.976 8.339 -1.363 18504 2965 1 7 . 1 1 27 27 SER HA H 27 4.339 4.339 4.022 0.317 18504 2966 1 7 . 1 1 27 27 SER C C 27 175.743 175.743 173.845 1.898 18504 2967 1 7 . 1 1 27 27 SER CA C 27 60.497 60.497 60.863 -0.366 18504 2968 1 7 . 1 1 27 27 SER CB C 27 63.659 63.659 62.412 1.247 18504 2969 1 7 . 1 1 28 28 LYS N N 28 118.099 118.099 125.301 -7.202 18504 2970 1 7 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.290 0.928 18504 2971 1 7 . 1 1 28 28 LYS C C 28 175.699 175.699 175.181 0.518 18504 2972 1 7 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.497 0.048 18504 2973 1 7 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.129 1.784 18504 2974 1 7 . 1 1 28 28 LYS H H 28 7.785 7.785 8.171 -0.386 18504 2975 1 7 . 1 1 29 29 GLN N N 29 122.481 122.481 123.428 -0.947 18504 2976 1 7 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.487 0.251 18504 2977 1 7 . 1 1 29 29 GLN C C 29 174.277 174.277 173.644 0.633 18504 2978 1 7 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.119 1.406 18504 2979 1 7 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.297 -0.427 18504 2980 1 7 . 1 1 29 29 GLN H H 29 9.283 9.283 7.970 1.313 18504 2981 1 7 . 1 1 30 30 GLU N N 30 122.881 122.881 121.269 1.612 18504 2982 1 7 . 1 1 30 30 GLU HA H 30 4.276 4.276 5.203 -0.927 18504 2983 1 7 . 1 1 30 30 GLU C C 30 173.313 173.313 174.926 -1.613 18504 2984 1 7 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.587 1.367 18504 2985 1 7 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.612 -0.558 18504 2986 1 7 . 1 1 30 30 GLU H H 30 9.188 9.188 8.422 0.766 18504 2987 1 7 . 1 1 31 31 LEU N N 31 130.328 130.328 125.612 4.716 18504 2988 1 7 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.764 -0.471 18504 2989 1 7 . 1 1 31 31 LEU C C 31 171.909 171.909 176.315 -4.406 18504 2990 1 7 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.874 -0.593 18504 2991 1 7 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.136 -1.686 18504 2992 1 7 . 1 1 31 31 LEU H H 31 9.016 9.016 8.565 0.451 18504 2993 1 7 . 1 1 32 32 ILE N N 32 120.632 120.632 120.026 0.606 18504 2994 1 7 . 1 1 32 32 ILE HA H 32 5.528 5.528 5.261 0.267 18504 2995 1 7 . 1 1 32 32 ILE C C 32 175.735 175.735 175.286 0.449 18504 2996 1 7 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.209 -0.985 18504 2997 1 7 . 1 1 32 32 ILE CB C 32 36.625 36.625 39.351 -2.726 18504 2998 1 7 . 1 1 32 32 ILE H H 32 8.738 8.738 8.328 0.410 18504 2999 1 7 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.805 -0.808 18504 3000 1 7 . 1 1 33 33 LEU C C 33 180.030 180.030 175.159 4.871 18504 3001 1 7 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.912 4.421 18504 3002 1 7 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.847 -4.415 18504 3003 1 7 . 1 1 34 34 VAL N N 34 124.025 124.025 118.781 5.244 18504 3004 1 7 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.440 -0.823 18504 3005 1 7 . 1 1 34 34 VAL C C 34 178.222 178.222 174.531 3.691 18504 3006 1 7 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.780 4.342 18504 3007 1 7 . 1 1 34 34 VAL CB C 34 37.942 37.942 34.525 3.417 18504 3008 1 7 . 1 1 34 34 VAL H H 34 7.751 7.751 8.609 -0.858 18504 3009 1 7 . 1 1 35 35 LEU N N 35 120.009 120.009 126.956 -6.947 18504 3010 1 7 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.415 -0.139 18504 3011 1 7 . 1 1 35 35 LEU C C 35 175.855 175.855 176.944 -1.089 18504 3012 1 7 . 1 1 35 35 LEU CA C 35 57.375 57.375 55.308 2.067 18504 3013 1 7 . 1 1 35 35 LEU CB C 35 43.089 43.089 43.076 0.013 18504 3014 1 7 . 1 1 35 35 LEU H H 35 7.532 7.532 8.426 -0.894 18504 3015 1 7 . 1 1 36 36 LYS N N 36 115.805 115.805 120.947 -5.142 18504 3016 1 7 . 1 1 36 36 LYS C C 36 178.903 178.903 177.201 1.702 18504 3017 1 7 . 1 1 36 36 LYS CA C 36 58.347 58.347 57.474 0.873 18504 3018 1 7 . 1 1 36 36 LYS CB C 36 32.903 32.903 32.531 0.372 18504 3019 1 7 . 1 1 36 36 LYS H H 36 7.501 7.501 8.505 -1.004 18504 3020 1 7 . 1 1 37 37 GLY N N 37 110.626 110.626 106.275 4.351 18504 3021 1 7 . 1 1 37 37 GLY C C 37 174.865 174.865 173.532 1.333 18504 3022 1 7 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.458 3.008 18504 3023 1 7 . 1 1 37 37 GLY H H 37 8.811 8.811 8.076 0.735 18504 3024 1 7 . 1 1 38 38 GLU N N 38 116.098 116.098 119.894 -3.796 18504 3025 1 7 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.425 -0.123 18504 3026 1 7 . 1 1 38 38 GLU C C 38 176.681 176.681 176.470 0.211 18504 3027 1 7 . 1 1 38 38 GLU CA C 38 57.184 57.184 55.673 1.511 18504 3028 1 7 . 1 1 38 38 GLU CB C 38 28.829 28.829 29.294 -0.465 18504 3029 1 7 . 1 1 38 38 GLU H H 38 8.763 8.763 8.191 0.572 18504 3030 1 7 . 1 1 39 39 LEU N N 39 119.439 119.439 122.758 -3.319 18504 3031 1 7 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.005 0.261 18504 3032 1 7 . 1 1 39 39 LEU C C 39 176.016 176.016 176.022 -0.006 18504 3033 1 7 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.236 -0.511 18504 3034 1 7 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.890 0.712 18504 3035 1 7 . 1 1 39 39 LEU H H 39 7.167 7.167 8.454 -1.287 18504 3036 1 7 . 1 1 40 40 ASP N N 40 120.105 120.105 121.617 -1.512 18504 3037 1 7 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.799 -0.071 18504 3038 1 7 . 1 1 40 40 ASP C C 40 178.198 178.198 175.047 3.151 18504 3039 1 7 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.076 -1.886 18504 3040 1 7 . 1 1 40 40 ASP CB C 40 40.557 40.557 39.560 0.996 18504 3041 1 7 . 1 1 40 40 ASP H H 40 8.596 8.596 8.313 0.283 18504 3042 1 7 . 1 1 41 41 LEU N N 41 125.023 125.023 121.810 3.213 18504 3043 1 7 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.647 -0.894 18504 3044 1 7 . 1 1 41 41 LEU C C 41 175.113 175.113 176.208 -1.095 18504 3045 1 7 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.189 1.478 18504 3046 1 7 . 1 1 41 41 LEU CB C 41 39.849 39.849 45.011 -5.162 18504 3047 1 7 . 1 1 41 41 LEU H H 41 9.029 9.029 7.464 1.565 18504 3048 1 7 . 1 1 42 42 HIS N N 42 113.184 113.184 122.891 -9.707 18504 3049 1 7 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.669 -0.145 18504 3050 1 7 . 1 1 42 42 HIS C C 42 175.855 175.855 175.720 0.135 18504 3051 1 7 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.039 -0.123 18504 3052 1 7 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.493 -0.356 18504 3053 1 7 . 1 1 42 42 HIS H H 42 8.065 8.065 8.744 -0.679 18504 3054 1 7 . 1 1 43 43 SER N N 43 116.013 116.013 116.729 -0.716 18504 3055 1 7 . 1 1 43 43 SER HA H 43 4.524 4.524 4.397 0.127 18504 3056 1 7 . 1 1 43 43 SER C C 43 174.426 174.426 175.669 -1.243 18504 3057 1 7 . 1 1 43 43 SER CA C 43 58.206 58.206 60.449 -2.243 18504 3058 1 7 . 1 1 43 43 SER CB C 43 65.517 65.517 63.017 2.501 18504 3059 1 7 . 1 1 43 43 SER H H 43 7.511 7.511 8.501 -0.990 18504 3060 1 7 . 1 1 44 44 LYS N N 44 123.332 123.332 121.977 1.355 18504 3061 1 7 . 1 1 44 44 LYS C C 44 177.791 177.791 178.752 -0.961 18504 3062 1 7 . 1 1 44 44 LYS CA C 44 59.456 59.456 59.406 0.050 18504 3063 1 7 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.269 -2.097 18504 3064 1 7 . 1 1 44 44 LYS H H 44 8.846 8.846 8.587 0.259 18504 3065 1 7 . 1 1 45 45 ASN N N 45 118.501 118.501 116.895 1.606 18504 3066 1 7 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.543 -0.073 18504 3067 1 7 . 1 1 45 45 ASN C C 45 177.817 177.817 177.294 0.523 18504 3068 1 7 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.326 0.602 18504 3069 1 7 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.193 0.211 18504 3070 1 7 . 1 1 45 45 ASN H H 45 8.545 8.545 8.342 0.203 18504 3071 1 7 . 1 1 46 46 MET N N 46 116.171 116.171 119.888 -3.717 18504 3072 1 7 . 1 1 46 46 MET HA H 46 4.471 4.471 4.168 0.303 18504 3073 1 7 . 1 1 46 46 MET C C 46 178.964 178.964 177.977 0.987 18504 3074 1 7 . 1 1 46 46 MET CA C 46 55.467 55.467 59.585 -4.118 18504 3075 1 7 . 1 1 46 46 MET CB C 46 29.707 29.707 32.978 -3.271 18504 3076 1 7 . 1 1 46 46 MET H H 46 7.379 7.379 7.626 -0.247 18504 3077 1 7 . 1 1 47 47 LYS N N 47 121.054 121.054 118.661 2.393 18504 3078 1 7 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.914 -0.030 18504 3079 1 7 . 1 1 47 47 LYS C C 47 179.310 179.310 179.068 0.242 18504 3080 1 7 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.526 0.813 18504 3081 1 7 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.035 -0.285 18504 3082 1 7 . 1 1 47 47 LYS H H 47 8.450 8.450 8.520 -0.070 18504 3083 1 7 . 1 1 48 48 ASN N N 48 117.137 117.137 116.841 0.296 18504 3084 1 7 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.508 -0.627 18504 3085 1 7 . 1 1 48 48 ASN C C 48 177.733 177.733 177.101 0.632 18504 3086 1 7 . 1 1 48 48 ASN CA C 48 56.540 56.540 55.825 0.715 18504 3087 1 7 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.402 -0.069 18504 3088 1 7 . 1 1 48 48 ASN H H 48 7.896 7.896 7.613 0.283 18504 3089 1 7 . 1 1 49 49 VAL N N 49 121.225 121.225 120.310 0.915 18504 3090 1 7 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.582 0.097 18504 3091 1 7 . 1 1 49 49 VAL C C 49 176.675 176.675 177.610 -0.935 18504 3092 1 7 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.046 0.388 18504 3093 1 7 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.203 0.866 18504 3094 1 7 . 1 1 49 49 VAL H H 49 7.869 7.869 7.120 0.749 18504 3095 1 7 . 1 1 50 50 ILE N N 50 120.523 120.523 119.641 0.882 18504 3096 1 7 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.462 0.788 18504 3097 1 7 . 1 1 50 50 ILE C C 50 179.831 179.831 177.864 1.967 18504 3098 1 7 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.467 -6.527 18504 3099 1 7 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.689 2.423 18504 3100 1 7 . 1 1 50 50 ILE H H 50 8.093 8.093 7.857 0.236 18504 3101 1 7 . 1 1 51 51 ASN N N 51 117.280 117.280 117.758 -0.478 18504 3102 1 7 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.516 -0.497 18504 3103 1 7 . 1 1 51 51 ASN C C 51 178.496 178.496 177.430 1.066 18504 3104 1 7 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.371 0.241 18504 3105 1 7 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.078 0.277 18504 3106 1 7 . 1 1 51 51 ASN H H 51 7.953 7.953 7.872 0.081 18504 3107 1 7 . 1 1 52 52 ASN N N 52 118.893 118.893 119.216 -0.323 18504 3108 1 7 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.579 -0.164 18504 3109 1 7 . 1 1 52 52 ASN C C 52 176.434 176.434 177.060 -0.626 18504 3110 1 7 . 1 1 52 52 ASN CA C 52 56.770 56.770 55.748 1.022 18504 3111 1 7 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.029 0.325 18504 3112 1 7 . 1 1 52 52 ASN H H 52 8.347 8.347 7.494 0.853 18504 3113 1 7 . 1 1 53 53 ALA N N 53 122.291 122.291 122.365 -0.074 18504 3114 1 7 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.033 0.481 18504 3115 1 7 . 1 1 53 53 ALA C C 53 180.689 180.689 179.308 1.381 18504 3116 1 7 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.158 -0.257 18504 3117 1 7 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.294 -0.393 18504 3118 1 7 . 1 1 53 53 ALA H H 53 7.706 7.706 8.856 -1.150 18504 3119 1 7 . 1 1 54 54 LYS N N 54 119.091 119.091 118.053 1.038 18504 3120 1 7 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.195 -0.358 18504 3121 1 7 . 1 1 54 54 LYS C C 54 178.066 178.066 178.501 -0.435 18504 3122 1 7 . 1 1 54 54 LYS CA C 54 60.306 60.306 58.871 1.435 18504 3123 1 7 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.352 -0.264 18504 3124 1 7 . 1 1 54 54 LYS H H 54 8.375 8.375 7.639 0.736 18504 3125 1 7 . 1 1 55 55 LYS N N 55 119.370 119.370 119.558 -0.188 18504 3126 1 7 . 1 1 55 55 LYS HA H 55 3.873 3.873 4.236 -0.363 18504 3127 1 7 . 1 1 55 55 LYS C C 55 179.819 179.819 179.109 0.710 18504 3128 1 7 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.515 0.771 18504 3129 1 7 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.294 -0.304 18504 3130 1 7 . 1 1 55 55 LYS H H 55 8.259 8.259 7.587 0.672 18504 3131 1 7 . 1 1 56 56 ASN N N 56 119.303 119.303 118.007 1.296 18504 3132 1 7 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.338 0.071 18504 3133 1 7 . 1 1 56 56 ASN C C 56 178.899 178.899 177.003 1.896 18504 3134 1 7 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.679 0.061 18504 3135 1 7 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.472 -1.369 18504 3136 1 7 . 1 1 56 56 ASN H H 56 8.235 8.235 8.266 -0.031 18504 3137 1 7 . 1 1 57 57 LEU N N 57 123.252 123.252 121.652 1.600 18504 3138 1 7 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.421 0.261 18504 3139 1 7 . 1 1 57 57 LEU C C 57 178.541 178.541 179.084 -0.543 18504 3140 1 7 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.430 -0.231 18504 3141 1 7 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.463 1.163 18504 3142 1 7 . 1 1 57 57 LEU H H 57 8.210 8.210 7.898 0.312 18504 3143 1 7 . 1 1 58 58 GLU N N 58 118.795 118.795 116.819 1.976 18504 3144 1 7 . 1 1 58 58 GLU HA H 58 4.003 4.003 4.040 -0.037 18504 3145 1 7 . 1 1 58 58 GLU C C 58 177.333 177.333 178.942 -1.609 18504 3146 1 7 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.217 1.928 18504 3147 1 7 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.776 1.536 18504 3148 1 7 . 1 1 58 58 GLU H H 58 8.846 8.846 8.188 0.658 18504 3149 1 7 . 1 1 59 59 LYS N N 59 118.325 118.325 119.741 -1.416 18504 3150 1 7 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.919 0.556 18504 3151 1 7 . 1 1 59 59 LYS C C 59 178.428 178.428 179.287 -0.859 18504 3152 1 7 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.097 1.048 18504 3153 1 7 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.152 0.536 18504 3154 1 7 . 1 1 59 59 LYS H H 59 8.373 8.373 7.441 0.932 18504 3155 1 7 . 1 1 60 60 TYR N N 60 119.345 119.345 117.569 1.776 18504 3156 1 7 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.517 -0.190 18504 3157 1 7 . 1 1 60 60 TYR C C 60 178.899 178.899 178.355 0.544 18504 3158 1 7 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.921 2.473 18504 3159 1 7 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.242 0.052 18504 3160 1 7 . 1 1 60 60 TYR H H 60 7.532 7.532 7.317 0.215 18504 3161 1 7 . 1 1 61 61 PHE N N 61 118.931 118.931 121.440 -2.509 18504 3162 1 7 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.887 -0.559 18504 3163 1 7 . 1 1 61 61 PHE C C 61 178.450 178.450 177.291 1.159 18504 3164 1 7 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.855 1.539 18504 3165 1 7 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.541 -1.619 18504 3166 1 7 . 1 1 61 61 PHE H H 61 8.607 8.607 8.113 0.494 18504 3167 1 7 . 1 1 62 62 LYS N N 62 118.337 118.337 118.187 0.150 18504 3168 1 7 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.056 0.246 18504 3169 1 7 . 1 1 62 62 LYS C C 62 178.333 178.333 177.879 0.454 18504 3170 1 7 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.769 0.542 18504 3171 1 7 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.602 0.247 18504 3172 1 7 . 1 1 62 62 LYS H H 62 8.615 8.615 8.419 0.196 18504 3173 1 7 . 1 1 63 63 GLU N N 63 116.360 116.360 117.501 -1.141 18504 3174 1 7 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.182 -0.256 18504 3175 1 7 . 1 1 63 63 GLU C C 63 177.317 177.317 177.652 -0.335 18504 3176 1 7 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.079 0.237 18504 3177 1 7 . 1 1 63 63 GLU CB C 63 29.356 29.356 31.038 -1.682 18504 3178 1 7 . 1 1 63 63 GLU H H 63 7.547 7.547 7.788 -0.241 18504 3179 1 7 . 1 1 64 64 HIS N N 64 113.580 113.580 118.041 -4.461 18504 3180 1 7 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.633 -0.212 18504 3181 1 7 . 1 1 64 64 HIS C C 64 173.911 173.911 175.036 -1.125 18504 3182 1 7 . 1 1 64 64 HIS CA C 64 58.082 58.082 56.209 1.873 18504 3183 1 7 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.659 1.176 18504 3184 1 7 . 1 1 64 64 HIS H H 64 7.013 7.013 8.507 -1.494 18504 3185 1 7 . 1 1 65 65 PHE N N 65 119.434 119.434 117.410 2.024 18504 3186 1 7 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.435 0.501 18504 3187 1 7 . 1 1 65 65 PHE C C 65 175.232 175.232 174.281 0.951 18504 3188 1 7 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.266 -2.043 18504 3189 1 7 . 1 1 65 65 PHE CB C 65 40.362 40.362 36.834 3.528 18504 3190 1 7 . 1 1 65 65 PHE H H 65 8.340 8.340 8.123 0.217 18504 3191 1 7 . 1 1 66 66 LYS N N 66 123.217 123.217 116.598 6.619 18504 3192 1 7 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.161 0.127 18504 3193 1 7 . 1 1 66 66 LYS C C 66 177.685 177.685 173.617 4.068 18504 3194 1 7 . 1 1 66 66 LYS CA C 66 58.798 58.798 54.580 4.218 18504 3195 1 7 . 1 1 66 66 LYS CB C 66 32.473 32.473 37.061 -4.588 18504 3196 1 7 . 1 1 66 66 LYS H H 66 8.590 8.590 7.259 1.331 18504 3197 1 7 . 1 1 67 67 GLU N N 67 117.085 117.085 119.571 -2.486 18504 3198 1 7 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.463 -0.102 18504 3199 1 7 . 1 1 67 67 GLU C C 67 175.770 175.770 174.849 0.921 18504 3200 1 7 . 1 1 67 67 GLU CA C 67 56.364 56.364 55.945 0.419 18504 3201 1 7 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.980 -1.877 18504 3202 1 7 . 1 1 67 67 GLU H H 67 8.969 8.969 8.229 0.740 18504 3203 1 7 . 1 1 68 68 PHE N N 68 121.127 121.127 121.811 -0.684 18504 3204 1 7 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.501 -0.229 18504 3205 1 7 . 1 1 68 68 PHE C C 68 173.621 173.621 174.633 -1.012 18504 3206 1 7 . 1 1 68 68 PHE CA C 68 59.096 59.096 58.918 0.178 18504 3207 1 7 . 1 1 68 68 PHE CB C 68 40.772 40.772 40.623 0.149 18504 3208 1 7 . 1 1 68 68 PHE H H 68 7.752 7.752 8.393 -0.641 18504 3209 1 7 . 1 1 69 69 ASP N N 69 125.720 125.720 124.194 1.526 18504 3210 1 7 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.494 0.109 18504 3211 1 7 . 1 1 69 69 ASP C C 69 173.387 173.387 175.255 -1.868 18504 3212 1 7 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.941 -0.060 18504 3213 1 7 . 1 1 69 69 ASP CB C 69 41.806 41.806 40.540 1.266 18504 3214 1 7 . 1 1 69 69 ASP H H 69 7.767 7.767 8.134 -0.367 18504 3215 1 7 . 1 1 70 70 LYS N N 70 115.004 115.004 124.628 -9.624 18504 3216 1 7 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.617 -0.168 18504 3217 1 7 . 1 1 70 70 LYS C C 70 175.841 175.841 175.298 0.543 18504 3218 1 7 . 1 1 70 70 LYS CA C 70 55.486 55.486 55.070 0.416 18504 3219 1 7 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.352 -0.571 18504 3220 1 7 . 1 1 70 70 LYS H H 70 7.305 7.305 7.699 -0.394 18504 3221 1 7 . 1 1 71 71 ILE N N 71 122.809 122.809 118.313 4.496 18504 3222 1 7 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.306 0.403 18504 3223 1 7 . 1 1 71 71 ILE C C 71 175.120 175.120 174.420 0.700 18504 3224 1 7 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.567 -1.315 18504 3225 1 7 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.387 -2.085 18504 3226 1 7 . 1 1 71 71 ILE H H 71 9.522 9.522 8.243 1.279 18504 3227 1 7 . 1 1 72 72 SER N N 72 121.741 121.741 121.395 0.346 18504 3228 1 7 . 1 1 72 72 SER HA H 72 4.920 4.920 4.831 0.089 18504 3229 1 7 . 1 1 72 72 SER C C 72 172.157 172.157 172.629 -0.472 18504 3230 1 7 . 1 1 72 72 SER CA C 72 57.730 57.730 57.236 0.494 18504 3231 1 7 . 1 1 72 72 SER CB C 72 65.634 65.634 64.603 1.031 18504 3232 1 7 . 1 1 72 72 SER H H 72 8.760 8.760 8.186 0.574 18504 3233 1 7 . 1 1 73 73 TYR N N 73 118.245 118.245 120.710 -2.465 18504 3234 1 7 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.951 0.770 18504 3235 1 7 . 1 1 73 73 TYR C C 73 173.231 173.231 173.838 -0.607 18504 3236 1 7 . 1 1 73 73 TYR CA C 73 56.230 56.230 55.443 0.787 18504 3237 1 7 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.099 1.284 18504 3238 1 7 . 1 1 73 73 TYR H H 73 8.275 8.275 8.195 0.080 18504 3239 1 7 . 1 1 74 74 ASP N N 74 120.379 120.379 121.755 -1.376 18504 3240 1 7 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.938 0.117 18504 3241 1 7 . 1 1 74 74 ASP C C 74 174.827 174.827 174.253 0.574 18504 3242 1 7 . 1 1 74 74 ASP CA C 74 53.601 53.601 52.985 0.616 18504 3243 1 7 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.072 0.569 18504 3244 1 7 . 1 1 74 74 ASP H H 74 9.332 9.332 8.328 1.004 18504 3245 1 7 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.402 0.182 18504 3246 1 7 . 1 1 75 75 ILE C C 75 177.411 177.411 175.075 2.336 18504 3247 1 7 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.097 -0.888 18504 3248 1 7 . 1 1 75 75 ILE CB C 75 40.768 40.768 39.329 1.439 18504 3249 1 7 . 1 1 75 75 ILE H H 75 7.501 7.501 8.269 -0.768 18504 3250 1 7 . 1 1 76 76 SER N N 76 117.836 117.836 119.102 -1.266 18504 3251 1 7 . 1 1 76 76 SER HA H 76 5.450 5.450 4.796 0.654 18504 3252 1 7 . 1 1 76 76 SER C C 76 173.767 173.767 174.365 -0.598 18504 3253 1 7 . 1 1 76 76 SER CA C 76 57.758 57.758 57.455 0.303 18504 3254 1 7 . 1 1 76 76 SER CB C 76 64.462 64.462 64.299 0.162 18504 3255 1 7 . 1 1 76 76 SER H H 76 9.050 9.050 8.236 0.814 18504 3256 1 7 . 1 1 77 77 THR N N 77 117.435 117.435 122.000 -4.565 18504 3257 1 7 . 1 1 77 77 THR HA H 77 4.959 4.959 4.604 0.355 18504 3258 1 7 . 1 1 77 77 THR C C 77 172.636 172.636 173.995 -1.359 18504 3259 1 7 . 1 1 77 77 THR CA C 77 58.870 58.870 64.394 -5.524 18504 3260 1 7 . 1 1 77 77 THR CB C 77 69.935 69.935 68.117 1.818 18504 3261 1 7 . 1 1 77 77 THR H H 77 8.601 8.601 8.817 -0.216 18504 3262 1 7 . 1 1 78 78 PRO C C 78 179.328 179.328 176.883 2.445 18504 3263 1 7 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.598 -1.115 18504 3264 1 7 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.654 0.508 18504 3265 1 7 . 1 1 79 79 ILE N N 79 120.707 120.707 110.758 9.949 18504 3266 1 7 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.351 0.270 18504 3267 1 7 . 1 1 79 79 ILE C C 79 177.212 177.212 175.999 1.213 18504 3268 1 7 . 1 1 79 79 ILE CA C 79 65.921 65.921 61.018 4.903 18504 3269 1 7 . 1 1 79 79 ILE CB C 79 37.468 37.468 39.209 -1.740 18504 3270 1 7 . 1 1 79 79 ILE H H 79 8.227 8.227 7.501 0.726 18504 3271 1 7 . 1 1 80 80 ASN N N 80 118.168 118.168 118.066 0.102 18504 3272 1 7 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.385 0.045 18504 3273 1 7 . 1 1 80 80 ASN C C 80 178.172 178.172 173.377 4.795 18504 3274 1 7 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.319 2.443 18504 3275 1 7 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.024 1.063 18504 3276 1 7 . 1 1 80 80 ASN H H 80 8.466 8.466 7.899 0.567 18504 3277 1 7 . 1 1 81 81 PHE N N 81 129.059 129.059 114.866 14.193 18504 3278 1 7 . 1 1 81 81 PHE C C 81 174.016 174.016 174.118 -0.102 18504 3279 1 7 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.432 -1.613 18504 3280 1 7 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.576 -2.803 18504 3281 1 7 . 1 1 81 81 PHE H H 81 9.152 9.152 8.109 1.043 18504 3282 1 7 . 1 1 82 82 LEU N N 82 124.640 124.640 120.744 3.896 18504 3283 1 7 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.731 0.262 18504 3284 1 7 . 1 1 82 82 LEU C C 82 173.695 173.695 175.614 -1.919 18504 3285 1 7 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.816 -0.066 18504 3286 1 7 . 1 1 82 82 LEU CB C 82 44.936 44.936 42.866 2.070 18504 3287 1 7 . 1 1 82 82 LEU H H 82 9.147 9.147 8.520 0.627 18504 3288 1 7 . 1 1 83 83 CYS N N 83 126.066 126.066 125.255 0.811 18504 3289 1 7 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.720 0.518 18504 3290 1 7 . 1 1 83 83 CYS C C 83 173.733 173.733 173.483 0.250 18504 3291 1 7 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.682 -1.321 18504 3292 1 7 . 1 1 83 83 CYS CB C 83 28.374 28.374 29.243 -0.869 18504 3293 1 7 . 1 1 83 83 CYS H H 83 9.065 9.065 8.443 0.622 18504 3294 1 7 . 1 1 84 84 ILE N N 84 126.110 126.110 130.190 -4.080 18504 3295 1 7 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.555 -0.196 18504 3296 1 7 . 1 1 84 84 ILE C C 84 174.745 174.745 174.925 -0.180 18504 3297 1 7 . 1 1 84 84 ILE CA C 84 60.519 60.519 58.673 1.846 18504 3298 1 7 . 1 1 84 84 ILE CB C 84 40.358 40.358 36.656 3.702 18504 3299 1 7 . 1 1 84 84 ILE H H 84 9.426 9.426 9.027 0.399 18504 3300 1 7 . 1 1 85 85 PHE N N 85 126.315 126.315 129.074 -2.759 18504 3301 1 7 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.695 0.324 18504 3302 1 7 . 1 1 85 85 PHE C C 85 175.358 175.358 174.957 0.401 18504 3303 1 7 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.869 0.862 18504 3304 1 7 . 1 1 85 85 PHE CB C 85 38.742 38.742 38.609 0.133 18504 3305 1 7 . 1 1 85 85 PHE H H 85 8.337 8.337 8.292 0.045 18504 3306 1 7 . 1 1 86 86 ILE N N 86 126.561 126.561 128.079 -1.518 18504 3307 1 7 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.551 0.352 18504 3308 1 7 . 1 1 86 86 ILE C C 86 173.967 173.967 173.477 0.490 18504 3309 1 7 . 1 1 86 86 ILE CA C 86 55.386 55.386 56.959 -1.573 18504 3310 1 7 . 1 1 86 86 ILE CB C 86 38.811 38.811 39.674 -0.863 18504 3311 1 7 . 1 1 86 86 ILE H H 86 9.161 9.161 7.776 1.385 18504 3312 1 7 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.652 0.370 18504 3313 1 7 . 1 1 87 87 PRO C C 87 177.938 177.938 175.524 2.414 18504 3314 1 7 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.491 0.017 18504 3315 1 7 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.609 0.925 18504 3316 1 7 . 1 1 88 88 THR N N 88 113.282 113.282 117.103 -3.821 18504 3317 1 7 . 1 1 88 88 THR HA H 88 4.486 4.486 4.634 -0.148 18504 3318 1 7 . 1 1 88 88 THR C C 88 176.082 176.082 173.407 2.675 18504 3319 1 7 . 1 1 88 88 THR CA C 88 60.306 60.306 60.138 0.168 18504 3320 1 7 . 1 1 88 88 THR CB C 88 66.727 66.727 71.420 -4.693 18504 3321 1 7 . 1 1 88 88 THR H H 88 8.003 8.003 8.345 -0.342 18504 3322 1 7 . 1 1 89 89 LEU N N 89 122.317 122.317 125.427 -3.110 18504 3323 1 7 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.635 -0.626 18504 3324 1 7 . 1 1 89 89 LEU C C 89 175.776 175.776 176.665 -0.889 18504 3325 1 7 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.261 -0.291 18504 3326 1 7 . 1 1 89 89 LEU CB C 89 41.996 41.996 41.829 0.167 18504 3327 1 7 . 1 1 89 89 LEU H H 89 7.822 7.822 8.582 -0.760 18504 3328 1 7 . 1 1 90 90 PHE N N 90 114.801 114.801 119.119 -4.318 18504 3329 1 7 . 1 1 90 90 PHE HA H 90 5.560 5.560 3.888 1.672 18504 3330 1 7 . 1 1 90 90 PHE C C 90 175.869 175.869 173.770 2.099 18504 3331 1 7 . 1 1 90 90 PHE CA C 90 55.096 55.096 59.212 -4.115 18504 3332 1 7 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.390 1.717 18504 3333 1 7 . 1 1 90 90 PHE H H 90 7.110 7.110 7.596 -0.486 18504 3334 1 7 . 1 1 91 91 ASP N N 91 127.244 127.244 123.301 3.943 18504 3335 1 7 . 1 1 91 91 ASP HA H 91 4.557 4.557 3.925 0.632 18504 3336 1 7 . 1 1 91 91 ASP C C 91 175.684 175.684 176.376 -0.692 18504 3337 1 7 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.589 -1.620 18504 3338 1 7 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.053 1.163 18504 3339 1 7 . 1 1 91 91 ASP H H 91 9.852 9.852 8.223 1.629 18504 3340 1 7 . 1 1 92 92 MET N N 92 113.730 113.730 118.573 -4.843 18504 3341 1 7 . 1 1 92 92 MET HA H 92 4.278 4.278 4.063 0.215 18504 3342 1 7 . 1 1 92 92 MET C C 92 177.571 177.571 177.362 0.209 18504 3343 1 7 . 1 1 92 92 MET CA C 92 58.815 58.815 57.797 1.018 18504 3344 1 7 . 1 1 92 92 MET CB C 92 32.010 32.010 32.231 -0.221 18504 3345 1 7 . 1 1 92 92 MET H H 92 8.574 8.574 7.986 0.588 18504 3346 1 7 . 1 1 93 93 ASN N N 93 115.175 115.175 116.190 -1.015 18504 3347 1 7 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.225 0.524 18504 3348 1 7 . 1 1 93 93 ASN C C 93 176.300 176.300 175.392 0.908 18504 3349 1 7 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.183 1.010 18504 3350 1 7 . 1 1 93 93 ASN CB C 93 39.426 39.426 37.893 1.533 18504 3351 1 7 . 1 1 93 93 ASN H H 93 8.576 8.576 8.112 0.464 18504 3352 1 7 . 1 1 94 94 ASN N N 94 119.005 119.005 115.323 3.682 18504 3353 1 7 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.280 0.911 18504 3354 1 7 . 1 1 94 94 ASN C C 94 177.230 177.230 174.271 2.959 18504 3355 1 7 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.591 -1.960 18504 3356 1 7 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.316 0.777 18504 3357 1 7 . 1 1 94 94 ASN H H 94 8.049 8.049 8.224 -0.175 18504 3358 1 7 . 1 1 95 95 MET N N 95 117.771 117.771 115.640 2.131 18504 3359 1 7 . 1 1 95 95 MET HA H 95 4.048 4.048 4.557 -0.509 18504 3360 1 7 . 1 1 95 95 MET C C 95 178.005 178.005 174.723 3.282 18504 3361 1 7 . 1 1 95 95 MET CA C 95 58.275 58.275 57.135 1.141 18504 3362 1 7 . 1 1 95 95 MET CB C 95 32.327 32.327 35.294 -2.967 18504 3363 1 7 . 1 1 95 95 MET H H 95 7.489 7.489 9.143 -1.654 18504 3364 1 7 . 1 1 96 96 ASP N N 96 115.629 115.629 116.074 -0.445 18504 3365 1 7 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.784 -0.181 18504 3366 1 7 . 1 1 96 96 ASP C C 96 175.593 175.593 174.678 0.915 18504 3367 1 7 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.033 0.907 18504 3368 1 7 . 1 1 96 96 ASP CB C 96 39.445 39.445 42.174 -2.729 18504 3369 1 7 . 1 1 96 96 ASP H H 96 7.777 7.777 7.981 -0.204 18504 3370 1 7 . 1 1 97 97 LEU N N 97 116.343 116.343 112.152 4.191 18504 3371 1 7 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.604 0.013 18504 3372 1 7 . 1 1 97 97 LEU C C 97 174.835 174.835 177.087 -2.252 18504 3373 1 7 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.862 -1.429 18504 3374 1 7 . 1 1 97 97 LEU CB C 97 39.082 39.082 41.673 -2.591 18504 3375 1 7 . 1 1 97 97 LEU H H 97 8.027 8.027 8.079 -0.052 18504 3376 1 7 . 1 1 98 98 LEU N N 98 118.769 118.769 122.742 -3.973 18504 3377 1 7 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.183 -0.819 18504 3378 1 7 . 1 1 98 98 LEU C C 98 177.586 177.586 178.879 -1.293 18504 3379 1 7 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.367 0.852 18504 3380 1 7 . 1 1 98 98 LEU CB C 98 39.100 39.100 40.513 -1.413 18504 3381 1 7 . 1 1 98 98 LEU H H 98 7.798 7.798 8.070 -0.272 18504 3382 1 7 . 1 1 99 99 LYS N N 99 117.567 117.567 119.615 -2.048 18504 3383 1 7 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.897 -0.481 18504 3384 1 7 . 1 1 99 99 LYS C C 99 177.639 177.639 178.939 -1.300 18504 3385 1 7 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.626 1.207 18504 3386 1 7 . 1 1 99 99 LYS CB C 99 32.044 32.044 32.136 -0.092 18504 3387 1 7 . 1 1 99 99 LYS H H 99 7.603 7.603 8.300 -0.697 18504 3388 1 7 . 1 1 100 100 GLN N N 100 114.564 114.564 118.202 -3.638 18504 3389 1 7 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.194 -0.382 18504 3390 1 7 . 1 1 100 100 GLN C C 100 178.165 178.165 177.782 0.383 18504 3391 1 7 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.272 0.512 18504 3392 1 7 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.574 -1.091 18504 3393 1 7 . 1 1 100 100 GLN H H 100 7.625 7.625 7.725 -0.100 18504 3394 1 7 . 1 1 101 101 ALA N N 101 121.499 121.499 122.633 -1.134 18504 3395 1 7 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.228 -0.940 18504 3396 1 7 . 1 1 101 101 ALA C C 101 178.865 178.865 179.714 -0.849 18504 3397 1 7 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.982 -0.018 18504 3398 1 7 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.457 -0.596 18504 3399 1 7 . 1 1 101 101 ALA H H 101 7.355 7.355 7.572 -0.217 18504 3400 1 7 . 1 1 102 102 LEU N N 102 115.061 115.061 116.137 -1.076 18504 3401 1 7 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.318 0.448 18504 3402 1 7 . 1 1 102 102 LEU C C 102 179.324 179.324 178.530 0.794 18504 3403 1 7 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.953 -0.457 18504 3404 1 7 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.633 0.095 18504 3405 1 7 . 1 1 102 102 LEU H H 102 7.941 7.941 8.804 -0.863 18504 3406 1 7 . 1 1 103 103 LEU N N 103 115.920 115.920 120.213 -4.293 18504 3407 1 7 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.137 0.700 18504 3408 1 7 . 1 1 103 103 LEU C C 103 178.500 178.500 179.448 -0.948 18504 3409 1 7 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.861 -2.971 18504 3410 1 7 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.954 1.812 18504 3411 1 7 . 1 1 103 103 LEU H H 103 8.266 8.266 7.377 0.889 18504 3412 1 7 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.349 0.285 18504 3413 1 7 . 1 1 105 105 LEU C C 105 175.743 175.743 178.784 -3.041 18504 3414 1 7 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.029 0.068 18504 3415 1 7 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.652 -1.874 18504 3416 1 7 . 1 1 106 106 HIS N N 106 122.167 122.167 118.917 3.250 18504 3417 1 7 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.293 -0.027 18504 3418 1 7 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.913 -3.799 18504 3419 1 7 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.623 0.502 18504 3420 1 7 . 1 1 106 106 HIS H H 106 8.252 8.252 7.882 0.370 18504 3421 1 7 . 1 1 107 107 ASN C C 107 179.694 179.694 176.771 2.923 18504 3422 1 7 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.509 1.822 18504 3423 1 7 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.367 3.630 18504 3424 1 7 . 1 1 108 108 ASP N N 108 122.462 122.462 119.308 3.154 18504 3425 1 7 . 1 1 108 108 ASP C C 108 179.328 179.328 178.132 1.196 18504 3426 1 7 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.644 1.045 18504 3427 1 7 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.806 1.234 18504 3428 1 7 . 1 1 108 108 ASP H H 108 8.174 8.174 7.704 0.470 18504 3429 1 7 . 1 1 109 109 LEU N N 109 115.664 115.664 120.731 -5.067 18504 3430 1 7 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.259 0.593 18504 3431 1 7 . 1 1 109 109 LEU C C 109 178.510 178.510 178.979 -0.469 18504 3432 1 7 . 1 1 109 109 LEU CA C 109 55.154 55.154 57.324 -2.170 18504 3433 1 7 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.552 1.596 18504 3434 1 7 . 1 1 109 109 LEU H H 109 8.380 8.380 7.608 0.772 18504 3435 1 7 . 1 1 110 110 HIS N N 110 118.905 118.905 117.879 1.026 18504 3436 1 7 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.298 -0.388 18504 3437 1 7 . 1 1 110 110 HIS C C 110 176.152 176.152 176.775 -0.623 18504 3438 1 7 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.586 2.426 18504 3439 1 7 . 1 1 110 110 HIS CB C 110 28.112 28.112 30.081 -1.969 18504 3440 1 7 . 1 1 110 110 HIS H H 110 8.518 8.518 8.592 -0.074 18504 3441 1 7 . 1 1 111 111 GLU N N 111 117.923 117.923 117.265 0.658 18504 3442 1 7 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.140 -0.409 18504 3443 1 7 . 1 1 111 111 GLU C C 111 176.596 176.596 177.044 -0.448 18504 3444 1 7 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.938 -0.544 18504 3445 1 7 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.767 -0.723 18504 3446 1 7 . 1 1 111 111 GLU H H 111 8.018 8.018 7.913 0.105 18504 3447 1 7 . 1 1 112 112 TYR N N 112 114.607 114.607 116.991 -2.384 18504 3448 1 7 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.465 -0.028 18504 3449 1 7 . 1 1 112 112 TYR C C 112 174.448 174.448 174.902 -0.454 18504 3450 1 7 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.022 -1.250 18504 3451 1 7 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.557 0.430 18504 3452 1 7 . 1 1 112 112 TYR H H 112 7.905 7.905 7.659 0.246 18504 3453 1 7 . 1 1 113 113 VAL N N 113 118.003 118.003 119.766 -1.763 18504 3454 1 7 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.830 0.276 18504 3455 1 7 . 1 1 113 113 VAL C C 113 175.134 175.134 174.978 0.156 18504 3456 1 7 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.705 -1.018 18504 3457 1 7 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.174 3.054 18504 3458 1 7 . 1 1 113 113 VAL H H 113 6.976 6.976 8.291 -1.315 18504 3459 1 8 . 1 1 27 27 SER HA H 27 4.339 4.339 4.890 -0.551 18504 3460 1 8 . 1 1 27 27 SER C C 27 175.743 175.743 172.750 2.993 18504 3461 1 8 . 1 1 27 27 SER CA C 27 60.497 60.497 57.530 2.967 18504 3462 1 8 . 1 1 27 27 SER CB C 27 63.659 63.659 65.073 -1.414 18504 3463 1 8 . 1 1 28 28 LYS N N 28 118.099 118.099 123.182 -5.083 18504 3464 1 8 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.761 0.457 18504 3465 1 8 . 1 1 28 28 LYS C C 28 175.699 175.699 175.264 0.435 18504 3466 1 8 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.739 -0.194 18504 3467 1 8 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.884 1.029 18504 3468 1 8 . 1 1 28 28 LYS H H 28 7.785 7.785 8.447 -0.662 18504 3469 1 8 . 1 1 29 29 GLN N N 29 122.481 122.481 124.193 -1.712 18504 3470 1 8 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.665 0.073 18504 3471 1 8 . 1 1 29 29 GLN C C 29 174.277 174.277 174.207 0.070 18504 3472 1 8 . 1 1 29 29 GLN CA C 29 55.525 55.525 55.064 0.461 18504 3473 1 8 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.208 -0.338 18504 3474 1 8 . 1 1 29 29 GLN H H 29 9.283 9.283 8.528 0.755 18504 3475 1 8 . 1 1 30 30 GLU N N 30 122.881 122.881 122.047 0.834 18504 3476 1 8 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.933 -0.657 18504 3477 1 8 . 1 1 30 30 GLU C C 30 173.313 173.313 174.923 -1.610 18504 3478 1 8 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.892 1.062 18504 3479 1 8 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.234 -0.180 18504 3480 1 8 . 1 1 30 30 GLU H H 30 9.188 9.188 8.559 0.629 18504 3481 1 8 . 1 1 31 31 LEU N N 31 130.328 130.328 126.491 3.837 18504 3482 1 8 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.480 -0.187 18504 3483 1 8 . 1 1 31 31 LEU C C 31 171.909 171.909 175.933 -4.024 18504 3484 1 8 . 1 1 31 31 LEU CA C 31 53.281 53.281 54.196 -0.915 18504 3485 1 8 . 1 1 31 31 LEU CB C 31 42.450 42.450 43.049 -0.599 18504 3486 1 8 . 1 1 31 31 LEU H H 31 9.016 9.016 8.656 0.360 18504 3487 1 8 . 1 1 32 32 ILE N N 32 120.632 120.632 123.980 -3.348 18504 3488 1 8 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.046 1.482 18504 3489 1 8 . 1 1 32 32 ILE C C 32 175.735 175.735 175.729 0.006 18504 3490 1 8 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.995 -1.771 18504 3491 1 8 . 1 1 32 32 ILE CB C 32 36.625 36.625 37.630 -1.004 18504 3492 1 8 . 1 1 32 32 ILE H H 32 8.738 8.738 8.318 0.420 18504 3493 1 8 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.706 -0.709 18504 3494 1 8 . 1 1 33 33 LEU C C 33 180.030 180.030 175.811 4.219 18504 3495 1 8 . 1 1 33 33 LEU CA C 33 58.333 58.333 54.125 4.208 18504 3496 1 8 . 1 1 33 33 LEU CB C 33 41.433 41.433 44.315 -2.882 18504 3497 1 8 . 1 1 34 34 VAL N N 34 124.025 124.025 116.712 7.313 18504 3498 1 8 . 1 1 34 34 VAL HA H 34 3.617 3.617 3.751 -0.134 18504 3499 1 8 . 1 1 34 34 VAL C C 34 178.222 178.222 175.114 3.108 18504 3500 1 8 . 1 1 34 34 VAL CA C 34 66.122 66.122 63.110 3.012 18504 3501 1 8 . 1 1 34 34 VAL CB C 34 37.942 37.942 31.886 6.056 18504 3502 1 8 . 1 1 34 34 VAL H H 34 7.751 7.751 8.601 -0.850 18504 3503 1 8 . 1 1 35 35 LEU N N 35 120.009 120.009 127.812 -7.803 18504 3504 1 8 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.793 -0.517 18504 3505 1 8 . 1 1 35 35 LEU C C 35 175.855 175.855 176.544 -0.689 18504 3506 1 8 . 1 1 35 35 LEU CA C 35 57.375 57.375 56.461 0.914 18504 3507 1 8 . 1 1 35 35 LEU CB C 35 43.089 43.089 42.989 0.100 18504 3508 1 8 . 1 1 35 35 LEU H H 35 7.532 7.532 8.347 -0.815 18504 3509 1 8 . 1 1 36 36 LYS N N 36 115.805 115.805 119.897 -4.092 18504 3510 1 8 . 1 1 36 36 LYS C C 36 178.903 178.903 175.689 3.214 18504 3511 1 8 . 1 1 36 36 LYS CA C 36 58.347 58.347 55.829 2.518 18504 3512 1 8 . 1 1 36 36 LYS CB C 36 32.903 32.903 33.125 -0.222 18504 3513 1 8 . 1 1 36 36 LYS H H 36 7.501 7.501 7.783 -0.282 18504 3514 1 8 . 1 1 37 37 GLY N N 37 110.626 110.626 111.187 -0.561 18504 3515 1 8 . 1 1 37 37 GLY C C 37 174.865 174.865 172.650 2.215 18504 3516 1 8 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.439 3.027 18504 3517 1 8 . 1 1 37 37 GLY H H 37 8.811 8.811 8.435 0.376 18504 3518 1 8 . 1 1 38 38 GLU N N 38 116.098 116.098 118.482 -2.384 18504 3519 1 8 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.357 -0.055 18504 3520 1 8 . 1 1 38 38 GLU C C 38 176.681 176.681 176.311 0.370 18504 3521 1 8 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.336 0.848 18504 3522 1 8 . 1 1 38 38 GLU CB C 38 28.829 28.829 32.074 -3.245 18504 3523 1 8 . 1 1 38 38 GLU H H 38 8.763 8.763 8.317 0.446 18504 3524 1 8 . 1 1 39 39 LEU N N 39 119.439 119.439 118.818 0.621 18504 3525 1 8 . 1 1 39 39 LEU HA H 39 4.266 4.266 3.873 0.393 18504 3526 1 8 . 1 1 39 39 LEU C C 39 176.016 176.016 176.807 -0.791 18504 3527 1 8 . 1 1 39 39 LEU CA C 39 54.725 54.725 57.050 -2.325 18504 3528 1 8 . 1 1 39 39 LEU CB C 39 43.602 43.602 41.006 2.596 18504 3529 1 8 . 1 1 39 39 LEU H H 39 7.167 7.167 8.571 -1.404 18504 3530 1 8 . 1 1 40 40 ASP N N 40 120.105 120.105 117.993 2.112 18504 3531 1 8 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.831 -0.103 18504 3532 1 8 . 1 1 40 40 ASP C C 40 178.198 178.198 176.696 1.502 18504 3533 1 8 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.494 -2.304 18504 3534 1 8 . 1 1 40 40 ASP CB C 40 40.557 40.557 42.331 -1.774 18504 3535 1 8 . 1 1 40 40 ASP H H 40 8.596 8.596 8.326 0.270 18504 3536 1 8 . 1 1 41 41 LEU N N 41 125.023 125.023 118.620 6.403 18504 3537 1 8 . 1 1 41 41 LEU HA H 41 3.753 3.753 3.962 -0.209 18504 3538 1 8 . 1 1 41 41 LEU C C 41 175.113 175.113 175.001 0.112 18504 3539 1 8 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.703 0.964 18504 3540 1 8 . 1 1 41 41 LEU CB C 41 39.849 39.849 42.126 -2.277 18504 3541 1 8 . 1 1 41 41 LEU H H 41 9.029 9.029 8.172 0.857 18504 3542 1 8 . 1 1 42 42 HIS N N 42 113.184 113.184 115.538 -2.354 18504 3543 1 8 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.714 -0.190 18504 3544 1 8 . 1 1 42 42 HIS C C 42 175.855 175.855 173.651 2.204 18504 3545 1 8 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.187 0.729 18504 3546 1 8 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.550 -0.413 18504 3547 1 8 . 1 1 42 42 HIS H H 42 8.065 8.065 8.097 -0.032 18504 3548 1 8 . 1 1 43 43 SER N N 43 116.013 116.013 118.431 -2.418 18504 3549 1 8 . 1 1 43 43 SER HA H 43 4.524 4.524 4.672 -0.148 18504 3550 1 8 . 1 1 43 43 SER C C 43 174.426 174.426 175.304 -0.878 18504 3551 1 8 . 1 1 43 43 SER CA C 43 58.206 58.206 58.577 -0.371 18504 3552 1 8 . 1 1 43 43 SER CB C 43 65.517 65.517 63.692 1.825 18504 3553 1 8 . 1 1 43 43 SER H H 43 7.511 7.511 8.726 -1.215 18504 3554 1 8 . 1 1 44 44 LYS N N 44 123.332 123.332 122.778 0.554 18504 3555 1 8 . 1 1 44 44 LYS C C 44 177.791 177.791 177.352 0.439 18504 3556 1 8 . 1 1 44 44 LYS CA C 44 59.456 59.456 57.109 2.347 18504 3557 1 8 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.302 -2.130 18504 3558 1 8 . 1 1 44 44 LYS H H 44 8.846 8.846 8.439 0.407 18504 3559 1 8 . 1 1 45 45 ASN N N 45 118.501 118.501 118.279 0.222 18504 3560 1 8 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.428 0.042 18504 3561 1 8 . 1 1 45 45 ASN C C 45 177.817 177.817 177.081 0.736 18504 3562 1 8 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.747 0.181 18504 3563 1 8 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.642 -0.238 18504 3564 1 8 . 1 1 45 45 ASN H H 45 8.545 8.545 8.571 -0.026 18504 3565 1 8 . 1 1 46 46 MET N N 46 116.171 116.171 116.684 -0.513 18504 3566 1 8 . 1 1 46 46 MET HA H 46 4.471 4.471 4.424 0.047 18504 3567 1 8 . 1 1 46 46 MET C C 46 178.964 178.964 178.021 0.943 18504 3568 1 8 . 1 1 46 46 MET CA C 46 55.467 55.467 59.000 -3.533 18504 3569 1 8 . 1 1 46 46 MET CB C 46 29.707 29.707 32.535 -2.828 18504 3570 1 8 . 1 1 46 46 MET H H 46 7.379 7.379 7.813 -0.434 18504 3571 1 8 . 1 1 47 47 LYS N N 47 121.054 121.054 119.725 1.329 18504 3572 1 8 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.097 -0.213 18504 3573 1 8 . 1 1 47 47 LYS C C 47 179.310 179.310 178.787 0.523 18504 3574 1 8 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.249 1.090 18504 3575 1 8 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.105 -0.355 18504 3576 1 8 . 1 1 47 47 LYS H H 47 8.450 8.450 7.949 0.501 18504 3577 1 8 . 1 1 48 48 ASN N N 48 117.137 117.137 118.232 -1.095 18504 3578 1 8 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.510 -0.629 18504 3579 1 8 . 1 1 48 48 ASN C C 48 177.733 177.733 177.328 0.405 18504 3580 1 8 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.764 -0.224 18504 3581 1 8 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.937 -0.604 18504 3582 1 8 . 1 1 48 48 ASN H H 48 7.896 7.896 7.723 0.173 18504 3583 1 8 . 1 1 49 49 VAL N N 49 121.225 121.225 120.529 0.696 18504 3584 1 8 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.611 0.068 18504 3585 1 8 . 1 1 49 49 VAL C C 49 176.675 176.675 177.214 -0.539 18504 3586 1 8 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.776 -0.342 18504 3587 1 8 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.696 0.373 18504 3588 1 8 . 1 1 49 49 VAL H H 49 7.869 7.869 7.674 0.195 18504 3589 1 8 . 1 1 50 50 ILE N N 50 120.523 120.523 119.224 1.299 18504 3590 1 8 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.260 0.990 18504 3591 1 8 . 1 1 50 50 ILE C C 50 179.831 179.831 176.948 2.883 18504 3592 1 8 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.578 -6.638 18504 3593 1 8 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.719 2.393 18504 3594 1 8 . 1 1 50 50 ILE H H 50 8.093 8.093 7.621 0.472 18504 3595 1 8 . 1 1 51 51 ASN N N 51 117.280 117.280 118.333 -1.053 18504 3596 1 8 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.455 -0.436 18504 3597 1 8 . 1 1 51 51 ASN C C 51 178.496 178.496 177.353 1.143 18504 3598 1 8 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.711 -0.099 18504 3599 1 8 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.588 -0.233 18504 3600 1 8 . 1 1 51 51 ASN H H 51 7.953 7.953 7.591 0.362 18504 3601 1 8 . 1 1 52 52 ASN N N 52 118.893 118.893 119.600 -0.707 18504 3602 1 8 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.486 -0.071 18504 3603 1 8 . 1 1 52 52 ASN C C 52 176.434 176.434 177.276 -0.842 18504 3604 1 8 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.456 0.314 18504 3605 1 8 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.394 -0.041 18504 3606 1 8 . 1 1 52 52 ASN H H 52 8.347 8.347 8.068 0.279 18504 3607 1 8 . 1 1 53 53 ALA N N 53 122.291 122.291 121.689 0.602 18504 3608 1 8 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.051 0.463 18504 3609 1 8 . 1 1 53 53 ALA C C 53 180.689 180.689 179.077 1.612 18504 3610 1 8 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.088 -0.187 18504 3611 1 8 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.580 -0.679 18504 3612 1 8 . 1 1 53 53 ALA H H 53 7.706 7.706 8.568 -0.862 18504 3613 1 8 . 1 1 54 54 LYS N N 54 119.091 119.091 118.114 0.977 18504 3614 1 8 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.070 -0.233 18504 3615 1 8 . 1 1 54 54 LYS C C 54 178.066 178.066 178.621 -0.555 18504 3616 1 8 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.135 1.171 18504 3617 1 8 . 1 1 54 54 LYS CB C 54 32.088 32.088 31.959 0.129 18504 3618 1 8 . 1 1 54 54 LYS H H 54 8.375 8.375 7.369 1.006 18504 3619 1 8 . 1 1 55 55 LYS N N 55 119.370 119.370 119.359 0.011 18504 3620 1 8 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.977 -0.104 18504 3621 1 8 . 1 1 55 55 LYS C C 55 179.819 179.819 178.973 0.846 18504 3622 1 8 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.477 0.809 18504 3623 1 8 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.177 -0.187 18504 3624 1 8 . 1 1 55 55 LYS H H 55 8.259 8.259 7.733 0.526 18504 3625 1 8 . 1 1 56 56 ASN N N 56 119.303 119.303 118.167 1.136 18504 3626 1 8 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.265 0.144 18504 3627 1 8 . 1 1 56 56 ASN C C 56 178.899 178.899 177.468 1.431 18504 3628 1 8 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.680 0.060 18504 3629 1 8 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.180 -1.077 18504 3630 1 8 . 1 1 56 56 ASN H H 56 8.235 8.235 7.742 0.493 18504 3631 1 8 . 1 1 57 57 LEU N N 57 123.252 123.252 121.518 1.734 18504 3632 1 8 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.278 0.404 18504 3633 1 8 . 1 1 57 57 LEU C C 57 178.541 178.541 179.262 -0.721 18504 3634 1 8 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.740 -0.541 18504 3635 1 8 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.980 0.646 18504 3636 1 8 . 1 1 57 57 LEU H H 57 8.210 8.210 7.797 0.413 18504 3637 1 8 . 1 1 58 58 GLU N N 58 118.795 118.795 117.742 1.053 18504 3638 1 8 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.964 0.039 18504 3639 1 8 . 1 1 58 58 GLU C C 58 177.333 177.333 178.924 -1.591 18504 3640 1 8 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.560 1.585 18504 3641 1 8 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.161 1.151 18504 3642 1 8 . 1 1 58 58 GLU H H 58 8.846 8.846 7.985 0.861 18504 3643 1 8 . 1 1 59 59 LYS N N 59 118.325 118.325 119.715 -1.390 18504 3644 1 8 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.944 0.531 18504 3645 1 8 . 1 1 59 59 LYS C C 59 178.428 178.428 179.234 -0.806 18504 3646 1 8 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.405 0.740 18504 3647 1 8 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.180 0.508 18504 3648 1 8 . 1 1 59 59 LYS H H 59 8.373 8.373 7.569 0.804 18504 3649 1 8 . 1 1 60 60 TYR N N 60 119.345 119.345 117.307 2.038 18504 3650 1 8 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.576 -0.249 18504 3651 1 8 . 1 1 60 60 TYR C C 60 178.899 178.899 178.353 0.546 18504 3652 1 8 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.833 2.562 18504 3653 1 8 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.345 -0.051 18504 3654 1 8 . 1 1 60 60 TYR H H 60 7.532 7.532 7.428 0.104 18504 3655 1 8 . 1 1 61 61 PHE N N 61 118.931 118.931 120.224 -1.293 18504 3656 1 8 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.200 0.128 18504 3657 1 8 . 1 1 61 61 PHE C C 61 178.450 178.450 177.778 0.672 18504 3658 1 8 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.183 1.211 18504 3659 1 8 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.350 -1.427 18504 3660 1 8 . 1 1 61 61 PHE H H 61 8.607 8.607 8.126 0.481 18504 3661 1 8 . 1 1 62 62 LYS N N 62 118.337 118.337 119.598 -1.261 18504 3662 1 8 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.394 -0.092 18504 3663 1 8 . 1 1 62 62 LYS C C 62 178.333 178.333 177.737 0.596 18504 3664 1 8 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.881 0.430 18504 3665 1 8 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.670 0.179 18504 3666 1 8 . 1 1 62 62 LYS H H 62 8.615 8.615 8.572 0.043 18504 3667 1 8 . 1 1 63 63 GLU N N 63 116.360 116.360 117.186 -0.826 18504 3668 1 8 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.257 -0.331 18504 3669 1 8 . 1 1 63 63 GLU C C 63 177.317 177.317 177.585 -0.268 18504 3670 1 8 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.020 0.296 18504 3671 1 8 . 1 1 63 63 GLU CB C 63 29.356 29.356 31.351 -1.995 18504 3672 1 8 . 1 1 63 63 GLU H H 63 7.547 7.547 7.885 -0.338 18504 3673 1 8 . 1 1 64 64 HIS N N 64 113.580 113.580 114.456 -0.876 18504 3674 1 8 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.791 -0.370 18504 3675 1 8 . 1 1 64 64 HIS C C 64 173.911 173.911 174.906 -0.995 18504 3676 1 8 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.403 2.679 18504 3677 1 8 . 1 1 64 64 HIS CB C 64 31.835 31.835 31.589 0.246 18504 3678 1 8 . 1 1 64 64 HIS H H 64 7.013 7.013 8.219 -1.206 18504 3679 1 8 . 1 1 65 65 PHE N N 65 119.434 119.434 119.373 0.061 18504 3680 1 8 . 1 1 65 65 PHE HA H 65 4.936 4.936 3.742 1.194 18504 3681 1 8 . 1 1 65 65 PHE C C 65 175.232 175.232 174.262 0.970 18504 3682 1 8 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.376 -2.153 18504 3683 1 8 . 1 1 65 65 PHE CB C 65 40.362 40.362 38.460 1.902 18504 3684 1 8 . 1 1 65 65 PHE H H 65 8.340 8.340 7.881 0.459 18504 3685 1 8 . 1 1 66 66 LYS N N 66 123.217 123.217 119.886 3.331 18504 3686 1 8 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.490 0.798 18504 3687 1 8 . 1 1 66 66 LYS C C 66 177.685 177.685 174.885 2.800 18504 3688 1 8 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.535 2.264 18504 3689 1 8 . 1 1 66 66 LYS CB C 66 32.473 32.473 32.275 0.198 18504 3690 1 8 . 1 1 66 66 LYS H H 66 8.590 8.590 6.244 2.346 18504 3691 1 8 . 1 1 67 67 GLU N N 67 117.085 117.085 122.096 -5.011 18504 3692 1 8 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.222 0.139 18504 3693 1 8 . 1 1 67 67 GLU C C 67 175.770 175.770 175.136 0.634 18504 3694 1 8 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.945 -0.581 18504 3695 1 8 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.273 -1.170 18504 3696 1 8 . 1 1 67 67 GLU H H 67 8.969 8.969 8.289 0.680 18504 3697 1 8 . 1 1 68 68 PHE N N 68 121.127 121.127 116.337 4.790 18504 3698 1 8 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.497 -0.225 18504 3699 1 8 . 1 1 68 68 PHE C C 68 173.621 173.621 174.777 -1.156 18504 3700 1 8 . 1 1 68 68 PHE CA C 68 59.096 59.096 58.553 0.542 18504 3701 1 8 . 1 1 68 68 PHE CB C 68 40.772 40.772 39.723 1.049 18504 3702 1 8 . 1 1 68 68 PHE H H 68 7.752 7.752 8.086 -0.334 18504 3703 1 8 . 1 1 69 69 ASP N N 69 125.720 125.720 119.873 5.847 18504 3704 1 8 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.756 -0.153 18504 3705 1 8 . 1 1 69 69 ASP C C 69 173.387 173.387 175.569 -2.182 18504 3706 1 8 . 1 1 69 69 ASP CA C 69 54.881 54.881 52.891 1.990 18504 3707 1 8 . 1 1 69 69 ASP CB C 69 41.806 41.806 41.412 0.394 18504 3708 1 8 . 1 1 69 69 ASP H H 69 7.767 7.767 7.713 0.054 18504 3709 1 8 . 1 1 70 70 LYS N N 70 115.004 115.004 120.706 -5.702 18504 3710 1 8 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.610 -0.161 18504 3711 1 8 . 1 1 70 70 LYS C C 70 175.841 175.841 175.139 0.702 18504 3712 1 8 . 1 1 70 70 LYS CA C 70 55.486 55.486 55.112 0.374 18504 3713 1 8 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.523 -0.742 18504 3714 1 8 . 1 1 70 70 LYS H H 70 7.305 7.305 8.008 -0.703 18504 3715 1 8 . 1 1 71 71 ILE N N 71 122.809 122.809 121.209 1.600 18504 3716 1 8 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.335 0.374 18504 3717 1 8 . 1 1 71 71 ILE C C 71 175.120 175.120 174.183 0.937 18504 3718 1 8 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.254 -1.002 18504 3719 1 8 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.764 -1.462 18504 3720 1 8 . 1 1 71 71 ILE H H 71 9.522 9.522 8.452 1.070 18504 3721 1 8 . 1 1 72 72 SER N N 72 121.741 121.741 126.398 -4.657 18504 3722 1 8 . 1 1 72 72 SER HA H 72 4.920 4.920 5.000 -0.080 18504 3723 1 8 . 1 1 72 72 SER C C 72 172.157 172.157 173.081 -0.924 18504 3724 1 8 . 1 1 72 72 SER CA C 72 57.730 57.730 57.504 0.226 18504 3725 1 8 . 1 1 72 72 SER CB C 72 65.634 65.634 64.147 1.487 18504 3726 1 8 . 1 1 72 72 SER H H 72 8.760 8.760 8.701 0.059 18504 3727 1 8 . 1 1 73 73 TYR N N 73 118.245 118.245 120.696 -2.451 18504 3728 1 8 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.960 0.761 18504 3729 1 8 . 1 1 73 73 TYR C C 73 173.231 173.231 174.071 -0.840 18504 3730 1 8 . 1 1 73 73 TYR CA C 73 56.230 56.230 55.763 0.467 18504 3731 1 8 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.248 1.135 18504 3732 1 8 . 1 1 73 73 TYR H H 73 8.275 8.275 8.541 -0.266 18504 3733 1 8 . 1 1 74 74 ASP N N 74 120.379 120.379 121.018 -0.639 18504 3734 1 8 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.749 0.306 18504 3735 1 8 . 1 1 74 74 ASP C C 74 174.827 174.827 173.781 1.046 18504 3736 1 8 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.531 0.070 18504 3737 1 8 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.026 0.614 18504 3738 1 8 . 1 1 74 74 ASP H H 74 9.332 9.332 8.631 0.701 18504 3739 1 8 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.327 0.257 18504 3740 1 8 . 1 1 75 75 ILE C C 75 177.411 177.411 174.548 2.863 18504 3741 1 8 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.524 -1.315 18504 3742 1 8 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.166 0.602 18504 3743 1 8 . 1 1 75 75 ILE H H 75 7.501 7.501 8.349 -0.848 18504 3744 1 8 . 1 1 76 76 SER N N 76 117.836 117.836 126.171 -8.335 18504 3745 1 8 . 1 1 76 76 SER HA H 76 5.450 5.450 4.736 0.714 18504 3746 1 8 . 1 1 76 76 SER C C 76 173.767 173.767 173.690 0.077 18504 3747 1 8 . 1 1 76 76 SER CA C 76 57.758 57.758 58.483 -0.725 18504 3748 1 8 . 1 1 76 76 SER CB C 76 64.462 64.462 63.762 0.700 18504 3749 1 8 . 1 1 76 76 SER H H 76 9.050 9.050 8.472 0.578 18504 3750 1 8 . 1 1 77 77 THR N N 77 117.435 117.435 120.412 -2.977 18504 3751 1 8 . 1 1 77 77 THR HA H 77 4.959 4.959 4.067 0.892 18504 3752 1 8 . 1 1 77 77 THR C C 77 172.636 172.636 173.471 -0.835 18504 3753 1 8 . 1 1 77 77 THR CA C 77 58.870 58.870 62.024 -3.154 18504 3754 1 8 . 1 1 77 77 THR CB C 77 69.935 69.935 67.898 2.037 18504 3755 1 8 . 1 1 77 77 THR H H 77 8.601 8.601 8.483 0.118 18504 3756 1 8 . 1 1 78 78 PRO C C 78 179.328 179.328 176.597 2.731 18504 3757 1 8 . 1 1 78 78 PRO CA C 78 63.483 63.483 65.106 -1.623 18504 3758 1 8 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.892 0.270 18504 3759 1 8 . 1 1 79 79 ILE N N 79 120.707 120.707 109.966 10.741 18504 3760 1 8 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.399 0.222 18504 3761 1 8 . 1 1 79 79 ILE C C 79 177.212 177.212 173.813 3.399 18504 3762 1 8 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.526 5.396 18504 3763 1 8 . 1 1 79 79 ILE CB C 79 37.468 37.468 38.173 -0.705 18504 3764 1 8 . 1 1 79 79 ILE H H 79 8.227 8.227 7.465 0.762 18504 3765 1 8 . 1 1 80 80 ASN N N 80 118.168 118.168 121.572 -3.404 18504 3766 1 8 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.749 -0.319 18504 3767 1 8 . 1 1 80 80 ASN C C 80 178.172 178.172 172.998 5.174 18504 3768 1 8 . 1 1 80 80 ASN CA C 80 56.763 56.763 53.451 3.312 18504 3769 1 8 . 1 1 80 80 ASN CB C 80 38.087 38.087 40.805 -2.718 18504 3770 1 8 . 1 1 80 80 ASN H H 80 8.466 8.466 7.927 0.539 18504 3771 1 8 . 1 1 81 81 PHE N N 81 129.059 129.059 116.554 12.505 18504 3772 1 8 . 1 1 81 81 PHE C C 81 174.016 174.016 173.490 0.526 18504 3773 1 8 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.216 -2.397 18504 3774 1 8 . 1 1 81 81 PHE CB C 81 39.773 39.773 43.400 -3.627 18504 3775 1 8 . 1 1 81 81 PHE H H 81 9.152 9.152 7.799 1.353 18504 3776 1 8 . 1 1 82 82 LEU N N 82 124.640 124.640 121.438 3.202 18504 3777 1 8 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.832 0.161 18504 3778 1 8 . 1 1 82 82 LEU C C 82 173.695 173.695 174.552 -0.857 18504 3779 1 8 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.696 0.054 18504 3780 1 8 . 1 1 82 82 LEU CB C 82 44.936 44.936 44.643 0.293 18504 3781 1 8 . 1 1 82 82 LEU H H 82 9.147 9.147 8.481 0.666 18504 3782 1 8 . 1 1 83 83 CYS N N 83 126.066 126.066 125.903 0.163 18504 3783 1 8 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.536 0.702 18504 3784 1 8 . 1 1 83 83 CYS C C 83 173.733 173.733 172.930 0.803 18504 3785 1 8 . 1 1 83 83 CYS CA C 83 56.361 56.361 58.758 -2.397 18504 3786 1 8 . 1 1 83 83 CYS CB C 83 28.374 28.374 30.117 -1.743 18504 3787 1 8 . 1 1 83 83 CYS H H 83 9.065 9.065 8.342 0.723 18504 3788 1 8 . 1 1 84 84 ILE N N 84 126.110 126.110 125.565 0.545 18504 3789 1 8 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.430 -0.071 18504 3790 1 8 . 1 1 84 84 ILE C C 84 174.745 174.745 173.540 1.205 18504 3791 1 8 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.732 -0.213 18504 3792 1 8 . 1 1 84 84 ILE CB C 84 40.358 40.358 40.340 0.018 18504 3793 1 8 . 1 1 84 84 ILE H H 84 9.426 9.426 7.975 1.451 18504 3794 1 8 . 1 1 85 85 PHE N N 85 126.315 126.315 126.899 -0.584 18504 3795 1 8 . 1 1 85 85 PHE HA H 85 5.019 5.019 5.034 -0.015 18504 3796 1 8 . 1 1 85 85 PHE C C 85 175.358 175.358 174.841 0.517 18504 3797 1 8 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.446 1.285 18504 3798 1 8 . 1 1 85 85 PHE CB C 85 38.742 38.742 41.253 -2.511 18504 3799 1 8 . 1 1 85 85 PHE H H 85 8.337 8.337 8.885 -0.548 18504 3800 1 8 . 1 1 86 86 ILE N N 86 126.561 126.561 125.457 1.104 18504 3801 1 8 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.829 0.074 18504 3802 1 8 . 1 1 86 86 ILE C C 86 173.967 173.967 173.703 0.264 18504 3803 1 8 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.069 -1.683 18504 3804 1 8 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.396 -1.585 18504 3805 1 8 . 1 1 86 86 ILE H H 86 9.161 9.161 9.235 -0.074 18504 3806 1 8 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.894 0.128 18504 3807 1 8 . 1 1 87 87 PRO C C 87 177.938 177.938 175.887 2.051 18504 3808 1 8 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.236 0.272 18504 3809 1 8 . 1 1 87 87 PRO CB C 87 32.534 32.534 32.229 0.305 18504 3810 1 8 . 1 1 88 88 THR N N 88 113.282 113.282 116.650 -3.368 18504 3811 1 8 . 1 1 88 88 THR HA H 88 4.486 4.486 4.636 -0.150 18504 3812 1 8 . 1 1 88 88 THR C C 88 176.082 176.082 174.707 1.375 18504 3813 1 8 . 1 1 88 88 THR CA C 88 60.306 60.306 61.089 -0.783 18504 3814 1 8 . 1 1 88 88 THR CB C 88 66.727 66.727 71.368 -4.641 18504 3815 1 8 . 1 1 88 88 THR H H 88 8.003 8.003 8.109 -0.106 18504 3816 1 8 . 1 1 89 89 LEU N N 89 122.317 122.317 129.393 -7.076 18504 3817 1 8 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.294 -0.285 18504 3818 1 8 . 1 1 89 89 LEU C C 89 175.776 175.776 176.701 -0.925 18504 3819 1 8 . 1 1 89 89 LEU CA C 89 53.969 53.969 56.383 -2.413 18504 3820 1 8 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.776 -0.780 18504 3821 1 8 . 1 1 89 89 LEU H H 89 7.822 7.822 9.044 -1.222 18504 3822 1 8 . 1 1 90 90 PHE N N 90 114.801 114.801 117.832 -3.031 18504 3823 1 8 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.050 1.510 18504 3824 1 8 . 1 1 90 90 PHE C C 90 175.869 175.869 173.874 1.995 18504 3825 1 8 . 1 1 90 90 PHE CA C 90 55.096 55.096 59.347 -4.251 18504 3826 1 8 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.797 1.310 18504 3827 1 8 . 1 1 90 90 PHE H H 90 7.110 7.110 7.603 -0.493 18504 3828 1 8 . 1 1 91 91 ASP N N 91 127.244 127.244 123.332 3.912 18504 3829 1 8 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.138 0.419 18504 3830 1 8 . 1 1 91 91 ASP C C 91 175.684 175.684 176.493 -0.809 18504 3831 1 8 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.397 -1.428 18504 3832 1 8 . 1 1 91 91 ASP CB C 91 42.216 42.216 40.799 1.417 18504 3833 1 8 . 1 1 91 91 ASP H H 91 9.852 9.852 7.831 2.021 18504 3834 1 8 . 1 1 92 92 MET N N 92 113.730 113.730 119.544 -5.814 18504 3835 1 8 . 1 1 92 92 MET HA H 92 4.278 4.278 4.133 0.145 18504 3836 1 8 . 1 1 92 92 MET C C 92 177.571 177.571 176.058 1.513 18504 3837 1 8 . 1 1 92 92 MET CA C 92 58.815 58.815 56.200 2.615 18504 3838 1 8 . 1 1 92 92 MET CB C 92 32.010 32.010 32.015 -0.005 18504 3839 1 8 . 1 1 92 92 MET H H 92 8.574 8.574 8.180 0.394 18504 3840 1 8 . 1 1 93 93 ASN N N 93 115.175 115.175 115.990 -0.815 18504 3841 1 8 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.763 -0.014 18504 3842 1 8 . 1 1 93 93 ASN C C 93 176.300 176.300 175.757 0.543 18504 3843 1 8 . 1 1 93 93 ASN CA C 93 55.193 55.193 52.772 2.421 18504 3844 1 8 . 1 1 93 93 ASN CB C 93 39.426 39.426 37.865 1.561 18504 3845 1 8 . 1 1 93 93 ASN H H 93 8.576 8.576 8.017 0.559 18504 3846 1 8 . 1 1 94 94 ASN N N 94 119.005 119.005 120.161 -1.156 18504 3847 1 8 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.552 0.639 18504 3848 1 8 . 1 1 94 94 ASN C C 94 177.230 177.230 176.042 1.188 18504 3849 1 8 . 1 1 94 94 ASN CA C 94 52.631 52.631 55.555 -2.924 18504 3850 1 8 . 1 1 94 94 ASN CB C 94 38.093 38.093 38.589 -0.496 18504 3851 1 8 . 1 1 94 94 ASN H H 94 8.049 8.049 7.705 0.344 18504 3852 1 8 . 1 1 95 95 MET N N 95 117.771 117.771 117.357 0.414 18504 3853 1 8 . 1 1 95 95 MET HA H 95 4.048 4.048 4.520 -0.472 18504 3854 1 8 . 1 1 95 95 MET C C 95 178.005 178.005 175.205 2.800 18504 3855 1 8 . 1 1 95 95 MET CA C 95 58.275 58.275 55.343 2.933 18504 3856 1 8 . 1 1 95 95 MET CB C 95 32.327 32.327 32.838 -0.511 18504 3857 1 8 . 1 1 95 95 MET H H 95 7.489 7.489 7.709 -0.220 18504 3858 1 8 . 1 1 96 96 ASP N N 96 115.629 115.629 120.021 -4.392 18504 3859 1 8 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.444 0.159 18504 3860 1 8 . 1 1 96 96 ASP C C 96 175.593 175.593 175.011 0.582 18504 3861 1 8 . 1 1 96 96 ASP CA C 96 54.940 54.940 55.556 -0.616 18504 3862 1 8 . 1 1 96 96 ASP CB C 96 39.445 39.445 40.575 -1.130 18504 3863 1 8 . 1 1 96 96 ASP H H 96 7.777 7.777 8.275 -0.498 18504 3864 1 8 . 1 1 97 97 LEU N N 97 116.343 116.343 124.995 -8.652 18504 3865 1 8 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.585 0.032 18504 3866 1 8 . 1 1 97 97 LEU C C 97 174.835 174.835 177.638 -2.803 18504 3867 1 8 . 1 1 97 97 LEU CA C 97 54.433 54.433 54.973 -0.540 18504 3868 1 8 . 1 1 97 97 LEU CB C 97 39.082 39.082 43.215 -4.133 18504 3869 1 8 . 1 1 97 97 LEU H H 97 8.027 8.027 8.753 -0.726 18504 3870 1 8 . 1 1 98 98 LEU N N 98 118.769 118.769 121.906 -3.137 18504 3871 1 8 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.036 -0.672 18504 3872 1 8 . 1 1 98 98 LEU C C 98 177.586 177.586 178.202 -0.616 18504 3873 1 8 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.347 0.872 18504 3874 1 8 . 1 1 98 98 LEU CB C 98 39.100 39.100 40.474 -1.373 18504 3875 1 8 . 1 1 98 98 LEU H H 98 7.798 7.798 8.249 -0.451 18504 3876 1 8 . 1 1 99 99 LYS N N 99 117.567 117.567 119.469 -1.902 18504 3877 1 8 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.890 -0.474 18504 3878 1 8 . 1 1 99 99 LYS C C 99 177.639 177.639 178.991 -1.352 18504 3879 1 8 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.494 1.339 18504 3880 1 8 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.765 0.279 18504 3881 1 8 . 1 1 99 99 LYS H H 99 7.603 7.603 8.247 -0.644 18504 3882 1 8 . 1 1 100 100 GLN N N 100 114.564 114.564 118.157 -3.593 18504 3883 1 8 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.151 -0.339 18504 3884 1 8 . 1 1 100 100 GLN C C 100 178.165 178.165 178.088 0.077 18504 3885 1 8 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.724 0.060 18504 3886 1 8 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.834 -1.351 18504 3887 1 8 . 1 1 100 100 GLN H H 100 7.625 7.625 7.692 -0.067 18504 3888 1 8 . 1 1 101 101 ALA N N 101 121.499 121.499 123.098 -1.599 18504 3889 1 8 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.215 -0.927 18504 3890 1 8 . 1 1 101 101 ALA C C 101 178.865 178.865 179.668 -0.803 18504 3891 1 8 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.856 0.108 18504 3892 1 8 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.397 -0.536 18504 3893 1 8 . 1 1 101 101 ALA H H 101 7.355 7.355 8.040 -0.685 18504 3894 1 8 . 1 1 102 102 LEU N N 102 115.061 115.061 119.396 -4.335 18504 3895 1 8 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.163 0.603 18504 3896 1 8 . 1 1 102 102 LEU C C 102 179.324 179.324 178.877 0.447 18504 3897 1 8 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.676 -0.180 18504 3898 1 8 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.416 0.312 18504 3899 1 8 . 1 1 102 102 LEU H H 102 7.941 7.941 8.158 -0.217 18504 3900 1 8 . 1 1 103 103 LEU N N 103 115.920 115.920 120.009 -4.089 18504 3901 1 8 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.167 0.670 18504 3902 1 8 . 1 1 103 103 LEU C C 103 178.500 178.500 179.133 -0.633 18504 3903 1 8 . 1 1 103 103 LEU CA C 103 54.889 54.889 58.649 -3.760 18504 3904 1 8 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.074 1.692 18504 3905 1 8 . 1 1 103 103 LEU H H 103 8.266 8.266 8.007 0.259 18504 3906 1 8 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.202 0.433 18504 3907 1 8 . 1 1 105 105 LEU C C 105 175.743 175.743 178.392 -2.649 18504 3908 1 8 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.645 -0.548 18504 3909 1 8 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.518 -1.740 18504 3910 1 8 . 1 1 106 106 HIS N N 106 122.167 122.167 119.910 2.257 18504 3911 1 8 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.163 0.103 18504 3912 1 8 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.107 -2.993 18504 3913 1 8 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.424 -0.299 18504 3914 1 8 . 1 1 106 106 HIS H H 106 8.252 8.252 7.680 0.572 18504 3915 1 8 . 1 1 107 107 ASN C C 107 179.694 179.694 177.519 2.175 18504 3916 1 8 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.898 1.433 18504 3917 1 8 . 1 1 107 107 ASN CB C 107 41.997 41.997 37.916 4.081 18504 3918 1 8 . 1 1 108 108 ASP N N 108 122.462 122.462 120.751 1.711 18504 3919 1 8 . 1 1 108 108 ASP C C 108 179.328 179.328 177.937 1.391 18504 3920 1 8 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.959 0.730 18504 3921 1 8 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.084 0.956 18504 3922 1 8 . 1 1 108 108 ASP H H 108 8.174 8.174 7.638 0.536 18504 3923 1 8 . 1 1 109 109 LEU N N 109 115.664 115.664 118.257 -2.593 18504 3924 1 8 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.090 0.762 18504 3925 1 8 . 1 1 109 109 LEU C C 109 178.510 178.510 178.378 0.132 18504 3926 1 8 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.647 -1.493 18504 3927 1 8 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.076 2.072 18504 3928 1 8 . 1 1 109 109 LEU H H 109 8.380 8.380 7.634 0.746 18504 3929 1 8 . 1 1 110 110 HIS N N 110 118.905 118.905 117.793 1.112 18504 3930 1 8 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.203 -0.293 18504 3931 1 8 . 1 1 110 110 HIS C C 110 176.152 176.152 176.084 0.068 18504 3932 1 8 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.438 2.574 18504 3933 1 8 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.987 -1.875 18504 3934 1 8 . 1 1 110 110 HIS H H 110 8.518 8.518 8.239 0.279 18504 3935 1 8 . 1 1 111 111 GLU N N 111 117.923 117.923 116.182 1.741 18504 3936 1 8 . 1 1 111 111 GLU HA H 111 3.731 3.731 3.990 -0.259 18504 3937 1 8 . 1 1 111 111 GLU C C 111 176.596 176.596 176.595 0.001 18504 3938 1 8 . 1 1 111 111 GLU CA C 111 58.394 58.394 57.938 0.456 18504 3939 1 8 . 1 1 111 111 GLU CB C 111 29.044 29.044 31.188 -2.144 18504 3940 1 8 . 1 1 111 111 GLU H H 111 8.018 8.018 7.756 0.262 18504 3941 1 8 . 1 1 112 112 TYR N N 112 114.607 114.607 114.803 -0.196 18504 3942 1 8 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.302 0.135 18504 3943 1 8 . 1 1 112 112 TYR C C 112 174.448 174.448 174.407 0.041 18504 3944 1 8 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.132 -1.360 18504 3945 1 8 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.559 0.429 18504 3946 1 8 . 1 1 112 112 TYR H H 112 7.905 7.905 7.722 0.183 18504 3947 1 8 . 1 1 113 113 VAL N N 113 118.003 118.003 120.926 -2.923 18504 3948 1 8 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.796 0.310 18504 3949 1 8 . 1 1 113 113 VAL C C 113 175.134 175.134 175.001 0.133 18504 3950 1 8 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.772 -1.085 18504 3951 1 8 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.255 2.973 18504 3952 1 8 . 1 1 113 113 VAL H H 113 6.976 6.976 8.254 -1.278 18504 3953 1 9 . 1 1 27 27 SER HA H 27 4.339 4.339 4.028 0.311 18504 3954 1 9 . 1 1 27 27 SER C C 27 175.743 175.743 173.485 2.258 18504 3955 1 9 . 1 1 27 27 SER CA C 27 60.497 60.497 61.497 -1.000 18504 3956 1 9 . 1 1 27 27 SER CB C 27 63.659 63.659 62.755 0.904 18504 3957 1 9 . 1 1 28 28 LYS N N 28 118.099 118.099 123.503 -5.404 18504 3958 1 9 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.587 0.631 18504 3959 1 9 . 1 1 28 28 LYS C C 28 175.699 175.699 175.007 0.692 18504 3960 1 9 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.783 -0.238 18504 3961 1 9 . 1 1 28 28 LYS CB C 28 35.913 35.913 33.797 2.116 18504 3962 1 9 . 1 1 28 28 LYS H H 28 7.785 7.785 8.152 -0.367 18504 3963 1 9 . 1 1 29 29 GLN N N 29 122.481 122.481 123.156 -0.675 18504 3964 1 9 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.660 0.078 18504 3965 1 9 . 1 1 29 29 GLN C C 29 174.277 174.277 173.522 0.755 18504 3966 1 9 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.850 0.675 18504 3967 1 9 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.145 -0.275 18504 3968 1 9 . 1 1 29 29 GLN H H 29 9.283 9.283 8.320 0.963 18504 3969 1 9 . 1 1 30 30 GLU N N 30 122.881 122.881 121.922 0.959 18504 3970 1 9 . 1 1 30 30 GLU HA H 30 4.276 4.276 5.335 -1.059 18504 3971 1 9 . 1 1 30 30 GLU C C 30 173.313 173.313 174.943 -1.630 18504 3972 1 9 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.453 1.501 18504 3973 1 9 . 1 1 30 30 GLU CB C 30 31.054 31.054 32.875 -1.821 18504 3974 1 9 . 1 1 30 30 GLU H H 30 9.188 9.188 8.571 0.617 18504 3975 1 9 . 1 1 31 31 LEU N N 31 130.328 130.328 124.978 5.350 18504 3976 1 9 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.752 -0.459 18504 3977 1 9 . 1 1 31 31 LEU C C 31 171.909 171.909 176.170 -4.261 18504 3978 1 9 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.697 -0.416 18504 3979 1 9 . 1 1 31 31 LEU CB C 31 42.450 42.450 43.654 -1.204 18504 3980 1 9 . 1 1 31 31 LEU H H 31 9.016 9.016 8.509 0.507 18504 3981 1 9 . 1 1 32 32 ILE N N 32 120.632 120.632 122.252 -1.620 18504 3982 1 9 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.104 1.424 18504 3983 1 9 . 1 1 32 32 ILE C C 32 175.735 175.735 175.106 0.629 18504 3984 1 9 . 1 1 32 32 ILE CA C 32 59.224 59.224 61.352 -2.128 18504 3985 1 9 . 1 1 32 32 ILE CB C 32 36.625 36.625 38.038 -1.413 18504 3986 1 9 . 1 1 32 32 ILE H H 32 8.738 8.738 8.416 0.322 18504 3987 1 9 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.732 -0.735 18504 3988 1 9 . 1 1 33 33 LEU C C 33 180.030 180.030 175.086 4.944 18504 3989 1 9 . 1 1 33 33 LEU CA C 33 58.333 58.333 52.993 5.340 18504 3990 1 9 . 1 1 33 33 LEU CB C 33 41.433 41.433 44.986 -3.553 18504 3991 1 9 . 1 1 34 34 VAL N N 34 124.025 124.025 117.641 6.384 18504 3992 1 9 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.103 -0.486 18504 3993 1 9 . 1 1 34 34 VAL C C 34 178.222 178.222 174.317 3.905 18504 3994 1 9 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.445 4.677 18504 3995 1 9 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.916 4.026 18504 3996 1 9 . 1 1 34 34 VAL H H 34 7.751 7.751 8.104 -0.353 18504 3997 1 9 . 1 1 35 35 LEU N N 35 120.009 120.009 127.216 -7.207 18504 3998 1 9 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.475 -0.199 18504 3999 1 9 . 1 1 35 35 LEU C C 35 175.855 175.855 176.166 -0.311 18504 4000 1 9 . 1 1 35 35 LEU CA C 35 57.375 57.375 54.687 2.688 18504 4001 1 9 . 1 1 35 35 LEU CB C 35 43.089 43.089 43.463 -0.374 18504 4002 1 9 . 1 1 35 35 LEU H H 35 7.532 7.532 7.920 -0.388 18504 4003 1 9 . 1 1 36 36 LYS N N 36 115.805 115.805 120.252 -4.447 18504 4004 1 9 . 1 1 36 36 LYS C C 36 178.903 178.903 175.851 3.052 18504 4005 1 9 . 1 1 36 36 LYS CA C 36 58.347 58.347 55.184 3.163 18504 4006 1 9 . 1 1 36 36 LYS CB C 36 32.903 32.903 34.166 -1.263 18504 4007 1 9 . 1 1 36 36 LYS H H 36 7.501 7.501 8.334 -0.833 18504 4008 1 9 . 1 1 37 37 GLY N N 37 110.626 110.626 111.783 -1.157 18504 4009 1 9 . 1 1 37 37 GLY C C 37 174.865 174.865 173.998 0.867 18504 4010 1 9 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.039 2.427 18504 4011 1 9 . 1 1 37 37 GLY H H 37 8.811 8.811 8.596 0.215 18504 4012 1 9 . 1 1 38 38 GLU N N 38 116.098 116.098 125.528 -9.430 18504 4013 1 9 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.509 -0.207 18504 4014 1 9 . 1 1 38 38 GLU C C 38 176.681 176.681 176.631 0.050 18504 4015 1 9 . 1 1 38 38 GLU CA C 38 57.184 57.184 54.921 2.263 18504 4016 1 9 . 1 1 38 38 GLU CB C 38 28.829 28.829 29.215 -0.386 18504 4017 1 9 . 1 1 38 38 GLU H H 38 8.763 8.763 8.129 0.634 18504 4018 1 9 . 1 1 39 39 LEU N N 39 119.439 119.439 123.159 -3.720 18504 4019 1 9 . 1 1 39 39 LEU HA H 39 4.266 4.266 3.756 0.510 18504 4020 1 9 . 1 1 39 39 LEU C C 39 176.016 176.016 177.125 -1.109 18504 4021 1 9 . 1 1 39 39 LEU CA C 39 54.725 54.725 57.046 -2.321 18504 4022 1 9 . 1 1 39 39 LEU CB C 39 43.602 43.602 41.450 2.152 18504 4023 1 9 . 1 1 39 39 LEU H H 39 7.167 7.167 8.721 -1.554 18504 4024 1 9 . 1 1 40 40 ASP N N 40 120.105 120.105 121.000 -0.895 18504 4025 1 9 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.755 -0.027 18504 4026 1 9 . 1 1 40 40 ASP C C 40 178.198 178.198 176.196 2.002 18504 4027 1 9 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.575 -1.385 18504 4028 1 9 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.011 -0.454 18504 4029 1 9 . 1 1 40 40 ASP H H 40 8.596 8.596 8.050 0.546 18504 4030 1 9 . 1 1 41 41 LEU N N 41 125.023 125.023 128.103 -3.080 18504 4031 1 9 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.486 -0.733 18504 4032 1 9 . 1 1 41 41 LEU C C 41 175.113 175.113 176.367 -1.254 18504 4033 1 9 . 1 1 41 41 LEU CA C 41 56.667 56.667 54.952 1.715 18504 4034 1 9 . 1 1 41 41 LEU CB C 41 39.849 39.849 41.506 -1.657 18504 4035 1 9 . 1 1 41 41 LEU H H 41 9.029 9.029 8.753 0.276 18504 4036 1 9 . 1 1 42 42 HIS N N 42 113.184 113.184 123.001 -9.817 18504 4037 1 9 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.754 -0.230 18504 4038 1 9 . 1 1 42 42 HIS C C 42 175.855 175.855 173.989 1.866 18504 4039 1 9 . 1 1 42 42 HIS CA C 42 55.916 55.916 53.855 2.061 18504 4040 1 9 . 1 1 42 42 HIS CB C 42 30.137 30.137 29.690 0.447 18504 4041 1 9 . 1 1 42 42 HIS H H 42 8.065 8.065 7.924 0.141 18504 4042 1 9 . 1 1 43 43 SER N N 43 116.013 116.013 112.390 3.623 18504 4043 1 9 . 1 1 43 43 SER HA H 43 4.524 4.524 4.149 0.375 18504 4044 1 9 . 1 1 43 43 SER C C 43 174.426 174.426 174.661 -0.235 18504 4045 1 9 . 1 1 43 43 SER CA C 43 58.206 58.206 58.946 -0.740 18504 4046 1 9 . 1 1 43 43 SER CB C 43 65.517 65.517 62.169 3.348 18504 4047 1 9 . 1 1 43 43 SER H H 43 7.511 7.511 8.226 -0.715 18504 4048 1 9 . 1 1 44 44 LYS N N 44 123.332 123.332 122.582 0.750 18504 4049 1 9 . 1 1 44 44 LYS C C 44 177.791 177.791 177.743 0.048 18504 4050 1 9 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.417 1.039 18504 4051 1 9 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.556 -2.384 18504 4052 1 9 . 1 1 44 44 LYS H H 44 8.846 8.846 8.610 0.236 18504 4053 1 9 . 1 1 45 45 ASN N N 45 118.501 118.501 118.428 0.073 18504 4054 1 9 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.375 0.095 18504 4055 1 9 . 1 1 45 45 ASN C C 45 177.817 177.817 177.483 0.334 18504 4056 1 9 . 1 1 45 45 ASN CA C 45 56.928 56.928 57.043 -0.115 18504 4057 1 9 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.736 0.668 18504 4058 1 9 . 1 1 45 45 ASN H H 45 8.545 8.545 8.487 0.058 18504 4059 1 9 . 1 1 46 46 MET N N 46 116.171 116.171 116.314 -0.143 18504 4060 1 9 . 1 1 46 46 MET HA H 46 4.471 4.471 4.161 0.310 18504 4061 1 9 . 1 1 46 46 MET C C 46 178.964 178.964 177.455 1.509 18504 4062 1 9 . 1 1 46 46 MET CA C 46 55.467 55.467 59.295 -3.828 18504 4063 1 9 . 1 1 46 46 MET CB C 46 29.707 29.707 32.018 -2.311 18504 4064 1 9 . 1 1 46 46 MET H H 46 7.379 7.379 8.256 -0.877 18504 4065 1 9 . 1 1 47 47 LYS N N 47 121.054 121.054 117.450 3.604 18504 4066 1 9 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.954 -0.070 18504 4067 1 9 . 1 1 47 47 LYS C C 47 179.310 179.310 179.005 0.305 18504 4068 1 9 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.415 0.924 18504 4069 1 9 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.717 0.033 18504 4070 1 9 . 1 1 47 47 LYS H H 47 8.450 8.450 7.896 0.554 18504 4071 1 9 . 1 1 48 48 ASN N N 48 117.137 117.137 117.985 -0.848 18504 4072 1 9 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.481 -0.600 18504 4073 1 9 . 1 1 48 48 ASN C C 48 177.733 177.733 177.178 0.555 18504 4074 1 9 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.029 0.511 18504 4075 1 9 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.587 -0.254 18504 4076 1 9 . 1 1 48 48 ASN H H 48 7.896 7.896 7.743 0.153 18504 4077 1 9 . 1 1 49 49 VAL N N 49 121.225 121.225 120.527 0.698 18504 4078 1 9 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.566 0.113 18504 4079 1 9 . 1 1 49 49 VAL C C 49 176.675 176.675 177.466 -0.791 18504 4080 1 9 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.310 0.124 18504 4081 1 9 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.249 0.820 18504 4082 1 9 . 1 1 49 49 VAL H H 49 7.869 7.869 7.707 0.162 18504 4083 1 9 . 1 1 50 50 ILE N N 50 120.523 120.523 118.727 1.796 18504 4084 1 9 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.295 0.955 18504 4085 1 9 . 1 1 50 50 ILE C C 50 179.831 179.831 177.382 2.449 18504 4086 1 9 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.733 -6.793 18504 4087 1 9 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.589 2.523 18504 4088 1 9 . 1 1 50 50 ILE H H 50 8.093 8.093 7.376 0.717 18504 4089 1 9 . 1 1 51 51 ASN N N 51 117.280 117.280 118.219 -0.939 18504 4090 1 9 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.403 -0.384 18504 4091 1 9 . 1 1 51 51 ASN C C 51 178.496 178.496 177.664 0.832 18504 4092 1 9 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.587 0.025 18504 4093 1 9 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.262 0.093 18504 4094 1 9 . 1 1 51 51 ASN H H 51 7.953 7.953 7.572 0.381 18504 4095 1 9 . 1 1 52 52 ASN N N 52 118.893 118.893 118.887 0.006 18504 4096 1 9 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.485 -0.070 18504 4097 1 9 . 1 1 52 52 ASN C C 52 176.434 176.434 177.035 -0.601 18504 4098 1 9 . 1 1 52 52 ASN CA C 52 56.770 56.770 55.930 0.840 18504 4099 1 9 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.323 0.030 18504 4100 1 9 . 1 1 52 52 ASN H H 52 8.347 8.347 8.143 0.204 18504 4101 1 9 . 1 1 53 53 ALA N N 53 122.291 122.291 122.323 -0.032 18504 4102 1 9 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.020 0.494 18504 4103 1 9 . 1 1 53 53 ALA C C 53 180.689 180.689 179.202 1.487 18504 4104 1 9 . 1 1 53 53 ALA CA C 53 54.901 54.901 54.989 -0.088 18504 4105 1 9 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.354 -0.453 18504 4106 1 9 . 1 1 53 53 ALA H H 53 7.706 7.706 8.756 -1.050 18504 4107 1 9 . 1 1 54 54 LYS N N 54 119.091 119.091 118.579 0.512 18504 4108 1 9 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.007 -0.170 18504 4109 1 9 . 1 1 54 54 LYS C C 54 178.066 178.066 178.582 -0.516 18504 4110 1 9 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.692 0.614 18504 4111 1 9 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.409 -0.321 18504 4112 1 9 . 1 1 54 54 LYS H H 54 8.375 8.375 7.630 0.745 18504 4113 1 9 . 1 1 55 55 LYS N N 55 119.370 119.370 119.264 0.106 18504 4114 1 9 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.945 -0.072 18504 4115 1 9 . 1 1 55 55 LYS C C 55 179.819 179.819 179.241 0.578 18504 4116 1 9 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.341 0.945 18504 4117 1 9 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.135 -0.145 18504 4118 1 9 . 1 1 55 55 LYS H H 55 8.259 8.259 7.703 0.556 18504 4119 1 9 . 1 1 56 56 ASN N N 56 119.303 119.303 118.311 0.992 18504 4120 1 9 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.251 0.158 18504 4121 1 9 . 1 1 56 56 ASN C C 56 178.899 178.899 176.871 2.028 18504 4122 1 9 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.383 0.357 18504 4123 1 9 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.141 -1.038 18504 4124 1 9 . 1 1 56 56 ASN H H 56 8.235 8.235 7.781 0.454 18504 4125 1 9 . 1 1 57 57 LEU N N 57 123.252 123.252 122.111 1.141 18504 4126 1 9 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.262 0.420 18504 4127 1 9 . 1 1 57 57 LEU C C 57 178.541 178.541 179.124 -0.583 18504 4128 1 9 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.912 -0.713 18504 4129 1 9 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.990 0.636 18504 4130 1 9 . 1 1 57 57 LEU H H 57 8.210 8.210 7.818 0.392 18504 4131 1 9 . 1 1 58 58 GLU N N 58 118.795 118.795 117.260 1.535 18504 4132 1 9 . 1 1 58 58 GLU HA H 58 4.003 4.003 4.024 -0.021 18504 4133 1 9 . 1 1 58 58 GLU C C 58 177.333 177.333 179.075 -1.742 18504 4134 1 9 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.328 1.817 18504 4135 1 9 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.064 1.248 18504 4136 1 9 . 1 1 58 58 GLU H H 58 8.846 8.846 8.161 0.685 18504 4137 1 9 . 1 1 59 59 LYS N N 59 118.325 118.325 118.862 -0.537 18504 4138 1 9 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.967 0.508 18504 4139 1 9 . 1 1 59 59 LYS C C 59 178.428 178.428 179.145 -0.717 18504 4140 1 9 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.137 1.008 18504 4141 1 9 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.000 0.688 18504 4142 1 9 . 1 1 59 59 LYS H H 59 8.373 8.373 7.500 0.873 18504 4143 1 9 . 1 1 60 60 TYR N N 60 119.345 119.345 117.966 1.379 18504 4144 1 9 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.411 -0.084 18504 4145 1 9 . 1 1 60 60 TYR C C 60 178.899 178.899 178.654 0.245 18504 4146 1 9 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.712 2.682 18504 4147 1 9 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.149 0.145 18504 4148 1 9 . 1 1 60 60 TYR H H 60 7.532 7.532 7.228 0.304 18504 4149 1 9 . 1 1 61 61 PHE N N 61 118.931 118.931 119.937 -1.006 18504 4150 1 9 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.340 -0.012 18504 4151 1 9 . 1 1 61 61 PHE C C 61 178.450 178.450 177.293 1.157 18504 4152 1 9 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.829 1.565 18504 4153 1 9 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.065 -1.142 18504 4154 1 9 . 1 1 61 61 PHE H H 61 8.607 8.607 8.085 0.522 18504 4155 1 9 . 1 1 62 62 LYS N N 62 118.337 118.337 118.521 -0.184 18504 4156 1 9 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.264 0.038 18504 4157 1 9 . 1 1 62 62 LYS C C 62 178.333 178.333 177.712 0.621 18504 4158 1 9 . 1 1 62 62 LYS CA C 62 59.311 59.311 59.096 0.214 18504 4159 1 9 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.599 0.249 18504 4160 1 9 . 1 1 62 62 LYS H H 62 8.615 8.615 8.585 0.030 18504 4161 1 9 . 1 1 63 63 GLU N N 63 116.360 116.360 117.536 -1.176 18504 4162 1 9 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.261 -0.335 18504 4163 1 9 . 1 1 63 63 GLU C C 63 177.317 177.317 177.850 -0.533 18504 4164 1 9 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.935 0.381 18504 4165 1 9 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.553 -1.197 18504 4166 1 9 . 1 1 63 63 GLU H H 63 7.547 7.547 7.885 -0.338 18504 4167 1 9 . 1 1 64 64 HIS N N 64 113.580 113.580 117.431 -3.851 18504 4168 1 9 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.672 -0.251 18504 4169 1 9 . 1 1 64 64 HIS C C 64 173.911 173.911 174.788 -0.877 18504 4170 1 9 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.283 2.799 18504 4171 1 9 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.444 1.391 18504 4172 1 9 . 1 1 64 64 HIS H H 64 7.013 7.013 7.909 -0.896 18504 4173 1 9 . 1 1 65 65 PHE N N 65 119.434 119.434 116.341 3.093 18504 4174 1 9 . 1 1 65 65 PHE HA H 65 4.936 4.936 3.814 1.122 18504 4175 1 9 . 1 1 65 65 PHE C C 65 175.232 175.232 174.300 0.932 18504 4176 1 9 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.052 -1.829 18504 4177 1 9 . 1 1 65 65 PHE CB C 65 40.362 40.362 36.910 3.452 18504 4178 1 9 . 1 1 65 65 PHE H H 65 8.340 8.340 8.095 0.245 18504 4179 1 9 . 1 1 66 66 LYS N N 66 123.217 123.217 117.969 5.248 18504 4180 1 9 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.745 -0.457 18504 4181 1 9 . 1 1 66 66 LYS C C 66 177.685 177.685 174.971 2.714 18504 4182 1 9 . 1 1 66 66 LYS CA C 66 58.798 58.798 55.083 3.715 18504 4183 1 9 . 1 1 66 66 LYS CB C 66 32.473 32.473 35.520 -3.047 18504 4184 1 9 . 1 1 66 66 LYS H H 66 8.590 8.590 7.587 1.003 18504 4185 1 9 . 1 1 67 67 GLU N N 67 117.085 117.085 121.083 -3.998 18504 4186 1 9 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.462 -0.101 18504 4187 1 9 . 1 1 67 67 GLU C C 67 175.770 175.770 177.430 -1.660 18504 4188 1 9 . 1 1 67 67 GLU CA C 67 56.364 56.364 57.227 -0.863 18504 4189 1 9 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.573 -1.470 18504 4190 1 9 . 1 1 67 67 GLU H H 67 8.969 8.969 8.776 0.193 18504 4191 1 9 . 1 1 68 68 PHE N N 68 121.127 121.127 116.445 4.682 18504 4192 1 9 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.217 0.055 18504 4193 1 9 . 1 1 68 68 PHE C C 68 173.621 173.621 173.273 0.348 18504 4194 1 9 . 1 1 68 68 PHE CA C 68 59.096 59.096 58.586 0.510 18504 4195 1 9 . 1 1 68 68 PHE CB C 68 40.772 40.772 38.309 2.463 18504 4196 1 9 . 1 1 68 68 PHE H H 68 7.752 7.752 8.107 -0.355 18504 4197 1 9 . 1 1 69 69 ASP N N 69 125.720 125.720 117.275 8.445 18504 4198 1 9 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.776 -0.173 18504 4199 1 9 . 1 1 69 69 ASP C C 69 173.387 173.387 174.177 -0.790 18504 4200 1 9 . 1 1 69 69 ASP CA C 69 54.881 54.881 53.896 0.985 18504 4201 1 9 . 1 1 69 69 ASP CB C 69 41.806 41.806 43.158 -1.352 18504 4202 1 9 . 1 1 69 69 ASP H H 69 7.767 7.767 7.782 -0.015 18504 4203 1 9 . 1 1 70 70 LYS N N 70 115.004 115.004 122.215 -7.211 18504 4204 1 9 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.737 -0.288 18504 4205 1 9 . 1 1 70 70 LYS C C 70 175.841 175.841 175.016 0.825 18504 4206 1 9 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.331 1.155 18504 4207 1 9 . 1 1 70 70 LYS CB C 70 34.781 34.781 36.622 -1.841 18504 4208 1 9 . 1 1 70 70 LYS H H 70 7.305 7.305 8.213 -0.908 18504 4209 1 9 . 1 1 71 71 ILE N N 71 122.809 122.809 118.899 3.910 18504 4210 1 9 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.413 0.296 18504 4211 1 9 . 1 1 71 71 ILE C C 71 175.120 175.120 174.608 0.512 18504 4212 1 9 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.523 -1.271 18504 4213 1 9 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.111 -1.810 18504 4214 1 9 . 1 1 71 71 ILE H H 71 9.522 9.522 8.340 1.182 18504 4215 1 9 . 1 1 72 72 SER N N 72 121.741 121.741 119.560 2.181 18504 4216 1 9 . 1 1 72 72 SER HA H 72 4.920 4.920 4.993 -0.073 18504 4217 1 9 . 1 1 72 72 SER C C 72 172.157 172.157 172.732 -0.575 18504 4218 1 9 . 1 1 72 72 SER CA C 72 57.730 57.730 57.247 0.483 18504 4219 1 9 . 1 1 72 72 SER CB C 72 65.634 65.634 65.846 -0.211 18504 4220 1 9 . 1 1 72 72 SER H H 72 8.760 8.760 8.300 0.460 18504 4221 1 9 . 1 1 73 73 TYR N N 73 118.245 118.245 118.807 -0.562 18504 4222 1 9 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.947 0.774 18504 4223 1 9 . 1 1 73 73 TYR C C 73 173.231 173.231 173.577 -0.346 18504 4224 1 9 . 1 1 73 73 TYR CA C 73 56.230 56.230 56.598 -0.368 18504 4225 1 9 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.142 1.241 18504 4226 1 9 . 1 1 73 73 TYR H H 73 8.275 8.275 8.292 -0.017 18504 4227 1 9 . 1 1 74 74 ASP N N 74 120.379 120.379 121.398 -1.019 18504 4228 1 9 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.824 0.231 18504 4229 1 9 . 1 1 74 74 ASP C C 74 174.827 174.827 173.858 0.969 18504 4230 1 9 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.552 0.049 18504 4231 1 9 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.550 1.090 18504 4232 1 9 . 1 1 74 74 ASP H H 74 9.332 9.332 8.199 1.133 18504 4233 1 9 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.913 -0.329 18504 4234 1 9 . 1 1 75 75 ILE C C 75 177.411 177.411 174.072 3.339 18504 4235 1 9 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.473 -0.264 18504 4236 1 9 . 1 1 75 75 ILE CB C 75 40.768 40.768 42.070 -1.302 18504 4237 1 9 . 1 1 75 75 ILE H H 75 7.501 7.501 8.188 -0.687 18504 4238 1 9 . 1 1 76 76 SER N N 76 117.836 117.836 115.163 2.673 18504 4239 1 9 . 1 1 76 76 SER HA H 76 5.450 5.450 4.708 0.742 18504 4240 1 9 . 1 1 76 76 SER C C 76 173.767 173.767 172.471 1.296 18504 4241 1 9 . 1 1 76 76 SER CA C 76 57.758 57.758 57.939 -0.181 18504 4242 1 9 . 1 1 76 76 SER CB C 76 64.462 64.462 65.066 -0.604 18504 4243 1 9 . 1 1 76 76 SER H H 76 9.050 9.050 8.717 0.333 18504 4244 1 9 . 1 1 77 77 THR N N 77 117.435 117.435 115.492 1.943 18504 4245 1 9 . 1 1 77 77 THR HA H 77 4.959 4.959 4.165 0.794 18504 4246 1 9 . 1 1 77 77 THR C C 77 172.636 172.636 173.493 -0.857 18504 4247 1 9 . 1 1 77 77 THR CA C 77 58.870 58.870 63.169 -4.299 18504 4248 1 9 . 1 1 77 77 THR CB C 77 69.935 69.935 67.792 2.143 18504 4249 1 9 . 1 1 77 77 THR H H 77 8.601 8.601 8.337 0.264 18504 4250 1 9 . 1 1 78 78 PRO C C 78 179.328 179.328 176.962 2.366 18504 4251 1 9 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.239 -0.756 18504 4252 1 9 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.551 0.611 18504 4253 1 9 . 1 1 79 79 ILE N N 79 120.707 120.707 112.679 8.028 18504 4254 1 9 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.318 0.303 18504 4255 1 9 . 1 1 79 79 ILE C C 79 177.212 177.212 175.187 2.025 18504 4256 1 9 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.619 5.302 18504 4257 1 9 . 1 1 79 79 ILE CB C 79 37.468 37.468 36.840 0.628 18504 4258 1 9 . 1 1 79 79 ILE H H 79 8.227 8.227 7.499 0.728 18504 4259 1 9 . 1 1 80 80 ASN N N 80 118.168 118.168 117.926 0.242 18504 4260 1 9 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.296 0.134 18504 4261 1 9 . 1 1 80 80 ASN C C 80 178.172 178.172 173.489 4.683 18504 4262 1 9 . 1 1 80 80 ASN CA C 80 56.763 56.763 53.849 2.914 18504 4263 1 9 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.651 0.436 18504 4264 1 9 . 1 1 80 80 ASN H H 80 8.466 8.466 7.740 0.726 18504 4265 1 9 . 1 1 81 81 PHE N N 81 129.059 129.059 118.505 10.554 18504 4266 1 9 . 1 1 81 81 PHE C C 81 174.016 174.016 173.323 0.693 18504 4267 1 9 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.887 -3.068 18504 4268 1 9 . 1 1 81 81 PHE CB C 81 39.773 39.773 40.636 -0.863 18504 4269 1 9 . 1 1 81 81 PHE H H 81 9.152 9.152 7.689 1.463 18504 4270 1 9 . 1 1 82 82 LEU N N 82 124.640 124.640 128.466 -3.826 18504 4271 1 9 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.493 0.500 18504 4272 1 9 . 1 1 82 82 LEU C C 82 173.695 173.695 174.978 -1.283 18504 4273 1 9 . 1 1 82 82 LEU CA C 82 53.750 53.750 54.461 -0.711 18504 4274 1 9 . 1 1 82 82 LEU CB C 82 44.936 44.936 44.772 0.164 18504 4275 1 9 . 1 1 82 82 LEU H H 82 9.147 9.147 7.633 1.514 18504 4276 1 9 . 1 1 83 83 CYS N N 83 126.066 126.066 125.833 0.233 18504 4277 1 9 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.663 0.575 18504 4278 1 9 . 1 1 83 83 CYS C C 83 173.733 173.733 172.266 1.467 18504 4279 1 9 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.065 -0.704 18504 4280 1 9 . 1 1 83 83 CYS CB C 83 28.374 28.374 29.349 -0.975 18504 4281 1 9 . 1 1 83 83 CYS H H 83 9.065 9.065 8.589 0.476 18504 4282 1 9 . 1 1 84 84 ILE N N 84 126.110 126.110 129.115 -3.005 18504 4283 1 9 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.282 0.077 18504 4284 1 9 . 1 1 84 84 ILE C C 84 174.745 174.745 173.997 0.748 18504 4285 1 9 . 1 1 84 84 ILE CA C 84 60.519 60.519 59.786 0.733 18504 4286 1 9 . 1 1 84 84 ILE CB C 84 40.358 40.358 39.403 0.955 18504 4287 1 9 . 1 1 84 84 ILE H H 84 9.426 9.426 8.024 1.402 18504 4288 1 9 . 1 1 85 85 PHE N N 85 126.315 126.315 129.001 -2.686 18504 4289 1 9 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.738 0.281 18504 4290 1 9 . 1 1 85 85 PHE C C 85 175.358 175.358 175.365 -0.007 18504 4291 1 9 . 1 1 85 85 PHE CA C 85 57.731 57.731 55.997 1.734 18504 4292 1 9 . 1 1 85 85 PHE CB C 85 38.742 38.742 38.628 0.114 18504 4293 1 9 . 1 1 85 85 PHE H H 85 8.337 8.337 8.720 -0.383 18504 4294 1 9 . 1 1 86 86 ILE N N 86 126.561 126.561 125.517 1.044 18504 4295 1 9 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.737 0.166 18504 4296 1 9 . 1 1 86 86 ILE C C 86 173.967 173.967 173.725 0.242 18504 4297 1 9 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.309 -1.923 18504 4298 1 9 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.454 -1.643 18504 4299 1 9 . 1 1 86 86 ILE H H 86 9.161 9.161 8.190 0.971 18504 4300 1 9 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.806 0.216 18504 4301 1 9 . 1 1 87 87 PRO C C 87 177.938 177.938 175.748 2.190 18504 4302 1 9 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.782 -0.274 18504 4303 1 9 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.461 1.073 18504 4304 1 9 . 1 1 88 88 THR N N 88 113.282 113.282 119.285 -6.003 18504 4305 1 9 . 1 1 88 88 THR HA H 88 4.486 4.486 4.726 -0.240 18504 4306 1 9 . 1 1 88 88 THR C C 88 176.082 176.082 173.533 2.549 18504 4307 1 9 . 1 1 88 88 THR CA C 88 60.306 60.306 61.611 -1.304 18504 4308 1 9 . 1 1 88 88 THR CB C 88 66.727 66.727 72.640 -5.913 18504 4309 1 9 . 1 1 88 88 THR H H 88 8.003 8.003 8.458 -0.455 18504 4310 1 9 . 1 1 89 89 LEU N N 89 122.317 122.317 124.105 -1.788 18504 4311 1 9 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.437 -0.428 18504 4312 1 9 . 1 1 89 89 LEU C C 89 175.776 175.776 177.238 -1.462 18504 4313 1 9 . 1 1 89 89 LEU CA C 89 53.969 53.969 55.843 -1.874 18504 4314 1 9 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.590 -0.594 18504 4315 1 9 . 1 1 89 89 LEU H H 89 7.822 7.822 8.708 -0.886 18504 4316 1 9 . 1 1 90 90 PHE N N 90 114.801 114.801 117.938 -3.137 18504 4317 1 9 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.108 1.452 18504 4318 1 9 . 1 1 90 90 PHE C C 90 175.869 175.869 174.834 1.035 18504 4319 1 9 . 1 1 90 90 PHE CA C 90 55.096 55.096 59.141 -4.045 18504 4320 1 9 . 1 1 90 90 PHE CB C 90 40.107 40.107 39.275 0.832 18504 4321 1 9 . 1 1 90 90 PHE H H 90 7.110 7.110 7.699 -0.589 18504 4322 1 9 . 1 1 91 91 ASP N N 91 127.244 127.244 120.353 6.891 18504 4323 1 9 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.049 0.508 18504 4324 1 9 . 1 1 91 91 ASP C C 91 175.684 175.684 175.066 0.618 18504 4325 1 9 . 1 1 91 91 ASP CA C 91 52.969 52.969 55.427 -2.458 18504 4326 1 9 . 1 1 91 91 ASP CB C 91 42.216 42.216 39.840 2.376 18504 4327 1 9 . 1 1 91 91 ASP H H 91 9.852 9.852 8.217 1.635 18504 4328 1 9 . 1 1 92 92 MET N N 92 113.730 113.730 117.995 -4.265 18504 4329 1 9 . 1 1 92 92 MET HA H 92 4.278 4.278 4.313 -0.035 18504 4330 1 9 . 1 1 92 92 MET C C 92 177.571 177.571 176.991 0.580 18504 4331 1 9 . 1 1 92 92 MET CA C 92 58.815 58.815 57.012 1.803 18504 4332 1 9 . 1 1 92 92 MET CB C 92 32.010 32.010 32.857 -0.847 18504 4333 1 9 . 1 1 92 92 MET H H 92 8.574 8.574 8.131 0.443 18504 4334 1 9 . 1 1 93 93 ASN N N 93 115.175 115.175 116.794 -1.619 18504 4335 1 9 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.754 -0.005 18504 4336 1 9 . 1 1 93 93 ASN C C 93 176.300 176.300 174.296 2.004 18504 4337 1 9 . 1 1 93 93 ASN CA C 93 55.193 55.193 52.818 2.375 18504 4338 1 9 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.806 0.620 18504 4339 1 9 . 1 1 93 93 ASN H H 93 8.576 8.576 7.984 0.592 18504 4340 1 9 . 1 1 94 94 ASN N N 94 119.005 119.005 117.390 1.615 18504 4341 1 9 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.282 0.909 18504 4342 1 9 . 1 1 94 94 ASN C C 94 177.230 177.230 174.514 2.716 18504 4343 1 9 . 1 1 94 94 ASN CA C 94 52.631 52.631 53.478 -0.847 18504 4344 1 9 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.406 0.687 18504 4345 1 9 . 1 1 94 94 ASN H H 94 8.049 8.049 8.117 -0.068 18504 4346 1 9 . 1 1 95 95 MET N N 95 117.771 117.771 113.757 4.014 18504 4347 1 9 . 1 1 95 95 MET HA H 95 4.048 4.048 3.815 0.233 18504 4348 1 9 . 1 1 95 95 MET C C 95 178.005 178.005 174.456 3.549 18504 4349 1 9 . 1 1 95 95 MET CA C 95 58.275 58.275 56.424 1.851 18504 4350 1 9 . 1 1 95 95 MET CB C 95 32.327 32.327 31.828 0.499 18504 4351 1 9 . 1 1 95 95 MET H H 95 7.489 7.489 7.872 -0.383 18504 4352 1 9 . 1 1 96 96 ASP N N 96 115.629 115.629 118.930 -3.301 18504 4353 1 9 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.901 -0.298 18504 4354 1 9 . 1 1 96 96 ASP C C 96 175.593 175.593 174.356 1.237 18504 4355 1 9 . 1 1 96 96 ASP CA C 96 54.940 54.940 53.802 1.138 18504 4356 1 9 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.252 -1.807 18504 4357 1 9 . 1 1 96 96 ASP H H 96 7.777 7.777 8.081 -0.304 18504 4358 1 9 . 1 1 97 97 LEU N N 97 116.343 116.343 122.242 -5.899 18504 4359 1 9 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.576 0.041 18504 4360 1 9 . 1 1 97 97 LEU C C 97 174.835 174.835 176.809 -1.974 18504 4361 1 9 . 1 1 97 97 LEU CA C 97 54.433 54.433 56.172 -1.739 18504 4362 1 9 . 1 1 97 97 LEU CB C 97 39.082 39.082 42.512 -3.430 18504 4363 1 9 . 1 1 97 97 LEU H H 97 8.027 8.027 7.894 0.133 18504 4364 1 9 . 1 1 98 98 LEU N N 98 118.769 118.769 118.049 0.720 18504 4365 1 9 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.423 -1.059 18504 4366 1 9 . 1 1 98 98 LEU C C 98 177.586 177.586 178.130 -0.544 18504 4367 1 9 . 1 1 98 98 LEU CA C 98 57.219 57.219 57.865 -0.646 18504 4368 1 9 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.461 -2.361 18504 4369 1 9 . 1 1 98 98 LEU H H 98 7.798 7.798 8.018 -0.220 18504 4370 1 9 . 1 1 99 99 LYS N N 99 117.567 117.567 119.808 -2.241 18504 4371 1 9 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.963 -0.547 18504 4372 1 9 . 1 1 99 99 LYS C C 99 177.639 177.639 178.868 -1.229 18504 4373 1 9 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.622 1.211 18504 4374 1 9 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.906 0.138 18504 4375 1 9 . 1 1 99 99 LYS H H 99 7.603 7.603 8.568 -0.965 18504 4376 1 9 . 1 1 100 100 GLN N N 100 114.564 114.564 118.404 -3.840 18504 4377 1 9 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.180 -0.368 18504 4378 1 9 . 1 1 100 100 GLN C C 100 178.165 178.165 177.916 0.249 18504 4379 1 9 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.469 0.315 18504 4380 1 9 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.946 -1.463 18504 4381 1 9 . 1 1 100 100 GLN H H 100 7.625 7.625 7.630 -0.005 18504 4382 1 9 . 1 1 101 101 ALA N N 101 121.499 121.499 123.059 -1.560 18504 4383 1 9 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.165 -0.877 18504 4384 1 9 . 1 1 101 101 ALA C C 101 178.865 178.865 179.723 -0.858 18504 4385 1 9 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.879 0.085 18504 4386 1 9 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.458 -0.597 18504 4387 1 9 . 1 1 101 101 ALA H H 101 7.355 7.355 7.496 -0.141 18504 4388 1 9 . 1 1 102 102 LEU N N 102 115.061 115.061 119.218 -4.157 18504 4389 1 9 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.165 0.601 18504 4390 1 9 . 1 1 102 102 LEU C C 102 179.324 179.324 178.427 0.897 18504 4391 1 9 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.366 0.130 18504 4392 1 9 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.620 -0.892 18504 4393 1 9 . 1 1 102 102 LEU H H 102 7.941 7.941 8.685 -0.744 18504 4394 1 9 . 1 1 103 103 LEU N N 103 115.920 115.920 119.021 -3.101 18504 4395 1 9 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.162 0.675 18504 4396 1 9 . 1 1 103 103 LEU C C 103 178.500 178.500 179.087 -0.587 18504 4397 1 9 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.243 -2.354 18504 4398 1 9 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.266 2.500 18504 4399 1 9 . 1 1 103 103 LEU H H 103 8.266 8.266 7.661 0.605 18504 4400 1 9 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.103 0.532 18504 4401 1 9 . 1 1 105 105 LEU C C 105 175.743 175.743 178.633 -2.890 18504 4402 1 9 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.663 -0.566 18504 4403 1 9 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.627 -1.849 18504 4404 1 9 . 1 1 106 106 HIS N N 106 122.167 122.167 118.862 3.305 18504 4405 1 9 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.299 -0.033 18504 4406 1 9 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.669 -3.555 18504 4407 1 9 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.981 0.144 18504 4408 1 9 . 1 1 106 106 HIS H H 106 8.252 8.252 7.913 0.339 18504 4409 1 9 . 1 1 107 107 ASN C C 107 179.694 179.694 177.366 2.328 18504 4410 1 9 . 1 1 107 107 ASN CA C 107 58.331 58.331 57.281 1.050 18504 4411 1 9 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.600 3.397 18504 4412 1 9 . 1 1 108 108 ASP N N 108 122.462 122.462 120.176 2.286 18504 4413 1 9 . 1 1 108 108 ASP C C 108 179.328 179.328 177.912 1.416 18504 4414 1 9 . 1 1 108 108 ASP CA C 108 57.689 57.689 57.042 0.646 18504 4415 1 9 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.980 1.060 18504 4416 1 9 . 1 1 108 108 ASP H H 108 8.174 8.174 7.976 0.198 18504 4417 1 9 . 1 1 109 109 LEU N N 109 115.664 115.664 118.100 -2.436 18504 4418 1 9 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.153 0.699 18504 4419 1 9 . 1 1 109 109 LEU C C 109 178.510 178.510 178.397 0.113 18504 4420 1 9 . 1 1 109 109 LEU CA C 109 55.154 55.154 57.778 -2.624 18504 4421 1 9 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.583 1.565 18504 4422 1 9 . 1 1 109 109 LEU H H 109 8.380 8.380 7.420 0.960 18504 4423 1 9 . 1 1 110 110 HIS N N 110 118.905 118.905 116.282 2.623 18504 4424 1 9 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.416 -0.506 18504 4425 1 9 . 1 1 110 110 HIS C C 110 176.152 176.152 176.131 0.021 18504 4426 1 9 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.164 2.848 18504 4427 1 9 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.819 -1.706 18504 4428 1 9 . 1 1 110 110 HIS H H 110 8.518 8.518 8.202 0.316 18504 4429 1 9 . 1 1 111 111 GLU N N 111 117.923 117.923 117.637 0.286 18504 4430 1 9 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.397 -0.666 18504 4431 1 9 . 1 1 111 111 GLU C C 111 176.596 176.596 176.379 0.217 18504 4432 1 9 . 1 1 111 111 GLU CA C 111 58.394 58.394 57.127 1.267 18504 4433 1 9 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.382 -0.338 18504 4434 1 9 . 1 1 111 111 GLU H H 111 8.018 8.018 7.997 0.021 18504 4435 1 9 . 1 1 112 112 TYR N N 112 114.607 114.607 117.350 -2.743 18504 4436 1 9 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.544 -0.107 18504 4437 1 9 . 1 1 112 112 TYR C C 112 174.448 174.448 176.495 -2.047 18504 4438 1 9 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.787 -2.015 18504 4439 1 9 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.940 -0.952 18504 4440 1 9 . 1 1 112 112 TYR H H 112 7.905 7.905 7.542 0.363 18504 4441 1 9 . 1 1 113 113 VAL N N 113 118.003 118.003 120.405 -2.402 18504 4442 1 9 . 1 1 113 113 VAL HA H 113 4.106 4.106 4.155 -0.049 18504 4443 1 9 . 1 1 113 113 VAL C C 113 175.134 175.134 175.251 -0.117 18504 4444 1 9 . 1 1 113 113 VAL CA C 113 62.687 62.687 61.404 1.283 18504 4445 1 9 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.169 3.059 18504 4446 1 9 . 1 1 113 113 VAL H H 113 6.976 6.976 7.876 -0.900 18504 4447 1 10 . 1 1 27 27 SER HA H 27 4.339 4.339 4.088 0.251 18504 4448 1 10 . 1 1 27 27 SER C C 27 175.743 175.743 173.548 2.195 18504 4449 1 10 . 1 1 27 27 SER CA C 27 60.497 60.497 61.073 -0.576 18504 4450 1 10 . 1 1 27 27 SER CB C 27 63.659 63.659 62.425 1.234 18504 4451 1 10 . 1 1 28 28 LYS N N 28 118.099 118.099 124.114 -6.015 18504 4452 1 10 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.702 0.516 18504 4453 1 10 . 1 1 28 28 LYS C C 28 175.699 175.699 175.259 0.440 18504 4454 1 10 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.711 -0.166 18504 4455 1 10 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.685 1.228 18504 4456 1 10 . 1 1 28 28 LYS H H 28 7.785 7.785 8.332 -0.547 18504 4457 1 10 . 1 1 29 29 GLN N N 29 122.481 122.481 122.944 -0.463 18504 4458 1 10 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.510 0.228 18504 4459 1 10 . 1 1 29 29 GLN C C 29 174.277 174.277 173.652 0.625 18504 4460 1 10 . 1 1 29 29 GLN CA C 29 55.525 55.525 55.068 0.457 18504 4461 1 10 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.971 -0.101 18504 4462 1 10 . 1 1 29 29 GLN H H 29 9.283 9.283 8.352 0.931 18504 4463 1 10 . 1 1 30 30 GLU N N 30 122.881 122.881 121.599 1.282 18504 4464 1 10 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.368 -0.092 18504 4465 1 10 . 1 1 30 30 GLU C C 30 173.313 173.313 174.702 -1.389 18504 4466 1 10 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.621 1.333 18504 4467 1 10 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.004 0.050 18504 4468 1 10 . 1 1 30 30 GLU H H 30 9.188 9.188 8.361 0.827 18504 4469 1 10 . 1 1 31 31 LEU N N 31 130.328 130.328 126.743 3.585 18504 4470 1 10 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.539 -0.246 18504 4471 1 10 . 1 1 31 31 LEU C C 31 171.909 171.909 175.794 -3.885 18504 4472 1 10 . 1 1 31 31 LEU CA C 31 53.281 53.281 54.100 -0.819 18504 4473 1 10 . 1 1 31 31 LEU CB C 31 42.450 42.450 42.097 0.353 18504 4474 1 10 . 1 1 31 31 LEU H H 31 9.016 9.016 8.466 0.550 18504 4475 1 10 . 1 1 32 32 ILE N N 32 120.632 120.632 121.132 -0.500 18504 4476 1 10 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.958 0.570 18504 4477 1 10 . 1 1 32 32 ILE C C 32 175.735 175.735 175.237 0.498 18504 4478 1 10 . 1 1 32 32 ILE CA C 32 59.224 59.224 59.994 -0.770 18504 4479 1 10 . 1 1 32 32 ILE CB C 32 36.625 36.625 39.037 -2.412 18504 4480 1 10 . 1 1 32 32 ILE H H 32 8.738 8.738 7.904 0.834 18504 4481 1 10 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.555 -0.558 18504 4482 1 10 . 1 1 33 33 LEU C C 33 180.030 180.030 174.866 5.164 18504 4483 1 10 . 1 1 33 33 LEU CA C 33 58.333 58.333 54.650 3.683 18504 4484 1 10 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.037 -3.604 18504 4485 1 10 . 1 1 34 34 VAL N N 34 124.025 124.025 116.610 7.415 18504 4486 1 10 . 1 1 34 34 VAL HA H 34 3.617 3.617 3.855 -0.238 18504 4487 1 10 . 1 1 34 34 VAL C C 34 178.222 178.222 174.656 3.566 18504 4488 1 10 . 1 1 34 34 VAL CA C 34 66.122 66.122 63.607 2.515 18504 4489 1 10 . 1 1 34 34 VAL CB C 34 37.942 37.942 31.809 6.133 18504 4490 1 10 . 1 1 34 34 VAL H H 34 7.751 7.751 8.504 -0.753 18504 4491 1 10 . 1 1 35 35 LEU N N 35 120.009 120.009 127.352 -7.343 18504 4492 1 10 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.699 -0.423 18504 4493 1 10 . 1 1 35 35 LEU C C 35 175.855 175.855 177.826 -1.971 18504 4494 1 10 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.706 3.669 18504 4495 1 10 . 1 1 35 35 LEU CB C 35 43.089 43.089 44.826 -1.737 18504 4496 1 10 . 1 1 35 35 LEU H H 35 7.532 7.532 8.042 -0.510 18504 4497 1 10 . 1 1 36 36 LYS N N 36 115.805 115.805 118.679 -2.874 18504 4498 1 10 . 1 1 36 36 LYS C C 36 178.903 178.903 177.113 1.790 18504 4499 1 10 . 1 1 36 36 LYS CA C 36 58.347 58.347 58.542 -0.195 18504 4500 1 10 . 1 1 36 36 LYS CB C 36 32.903 32.903 31.962 0.941 18504 4501 1 10 . 1 1 36 36 LYS H H 36 7.501 7.501 9.198 -1.697 18504 4502 1 10 . 1 1 37 37 GLY N N 37 110.626 110.626 107.891 2.735 18504 4503 1 10 . 1 1 37 37 GLY C C 37 174.865 174.865 174.056 0.809 18504 4504 1 10 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.549 2.917 18504 4505 1 10 . 1 1 37 37 GLY H H 37 8.811 8.811 8.466 0.345 18504 4506 1 10 . 1 1 38 38 GLU N N 38 116.098 116.098 120.269 -4.171 18504 4507 1 10 . 1 1 38 38 GLU HA H 38 4.302 4.302 3.940 0.362 18504 4508 1 10 . 1 1 38 38 GLU C C 38 176.681 176.681 175.574 1.107 18504 4509 1 10 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.444 0.740 18504 4510 1 10 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.298 -1.469 18504 4511 1 10 . 1 1 38 38 GLU H H 38 8.763 8.763 8.357 0.406 18504 4512 1 10 . 1 1 39 39 LEU N N 39 119.439 119.439 120.810 -1.371 18504 4513 1 10 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.028 0.238 18504 4514 1 10 . 1 1 39 39 LEU C C 39 176.016 176.016 174.647 1.369 18504 4515 1 10 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.434 -0.709 18504 4516 1 10 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.169 1.433 18504 4517 1 10 . 1 1 39 39 LEU H H 39 7.167 7.167 8.225 -1.058 18504 4518 1 10 . 1 1 40 40 ASP N N 40 120.105 120.105 122.575 -2.470 18504 4519 1 10 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.855 -0.127 18504 4520 1 10 . 1 1 40 40 ASP C C 40 178.198 178.198 177.663 0.535 18504 4521 1 10 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.535 -1.345 18504 4522 1 10 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.848 -1.291 18504 4523 1 10 . 1 1 40 40 ASP H H 40 8.596 8.596 8.123 0.473 18504 4524 1 10 . 1 1 41 41 LEU N N 41 125.023 125.023 117.790 7.233 18504 4525 1 10 . 1 1 41 41 LEU HA H 41 3.753 3.753 3.983 -0.230 18504 4526 1 10 . 1 1 41 41 LEU C C 41 175.113 175.113 176.641 -1.528 18504 4527 1 10 . 1 1 41 41 LEU CA C 41 56.667 56.667 57.016 -0.349 18504 4528 1 10 . 1 1 41 41 LEU CB C 41 39.849 39.849 41.495 -1.646 18504 4529 1 10 . 1 1 41 41 LEU H H 41 9.029 9.029 8.472 0.557 18504 4530 1 10 . 1 1 42 42 HIS N N 42 113.184 113.184 120.026 -6.842 18504 4531 1 10 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.737 -0.213 18504 4532 1 10 . 1 1 42 42 HIS C C 42 175.855 175.855 174.094 1.761 18504 4533 1 10 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.362 0.554 18504 4534 1 10 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.424 -0.287 18504 4535 1 10 . 1 1 42 42 HIS H H 42 8.065 8.065 8.328 -0.263 18504 4536 1 10 . 1 1 43 43 SER N N 43 116.013 116.013 120.281 -4.268 18504 4537 1 10 . 1 1 43 43 SER HA H 43 4.524 4.524 4.632 -0.108 18504 4538 1 10 . 1 1 43 43 SER C C 43 174.426 174.426 175.275 -0.849 18504 4539 1 10 . 1 1 43 43 SER CA C 43 58.206 58.206 58.036 0.170 18504 4540 1 10 . 1 1 43 43 SER CB C 43 65.517 65.517 64.555 0.962 18504 4541 1 10 . 1 1 43 43 SER H H 43 7.511 7.511 8.545 -1.034 18504 4542 1 10 . 1 1 44 44 LYS N N 44 123.332 123.332 125.016 -1.684 18504 4543 1 10 . 1 1 44 44 LYS C C 44 177.791 177.791 177.466 0.325 18504 4544 1 10 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.319 1.137 18504 4545 1 10 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.620 -2.448 18504 4546 1 10 . 1 1 44 44 LYS H H 44 8.846 8.846 8.812 0.034 18504 4547 1 10 . 1 1 45 45 ASN N N 45 118.501 118.501 119.081 -0.580 18504 4548 1 10 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.415 0.055 18504 4549 1 10 . 1 1 45 45 ASN C C 45 177.817 177.817 177.427 0.390 18504 4550 1 10 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.449 0.479 18504 4551 1 10 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.948 0.456 18504 4552 1 10 . 1 1 45 45 ASN H H 45 8.545 8.545 8.510 0.035 18504 4553 1 10 . 1 1 46 46 MET N N 46 116.171 116.171 116.848 -0.677 18504 4554 1 10 . 1 1 46 46 MET HA H 46 4.471 4.471 4.291 0.180 18504 4555 1 10 . 1 1 46 46 MET C C 46 178.964 178.964 177.877 1.087 18504 4556 1 10 . 1 1 46 46 MET CA C 46 55.467 55.467 58.617 -3.150 18504 4557 1 10 . 1 1 46 46 MET CB C 46 29.707 29.707 31.904 -2.197 18504 4558 1 10 . 1 1 46 46 MET H H 46 7.379 7.379 8.099 -0.720 18504 4559 1 10 . 1 1 47 47 LYS N N 47 121.054 121.054 119.302 1.752 18504 4560 1 10 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.003 -0.119 18504 4561 1 10 . 1 1 47 47 LYS C C 47 179.310 179.310 178.721 0.589 18504 4562 1 10 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.320 1.019 18504 4563 1 10 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.056 -0.306 18504 4564 1 10 . 1 1 47 47 LYS H H 47 8.450 8.450 7.809 0.641 18504 4565 1 10 . 1 1 48 48 ASN N N 48 117.137 117.137 117.827 -0.690 18504 4566 1 10 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.469 -0.588 18504 4567 1 10 . 1 1 48 48 ASN C C 48 177.733 177.733 177.267 0.466 18504 4568 1 10 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.551 -0.011 18504 4569 1 10 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.794 -0.461 18504 4570 1 10 . 1 1 48 48 ASN H H 48 7.896 7.896 7.933 -0.037 18504 4571 1 10 . 1 1 49 49 VAL N N 49 121.225 121.225 120.498 0.727 18504 4572 1 10 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.560 0.119 18504 4573 1 10 . 1 1 49 49 VAL C C 49 176.675 176.675 177.250 -0.575 18504 4574 1 10 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.474 -0.040 18504 4575 1 10 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.282 0.787 18504 4576 1 10 . 1 1 49 49 VAL H H 49 7.869 7.869 7.436 0.433 18504 4577 1 10 . 1 1 50 50 ILE N N 50 120.523 120.523 119.845 0.678 18504 4578 1 10 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.620 0.630 18504 4579 1 10 . 1 1 50 50 ILE C C 50 179.831 179.831 177.304 2.527 18504 4580 1 10 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.151 -6.211 18504 4581 1 10 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.992 2.120 18504 4582 1 10 . 1 1 50 50 ILE H H 50 8.093 8.093 7.768 0.326 18504 4583 1 10 . 1 1 51 51 ASN N N 51 117.280 117.280 117.865 -0.585 18504 4584 1 10 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.464 -0.445 18504 4585 1 10 . 1 1 51 51 ASN C C 51 178.496 178.496 177.538 0.958 18504 4586 1 10 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.160 0.452 18504 4587 1 10 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.130 0.225 18504 4588 1 10 . 1 1 51 51 ASN H H 51 7.953 7.953 7.744 0.209 18504 4589 1 10 . 1 1 52 52 ASN N N 52 118.893 118.893 119.360 -0.467 18504 4590 1 10 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.431 -0.016 18504 4591 1 10 . 1 1 52 52 ASN C C 52 176.434 176.434 177.588 -1.154 18504 4592 1 10 . 1 1 52 52 ASN CA C 52 56.770 56.770 55.992 0.778 18504 4593 1 10 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.088 0.265 18504 4594 1 10 . 1 1 52 52 ASN H H 52 8.347 8.347 7.975 0.372 18504 4595 1 10 . 1 1 53 53 ALA N N 53 122.291 122.291 121.896 0.395 18504 4596 1 10 . 1 1 53 53 ALA HA H 53 4.514 4.514 3.974 0.540 18504 4597 1 10 . 1 1 53 53 ALA C C 53 180.689 180.689 178.946 1.743 18504 4598 1 10 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.375 -0.474 18504 4599 1 10 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.296 -0.395 18504 4600 1 10 . 1 1 53 53 ALA H H 53 7.706 7.706 8.755 -1.049 18504 4601 1 10 . 1 1 54 54 LYS N N 54 119.091 119.091 118.589 0.502 18504 4602 1 10 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.110 -0.273 18504 4603 1 10 . 1 1 54 54 LYS C C 54 178.066 178.066 178.947 -0.881 18504 4604 1 10 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.035 1.270 18504 4605 1 10 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.059 0.029 18504 4606 1 10 . 1 1 54 54 LYS H H 54 8.375 8.375 7.414 0.961 18504 4607 1 10 . 1 1 55 55 LYS N N 55 119.370 119.370 119.186 0.184 18504 4608 1 10 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.968 -0.095 18504 4609 1 10 . 1 1 55 55 LYS C C 55 179.819 179.819 179.190 0.629 18504 4610 1 10 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.693 0.593 18504 4611 1 10 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.289 -0.299 18504 4612 1 10 . 1 1 55 55 LYS H H 55 8.259 8.259 7.695 0.564 18504 4613 1 10 . 1 1 56 56 ASN N N 56 119.303 119.303 118.614 0.689 18504 4614 1 10 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.250 0.159 18504 4615 1 10 . 1 1 56 56 ASN C C 56 178.899 178.899 177.288 1.611 18504 4616 1 10 . 1 1 56 56 ASN CA C 56 55.740 55.740 56.362 -0.622 18504 4617 1 10 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.587 -1.484 18504 4618 1 10 . 1 1 56 56 ASN H H 56 8.235 8.235 7.842 0.393 18504 4619 1 10 . 1 1 57 57 LEU N N 57 123.252 123.252 121.712 1.540 18504 4620 1 10 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.355 0.327 18504 4621 1 10 . 1 1 57 57 LEU C C 57 178.541 178.541 179.633 -1.092 18504 4622 1 10 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.733 -0.534 18504 4623 1 10 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.223 0.403 18504 4624 1 10 . 1 1 57 57 LEU H H 57 8.210 8.210 8.217 -0.007 18504 4625 1 10 . 1 1 58 58 GLU N N 58 118.795 118.795 117.492 1.303 18504 4626 1 10 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.995 0.007 18504 4627 1 10 . 1 1 58 58 GLU C C 58 177.333 177.333 178.833 -1.500 18504 4628 1 10 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.409 1.736 18504 4629 1 10 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.251 1.061 18504 4630 1 10 . 1 1 58 58 GLU H H 58 8.846 8.846 8.112 0.734 18504 4631 1 10 . 1 1 59 59 LYS N N 59 118.325 118.325 119.217 -0.892 18504 4632 1 10 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.930 0.545 18504 4633 1 10 . 1 1 59 59 LYS C C 59 178.428 178.428 179.290 -0.862 18504 4634 1 10 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.405 0.740 18504 4635 1 10 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.137 0.551 18504 4636 1 10 . 1 1 59 59 LYS H H 59 8.373 8.373 7.790 0.583 18504 4637 1 10 . 1 1 60 60 TYR N N 60 119.345 119.345 117.965 1.380 18504 4638 1 10 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.330 -0.003 18504 4639 1 10 . 1 1 60 60 TYR C C 60 178.899 178.899 178.546 0.353 18504 4640 1 10 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.145 2.249 18504 4641 1 10 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.292 0.002 18504 4642 1 10 . 1 1 60 60 TYR H H 60 7.532 7.532 7.382 0.150 18504 4643 1 10 . 1 1 61 61 PHE N N 61 118.931 118.931 120.339 -1.408 18504 4644 1 10 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.651 -0.323 18504 4645 1 10 . 1 1 61 61 PHE C C 61 178.450 178.450 177.851 0.599 18504 4646 1 10 . 1 1 61 61 PHE CA C 61 62.394 62.394 59.425 2.969 18504 4647 1 10 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.294 -1.371 18504 4648 1 10 . 1 1 61 61 PHE H H 61 8.607 8.607 8.071 0.536 18504 4649 1 10 . 1 1 62 62 LYS N N 62 118.337 118.337 119.539 -1.202 18504 4650 1 10 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.344 -0.042 18504 4651 1 10 . 1 1 62 62 LYS C C 62 178.333 178.333 177.677 0.656 18504 4652 1 10 . 1 1 62 62 LYS CA C 62 59.311 59.311 59.079 0.232 18504 4653 1 10 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.772 0.077 18504 4654 1 10 . 1 1 62 62 LYS H H 62 8.615 8.615 8.596 0.019 18504 4655 1 10 . 1 1 63 63 GLU N N 63 116.360 116.360 116.993 -0.633 18504 4656 1 10 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.330 -0.404 18504 4657 1 10 . 1 1 63 63 GLU C C 63 177.317 177.317 177.884 -0.567 18504 4658 1 10 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.986 0.330 18504 4659 1 10 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.955 -1.599 18504 4660 1 10 . 1 1 63 63 GLU H H 63 7.547 7.547 7.972 -0.425 18504 4661 1 10 . 1 1 64 64 HIS N N 64 113.580 113.580 115.445 -1.865 18504 4662 1 10 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.663 -0.242 18504 4663 1 10 . 1 1 64 64 HIS C C 64 173.911 173.911 175.012 -1.101 18504 4664 1 10 . 1 1 64 64 HIS CA C 64 58.082 58.082 54.909 3.173 18504 4665 1 10 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.748 1.087 18504 4666 1 10 . 1 1 64 64 HIS H H 64 7.013 7.013 7.786 -0.773 18504 4667 1 10 . 1 1 65 65 PHE N N 65 119.434 119.434 117.920 1.514 18504 4668 1 10 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.464 0.472 18504 4669 1 10 . 1 1 65 65 PHE C C 65 175.232 175.232 175.433 -0.201 18504 4670 1 10 . 1 1 65 65 PHE CA C 65 57.223 57.223 60.072 -2.849 18504 4671 1 10 . 1 1 65 65 PHE CB C 65 40.362 40.362 39.297 1.065 18504 4672 1 10 . 1 1 65 65 PHE H H 65 8.340 8.340 7.681 0.659 18504 4673 1 10 . 1 1 66 66 LYS N N 66 123.217 123.217 116.201 7.016 18504 4674 1 10 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.385 0.903 18504 4675 1 10 . 1 1 66 66 LYS C C 66 177.685 177.685 174.065 3.620 18504 4676 1 10 . 1 1 66 66 LYS CA C 66 58.798 58.798 57.112 1.686 18504 4677 1 10 . 1 1 66 66 LYS CB C 66 32.473 32.473 32.861 -0.388 18504 4678 1 10 . 1 1 66 66 LYS H H 66 8.590 8.590 7.976 0.614 18504 4679 1 10 . 1 1 67 67 GLU N N 67 117.085 117.085 119.318 -2.233 18504 4680 1 10 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.144 0.217 18504 4681 1 10 . 1 1 67 67 GLU C C 67 175.770 175.770 175.697 0.073 18504 4682 1 10 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.024 0.340 18504 4683 1 10 . 1 1 67 67 GLU CB C 67 29.103 29.103 29.901 -0.798 18504 4684 1 10 . 1 1 67 67 GLU H H 67 8.969 8.969 8.202 0.767 18504 4685 1 10 . 1 1 68 68 PHE N N 68 121.127 121.127 123.536 -2.409 18504 4686 1 10 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.481 -0.209 18504 4687 1 10 . 1 1 68 68 PHE C C 68 173.621 173.621 173.555 0.066 18504 4688 1 10 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.553 1.544 18504 4689 1 10 . 1 1 68 68 PHE CB C 68 40.772 40.772 42.929 -2.157 18504 4690 1 10 . 1 1 68 68 PHE H H 68 7.752 7.752 8.132 -0.380 18504 4691 1 10 . 1 1 69 69 ASP N N 69 125.720 125.720 117.750 7.970 18504 4692 1 10 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.184 0.419 18504 4693 1 10 . 1 1 69 69 ASP C C 69 173.387 173.387 174.865 -1.478 18504 4694 1 10 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.692 0.189 18504 4695 1 10 . 1 1 69 69 ASP CB C 69 41.806 41.806 39.589 2.217 18504 4696 1 10 . 1 1 69 69 ASP H H 69 7.767 7.767 8.522 -0.755 18504 4697 1 10 . 1 1 70 70 LYS N N 70 115.004 115.004 122.088 -7.084 18504 4698 1 10 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.666 -0.217 18504 4699 1 10 . 1 1 70 70 LYS C C 70 175.841 175.841 175.297 0.544 18504 4700 1 10 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.448 1.038 18504 4701 1 10 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.886 -1.105 18504 4702 1 10 . 1 1 70 70 LYS H H 70 7.305 7.305 7.937 -0.632 18504 4703 1 10 . 1 1 71 71 ILE N N 71 122.809 122.809 121.786 1.023 18504 4704 1 10 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.361 0.348 18504 4705 1 10 . 1 1 71 71 ILE C C 71 175.120 175.120 174.104 1.016 18504 4706 1 10 . 1 1 71 71 ILE CA C 71 59.252 59.252 61.116 -1.864 18504 4707 1 10 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.369 -1.067 18504 4708 1 10 . 1 1 71 71 ILE H H 71 9.522 9.522 8.429 1.093 18504 4709 1 10 . 1 1 72 72 SER N N 72 121.741 121.741 126.366 -4.625 18504 4710 1 10 . 1 1 72 72 SER HA H 72 4.920 4.920 4.905 0.015 18504 4711 1 10 . 1 1 72 72 SER C C 72 172.157 172.157 173.099 -0.942 18504 4712 1 10 . 1 1 72 72 SER CA C 72 57.730 57.730 57.640 0.090 18504 4713 1 10 . 1 1 72 72 SER CB C 72 65.634 65.634 63.869 1.765 18504 4714 1 10 . 1 1 72 72 SER H H 72 8.760 8.760 8.278 0.482 18504 4715 1 10 . 1 1 73 73 TYR N N 73 118.245 118.245 123.427 -5.182 18504 4716 1 10 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.900 0.821 18504 4717 1 10 . 1 1 73 73 TYR C C 73 173.231 173.231 174.458 -1.227 18504 4718 1 10 . 1 1 73 73 TYR CA C 73 56.230 56.230 55.958 0.272 18504 4719 1 10 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.237 2.146 18504 4720 1 10 . 1 1 73 73 TYR H H 73 8.275 8.275 8.578 -0.303 18504 4721 1 10 . 1 1 74 74 ASP N N 74 120.379 120.379 120.920 -0.541 18504 4722 1 10 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.746 0.309 18504 4723 1 10 . 1 1 74 74 ASP C C 74 174.827 174.827 173.833 0.994 18504 4724 1 10 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.326 0.275 18504 4725 1 10 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.868 0.771 18504 4726 1 10 . 1 1 74 74 ASP H H 74 9.332 9.332 8.263 1.069 18504 4727 1 10 . 1 1 75 75 ILE HA H 75 4.584 4.584 5.137 -0.553 18504 4728 1 10 . 1 1 75 75 ILE C C 75 177.411 177.411 174.586 2.825 18504 4729 1 10 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.684 -0.475 18504 4730 1 10 . 1 1 75 75 ILE CB C 75 40.768 40.768 41.111 -0.343 18504 4731 1 10 . 1 1 75 75 ILE H H 75 7.501 7.501 8.316 -0.815 18504 4732 1 10 . 1 1 76 76 SER N N 76 117.836 117.836 120.858 -3.022 18504 4733 1 10 . 1 1 76 76 SER HA H 76 5.450 5.450 4.901 0.549 18504 4734 1 10 . 1 1 76 76 SER C C 76 173.767 173.767 173.037 0.730 18504 4735 1 10 . 1 1 76 76 SER CA C 76 57.758 57.758 56.747 1.011 18504 4736 1 10 . 1 1 76 76 SER CB C 76 64.462 64.462 65.003 -0.541 18504 4737 1 10 . 1 1 76 76 SER H H 76 9.050 9.050 8.480 0.570 18504 4738 1 10 . 1 1 77 77 THR N N 77 117.435 117.435 113.414 4.021 18504 4739 1 10 . 1 1 77 77 THR HA H 77 4.959 4.959 4.138 0.821 18504 4740 1 10 . 1 1 77 77 THR C C 77 172.636 172.636 173.574 -0.938 18504 4741 1 10 . 1 1 77 77 THR CA C 77 58.870 58.870 62.241 -3.371 18504 4742 1 10 . 1 1 77 77 THR CB C 77 69.935 69.935 68.179 1.756 18504 4743 1 10 . 1 1 77 77 THR H H 77 8.601 8.601 8.194 0.407 18504 4744 1 10 . 1 1 78 78 PRO C C 78 179.328 179.328 177.322 2.006 18504 4745 1 10 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.721 -1.238 18504 4746 1 10 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.610 0.552 18504 4747 1 10 . 1 1 79 79 ILE N N 79 120.707 120.707 113.396 7.311 18504 4748 1 10 . 1 1 79 79 ILE HA H 79 4.621 4.621 3.776 0.845 18504 4749 1 10 . 1 1 79 79 ILE C C 79 177.212 177.212 174.576 2.636 18504 4750 1 10 . 1 1 79 79 ILE CA C 79 65.921 65.921 61.274 4.647 18504 4751 1 10 . 1 1 79 79 ILE CB C 79 37.468 37.468 36.885 0.583 18504 4752 1 10 . 1 1 79 79 ILE H H 79 8.227 8.227 7.226 1.001 18504 4753 1 10 . 1 1 80 80 ASN N N 80 118.168 118.168 116.879 1.289 18504 4754 1 10 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.228 0.202 18504 4755 1 10 . 1 1 80 80 ASN C C 80 178.172 178.172 173.384 4.788 18504 4756 1 10 . 1 1 80 80 ASN CA C 80 56.763 56.763 53.862 2.901 18504 4757 1 10 . 1 1 80 80 ASN CB C 80 38.087 38.087 36.800 1.287 18504 4758 1 10 . 1 1 80 80 ASN H H 80 8.466 8.466 7.678 0.788 18504 4759 1 10 . 1 1 81 81 PHE N N 81 129.059 129.059 117.977 11.082 18504 4760 1 10 . 1 1 81 81 PHE C C 81 174.016 174.016 175.303 -1.287 18504 4761 1 10 . 1 1 81 81 PHE CA C 81 54.819 54.819 55.523 -0.704 18504 4762 1 10 . 1 1 81 81 PHE CB C 81 39.773 39.773 41.831 -2.058 18504 4763 1 10 . 1 1 81 81 PHE H H 81 9.152 9.152 8.289 0.863 18504 4764 1 10 . 1 1 82 82 LEU N N 82 124.640 124.640 122.513 2.127 18504 4765 1 10 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.658 0.335 18504 4766 1 10 . 1 1 82 82 LEU C C 82 173.695 173.695 175.231 -1.536 18504 4767 1 10 . 1 1 82 82 LEU CA C 82 53.750 53.750 54.466 -0.716 18504 4768 1 10 . 1 1 82 82 LEU CB C 82 44.936 44.936 42.913 2.023 18504 4769 1 10 . 1 1 82 82 LEU H H 82 9.147 9.147 8.362 0.785 18504 4770 1 10 . 1 1 83 83 CYS N N 83 126.066 126.066 126.761 -0.695 18504 4771 1 10 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.669 0.569 18504 4772 1 10 . 1 1 83 83 CYS C C 83 173.733 173.733 173.640 0.093 18504 4773 1 10 . 1 1 83 83 CYS CA C 83 56.361 56.361 58.199 -1.838 18504 4774 1 10 . 1 1 83 83 CYS CB C 83 28.374 28.374 26.917 1.457 18504 4775 1 10 . 1 1 83 83 CYS H H 83 9.065 9.065 8.656 0.409 18504 4776 1 10 . 1 1 84 84 ILE N N 84 126.110 126.110 126.125 -0.015 18504 4777 1 10 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.304 0.055 18504 4778 1 10 . 1 1 84 84 ILE C C 84 174.745 174.745 174.236 0.509 18504 4779 1 10 . 1 1 84 84 ILE CA C 84 60.519 60.519 61.256 -0.737 18504 4780 1 10 . 1 1 84 84 ILE CB C 84 40.358 40.358 38.792 1.566 18504 4781 1 10 . 1 1 84 84 ILE H H 84 9.426 9.426 8.382 1.044 18504 4782 1 10 . 1 1 85 85 PHE N N 85 126.315 126.315 128.256 -1.941 18504 4783 1 10 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.918 0.101 18504 4784 1 10 . 1 1 85 85 PHE C C 85 175.358 175.358 174.166 1.192 18504 4785 1 10 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.726 1.005 18504 4786 1 10 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.801 -2.059 18504 4787 1 10 . 1 1 85 85 PHE H H 85 8.337 8.337 8.621 -0.284 18504 4788 1 10 . 1 1 86 86 ILE N N 86 126.561 126.561 125.491 1.070 18504 4789 1 10 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.531 0.372 18504 4790 1 10 . 1 1 86 86 ILE C C 86 173.967 173.967 173.663 0.304 18504 4791 1 10 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.583 -2.197 18504 4792 1 10 . 1 1 86 86 ILE CB C 86 38.811 38.811 39.893 -1.082 18504 4793 1 10 . 1 1 86 86 ILE H H 86 9.161 9.161 8.048 1.113 18504 4794 1 10 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.872 0.149 18504 4795 1 10 . 1 1 87 87 PRO C C 87 177.938 177.938 175.654 2.284 18504 4796 1 10 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.306 0.202 18504 4797 1 10 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.949 0.585 18504 4798 1 10 . 1 1 88 88 THR N N 88 113.282 113.282 117.062 -3.780 18504 4799 1 10 . 1 1 88 88 THR HA H 88 4.486 4.486 4.554 -0.068 18504 4800 1 10 . 1 1 88 88 THR C C 88 176.082 176.082 172.393 3.689 18504 4801 1 10 . 1 1 88 88 THR CA C 88 60.306 60.306 61.337 -1.032 18504 4802 1 10 . 1 1 88 88 THR CB C 88 66.727 66.727 70.915 -4.188 18504 4803 1 10 . 1 1 88 88 THR H H 88 8.003 8.003 8.160 -0.157 18504 4804 1 10 . 1 1 89 89 LEU N N 89 122.317 122.317 129.062 -6.745 18504 4805 1 10 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.676 -0.667 18504 4806 1 10 . 1 1 89 89 LEU C C 89 175.776 175.776 175.880 -0.104 18504 4807 1 10 . 1 1 89 89 LEU CA C 89 53.969 53.969 53.775 0.194 18504 4808 1 10 . 1 1 89 89 LEU CB C 89 41.996 41.996 40.164 1.832 18504 4809 1 10 . 1 1 89 89 LEU H H 89 7.822 7.822 8.755 -0.933 18504 4810 1 10 . 1 1 90 90 PHE N N 90 114.801 114.801 126.549 -11.748 18504 4811 1 10 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.297 1.263 18504 4812 1 10 . 1 1 90 90 PHE C C 90 175.869 175.869 174.755 1.114 18504 4813 1 10 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.523 -3.427 18504 4814 1 10 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.328 1.779 18504 4815 1 10 . 1 1 90 90 PHE H H 90 7.110 7.110 8.229 -1.119 18504 4816 1 10 . 1 1 91 91 ASP N N 91 127.244 127.244 126.824 0.420 18504 4817 1 10 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.248 0.309 18504 4818 1 10 . 1 1 91 91 ASP C C 91 175.684 175.684 176.013 -0.329 18504 4819 1 10 . 1 1 91 91 ASP CA C 91 52.969 52.969 55.087 -2.118 18504 4820 1 10 . 1 1 91 91 ASP CB C 91 42.216 42.216 42.175 0.041 18504 4821 1 10 . 1 1 91 91 ASP H H 91 9.852 9.852 8.413 1.439 18504 4822 1 10 . 1 1 92 92 MET N N 92 113.730 113.730 119.444 -5.714 18504 4823 1 10 . 1 1 92 92 MET HA H 92 4.278 4.278 4.272 0.006 18504 4824 1 10 . 1 1 92 92 MET C C 92 177.571 177.571 177.780 -0.209 18504 4825 1 10 . 1 1 92 92 MET CA C 92 58.815 58.815 57.663 1.151 18504 4826 1 10 . 1 1 92 92 MET CB C 92 32.010 32.010 33.080 -1.070 18504 4827 1 10 . 1 1 92 92 MET H H 92 8.574 8.574 7.772 0.802 18504 4828 1 10 . 1 1 93 93 ASN N N 93 115.175 115.175 115.462 -0.287 18504 4829 1 10 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.652 0.097 18504 4830 1 10 . 1 1 93 93 ASN C C 93 176.300 176.300 175.703 0.597 18504 4831 1 10 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.291 0.902 18504 4832 1 10 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.334 1.092 18504 4833 1 10 . 1 1 93 93 ASN H H 93 8.576 8.576 8.570 0.006 18504 4834 1 10 . 1 1 94 94 ASN N N 94 119.005 119.005 116.904 2.101 18504 4835 1 10 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.659 0.532 18504 4836 1 10 . 1 1 94 94 ASN C C 94 177.230 177.230 174.337 2.893 18504 4837 1 10 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.792 -2.161 18504 4838 1 10 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.684 0.409 18504 4839 1 10 . 1 1 94 94 ASN H H 94 8.049 8.049 8.514 -0.465 18504 4840 1 10 . 1 1 95 95 MET N N 95 117.771 117.771 117.543 0.228 18504 4841 1 10 . 1 1 95 95 MET HA H 95 4.048 4.048 4.633 -0.585 18504 4842 1 10 . 1 1 95 95 MET C C 95 178.005 178.005 174.824 3.181 18504 4843 1 10 . 1 1 95 95 MET CA C 95 58.275 58.275 56.437 1.838 18504 4844 1 10 . 1 1 95 95 MET CB C 95 32.327 32.327 35.049 -2.722 18504 4845 1 10 . 1 1 95 95 MET H H 95 7.489 7.489 8.945 -1.456 18504 4846 1 10 . 1 1 96 96 ASP N N 96 115.629 115.629 121.419 -5.790 18504 4847 1 10 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.497 0.106 18504 4848 1 10 . 1 1 96 96 ASP C C 96 175.593 175.593 175.168 0.425 18504 4849 1 10 . 1 1 96 96 ASP CA C 96 54.940 54.940 55.232 -0.292 18504 4850 1 10 . 1 1 96 96 ASP CB C 96 39.445 39.445 40.621 -1.176 18504 4851 1 10 . 1 1 96 96 ASP H H 96 7.777 7.777 8.381 -0.604 18504 4852 1 10 . 1 1 97 97 LEU N N 97 116.343 116.343 125.975 -9.632 18504 4853 1 10 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.513 0.104 18504 4854 1 10 . 1 1 97 97 LEU C C 97 174.835 174.835 176.225 -1.390 18504 4855 1 10 . 1 1 97 97 LEU CA C 97 54.433 54.433 54.278 0.155 18504 4856 1 10 . 1 1 97 97 LEU CB C 97 39.082 39.082 41.049 -1.967 18504 4857 1 10 . 1 1 97 97 LEU H H 97 8.027 8.027 8.938 -0.911 18504 4858 1 10 . 1 1 98 98 LEU N N 98 118.769 118.769 122.265 -3.496 18504 4859 1 10 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.160 -0.796 18504 4860 1 10 . 1 1 98 98 LEU C C 98 177.586 177.586 177.984 -0.398 18504 4861 1 10 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.898 0.321 18504 4862 1 10 . 1 1 98 98 LEU CB C 98 39.100 39.100 42.069 -2.969 18504 4863 1 10 . 1 1 98 98 LEU H H 98 7.798 7.798 7.677 0.121 18504 4864 1 10 . 1 1 99 99 LYS N N 99 117.567 117.567 118.889 -1.322 18504 4865 1 10 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.883 -0.467 18504 4866 1 10 . 1 1 99 99 LYS C C 99 177.639 177.639 178.617 -0.978 18504 4867 1 10 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.548 1.285 18504 4868 1 10 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.829 0.214 18504 4869 1 10 . 1 1 99 99 LYS H H 99 7.603 7.603 8.517 -0.914 18504 4870 1 10 . 1 1 100 100 GLN N N 100 114.564 114.564 117.131 -2.567 18504 4871 1 10 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.177 -0.365 18504 4872 1 10 . 1 1 100 100 GLN C C 100 178.165 178.165 177.568 0.597 18504 4873 1 10 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.180 0.604 18504 4874 1 10 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.059 -0.576 18504 4875 1 10 . 1 1 100 100 GLN H H 100 7.625 7.625 7.910 -0.285 18504 4876 1 10 . 1 1 101 101 ALA N N 101 121.499 121.499 123.058 -1.559 18504 4877 1 10 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.052 -0.764 18504 4878 1 10 . 1 1 101 101 ALA C C 101 178.865 178.865 179.642 -0.777 18504 4879 1 10 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.824 0.140 18504 4880 1 10 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.329 -0.468 18504 4881 1 10 . 1 1 101 101 ALA H H 101 7.355 7.355 7.406 -0.051 18504 4882 1 10 . 1 1 102 102 LEU N N 102 115.061 115.061 118.173 -3.112 18504 4883 1 10 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.077 0.689 18504 4884 1 10 . 1 1 102 102 LEU C C 102 179.324 179.324 178.992 0.332 18504 4885 1 10 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.544 -0.048 18504 4886 1 10 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.202 -0.474 18504 4887 1 10 . 1 1 102 102 LEU H H 102 7.941 7.941 7.781 0.160 18504 4888 1 10 . 1 1 103 103 LEU N N 103 115.920 115.920 120.140 -4.220 18504 4889 1 10 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.172 0.665 18504 4890 1 10 . 1 1 103 103 LEU C C 103 178.500 178.500 179.240 -0.740 18504 4891 1 10 . 1 1 103 103 LEU CA C 103 54.889 54.889 58.094 -3.205 18504 4892 1 10 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.241 1.525 18504 4893 1 10 . 1 1 103 103 LEU H H 103 8.266 8.266 7.501 0.765 18504 4894 1 10 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.174 0.461 18504 4895 1 10 . 1 1 105 105 LEU C C 105 175.743 175.743 178.432 -2.689 18504 4896 1 10 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.426 -0.329 18504 4897 1 10 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.575 -1.797 18504 4898 1 10 . 1 1 106 106 HIS N N 106 122.167 122.167 119.122 3.045 18504 4899 1 10 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.166 0.100 18504 4900 1 10 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.236 -2.122 18504 4901 1 10 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.143 -0.018 18504 4902 1 10 . 1 1 106 106 HIS H H 106 8.252 8.252 8.271 -0.019 18504 4903 1 10 . 1 1 107 107 ASN C C 107 179.694 179.694 177.214 2.480 18504 4904 1 10 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.547 1.784 18504 4905 1 10 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.186 3.811 18504 4906 1 10 . 1 1 108 108 ASP N N 108 122.462 122.462 119.009 3.453 18504 4907 1 10 . 1 1 108 108 ASP C C 108 179.328 179.328 178.261 1.067 18504 4908 1 10 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.779 0.910 18504 4909 1 10 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.060 0.980 18504 4910 1 10 . 1 1 108 108 ASP H H 108 8.174 8.174 7.797 0.377 18504 4911 1 10 . 1 1 109 109 LEU N N 109 115.664 115.664 117.901 -2.237 18504 4912 1 10 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.473 0.379 18504 4913 1 10 . 1 1 109 109 LEU C C 109 178.510 178.510 177.320 1.190 18504 4914 1 10 . 1 1 109 109 LEU CA C 109 55.154 55.154 55.908 -0.754 18504 4915 1 10 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.440 1.708 18504 4916 1 10 . 1 1 109 109 LEU H H 109 8.380 8.380 7.220 1.160 18504 4917 1 10 . 1 1 110 110 HIS N N 110 118.905 118.905 119.949 -1.044 18504 4918 1 10 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.190 -0.280 18504 4919 1 10 . 1 1 110 110 HIS C C 110 176.152 176.152 176.170 -0.018 18504 4920 1 10 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.879 3.133 18504 4921 1 10 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.773 -1.661 18504 4922 1 10 . 1 1 110 110 HIS H H 110 8.518 8.518 8.155 0.363 18504 4923 1 10 . 1 1 111 111 GLU N N 111 117.923 117.923 117.342 0.581 18504 4924 1 10 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.015 -0.284 18504 4925 1 10 . 1 1 111 111 GLU C C 111 176.596 176.596 175.651 0.945 18504 4926 1 10 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.088 0.306 18504 4927 1 10 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.585 -0.541 18504 4928 1 10 . 1 1 111 111 GLU H H 111 8.018 8.018 8.496 -0.478 18504 4929 1 10 . 1 1 112 112 TYR N N 112 114.607 114.607 117.464 -2.857 18504 4930 1 10 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.564 -0.127 18504 4931 1 10 . 1 1 112 112 TYR C C 112 174.448 174.448 175.482 -1.034 18504 4932 1 10 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.423 -1.651 18504 4933 1 10 . 1 1 112 112 TYR CB C 112 39.987 39.987 41.119 -1.132 18504 4934 1 10 . 1 1 112 112 TYR H H 112 7.905 7.905 8.066 -0.161 18504 4935 1 10 . 1 1 113 113 VAL N N 113 118.003 118.003 122.278 -4.275 18504 4936 1 10 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.909 0.197 18504 4937 1 10 . 1 1 113 113 VAL C C 113 175.134 175.134 174.941 0.193 18504 4938 1 10 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.971 -1.284 18504 4939 1 10 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.696 2.532 18504 4940 1 10 . 1 1 113 113 VAL H H 113 6.976 6.976 8.076 -1.100 18504 4941 1 11 . 1 1 27 27 SER HA H 27 4.339 4.339 4.180 0.159 18504 4942 1 11 . 1 1 27 27 SER C C 27 175.743 175.743 173.028 2.715 18504 4943 1 11 . 1 1 27 27 SER CA C 27 60.497 60.497 60.323 0.174 18504 4944 1 11 . 1 1 27 27 SER CB C 27 63.659 63.659 63.135 0.524 18504 4945 1 11 . 1 1 28 28 LYS N N 28 118.099 118.099 120.894 -2.795 18504 4946 1 11 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.564 0.654 18504 4947 1 11 . 1 1 28 28 LYS C C 28 175.699 175.699 174.982 0.717 18504 4948 1 11 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.751 -0.206 18504 4949 1 11 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.265 1.648 18504 4950 1 11 . 1 1 28 28 LYS H H 28 7.785 7.785 8.017 -0.232 18504 4951 1 11 . 1 1 29 29 GLN N N 29 122.481 122.481 121.641 0.840 18504 4952 1 11 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.627 0.111 18504 4953 1 11 . 1 1 29 29 GLN C C 29 174.277 174.277 173.495 0.782 18504 4954 1 11 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.770 0.755 18504 4955 1 11 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.849 -0.980 18504 4956 1 11 . 1 1 29 29 GLN H H 29 9.283 9.283 8.271 1.012 18504 4957 1 11 . 1 1 30 30 GLU N N 30 122.881 122.881 120.371 2.510 18504 4958 1 11 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.895 -0.619 18504 4959 1 11 . 1 1 30 30 GLU C C 30 173.313 173.313 175.003 -1.690 18504 4960 1 11 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.682 1.272 18504 4961 1 11 . 1 1 30 30 GLU CB C 30 31.054 31.054 32.246 -1.192 18504 4962 1 11 . 1 1 30 30 GLU H H 30 9.188 9.188 8.452 0.736 18504 4963 1 11 . 1 1 31 31 LEU N N 31 130.328 130.328 125.148 5.180 18504 4964 1 11 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.674 -0.381 18504 4965 1 11 . 1 1 31 31 LEU C C 31 171.909 171.909 175.953 -4.044 18504 4966 1 11 . 1 1 31 31 LEU CA C 31 53.281 53.281 54.099 -0.819 18504 4967 1 11 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.714 -2.264 18504 4968 1 11 . 1 1 31 31 LEU H H 31 9.016 9.016 8.734 0.282 18504 4969 1 11 . 1 1 32 32 ILE N N 32 120.632 120.632 120.673 -0.041 18504 4970 1 11 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.416 1.112 18504 4971 1 11 . 1 1 32 32 ILE C C 32 175.735 175.735 174.039 1.696 18504 4972 1 11 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.497 -1.273 18504 4973 1 11 . 1 1 32 32 ILE CB C 32 36.625 36.625 39.090 -2.465 18504 4974 1 11 . 1 1 32 32 ILE H H 32 8.738 8.738 8.099 0.639 18504 4975 1 11 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.605 -0.608 18504 4976 1 11 . 1 1 33 33 LEU C C 33 180.030 180.030 174.821 5.209 18504 4977 1 11 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.380 4.953 18504 4978 1 11 . 1 1 33 33 LEU CB C 33 41.433 41.433 46.599 -5.166 18504 4979 1 11 . 1 1 34 34 VAL N N 34 124.025 124.025 117.620 6.405 18504 4980 1 11 . 1 1 34 34 VAL HA H 34 3.617 3.617 3.612 0.005 18504 4981 1 11 . 1 1 34 34 VAL C C 34 178.222 178.222 174.603 3.619 18504 4982 1 11 . 1 1 34 34 VAL CA C 34 66.122 66.122 63.095 3.027 18504 4983 1 11 . 1 1 34 34 VAL CB C 34 37.942 37.942 31.544 6.398 18504 4984 1 11 . 1 1 34 34 VAL H H 34 7.751 7.751 8.590 -0.839 18504 4985 1 11 . 1 1 35 35 LEU N N 35 120.009 120.009 127.869 -7.860 18504 4986 1 11 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.588 -0.312 18504 4987 1 11 . 1 1 35 35 LEU C C 35 175.855 175.855 175.833 0.022 18504 4988 1 11 . 1 1 35 35 LEU CA C 35 57.375 57.375 56.090 1.285 18504 4989 1 11 . 1 1 35 35 LEU CB C 35 43.089 43.089 43.337 -0.249 18504 4990 1 11 . 1 1 35 35 LEU H H 35 7.532 7.532 8.541 -1.009 18504 4991 1 11 . 1 1 36 36 LYS N N 36 115.805 115.805 120.547 -4.742 18504 4992 1 11 . 1 1 36 36 LYS C C 36 178.903 178.903 175.800 3.103 18504 4993 1 11 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.875 1.472 18504 4994 1 11 . 1 1 36 36 LYS CB C 36 32.903 32.903 32.594 0.309 18504 4995 1 11 . 1 1 36 36 LYS H H 36 7.501 7.501 7.771 -0.270 18504 4996 1 11 . 1 1 37 37 GLY N N 37 110.626 110.626 112.748 -2.122 18504 4997 1 11 . 1 1 37 37 GLY C C 37 174.865 174.865 174.018 0.847 18504 4998 1 11 . 1 1 37 37 GLY CA C 37 47.466 47.466 46.181 1.285 18504 4999 1 11 . 1 1 37 37 GLY H H 37 8.811 8.811 8.483 0.328 18504 5000 1 11 . 1 1 38 38 GLU N N 38 116.098 116.098 121.073 -4.975 18504 5001 1 11 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.570 -0.268 18504 5002 1 11 . 1 1 38 38 GLU C C 38 176.681 176.681 175.905 0.776 18504 5003 1 11 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.800 0.383 18504 5004 1 11 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.419 -1.590 18504 5005 1 11 . 1 1 38 38 GLU H H 38 8.763 8.763 8.247 0.516 18504 5006 1 11 . 1 1 39 39 LEU N N 39 119.439 119.439 123.044 -3.605 18504 5007 1 11 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.427 -0.161 18504 5008 1 11 . 1 1 39 39 LEU C C 39 176.016 176.016 178.005 -1.989 18504 5009 1 11 . 1 1 39 39 LEU CA C 39 54.725 54.725 56.073 -1.348 18504 5010 1 11 . 1 1 39 39 LEU CB C 39 43.602 43.602 43.147 0.455 18504 5011 1 11 . 1 1 39 39 LEU H H 39 7.167 7.167 8.648 -1.481 18504 5012 1 11 . 1 1 40 40 ASP N N 40 120.105 120.105 120.286 -0.181 18504 5013 1 11 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.489 0.238 18504 5014 1 11 . 1 1 40 40 ASP C C 40 178.198 178.198 176.820 1.378 18504 5015 1 11 . 1 1 40 40 ASP CA C 40 52.190 52.190 56.135 -3.945 18504 5016 1 11 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.501 -0.944 18504 5017 1 11 . 1 1 40 40 ASP H H 40 8.596 8.596 8.324 0.272 18504 5018 1 11 . 1 1 41 41 LEU N N 41 125.023 125.023 116.263 8.760 18504 5019 1 11 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.581 -0.828 18504 5020 1 11 . 1 1 41 41 LEU C C 41 175.113 175.113 175.447 -0.334 18504 5021 1 11 . 1 1 41 41 LEU CA C 41 56.667 56.667 53.871 2.796 18504 5022 1 11 . 1 1 41 41 LEU CB C 41 39.849 39.849 43.662 -3.813 18504 5023 1 11 . 1 1 41 41 LEU H H 41 9.029 9.029 7.721 1.308 18504 5024 1 11 . 1 1 42 42 HIS N N 42 113.184 113.184 113.624 -0.440 18504 5025 1 11 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.859 -0.335 18504 5026 1 11 . 1 1 42 42 HIS C C 42 175.855 175.855 176.252 -0.397 18504 5027 1 11 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.689 0.227 18504 5028 1 11 . 1 1 42 42 HIS CB C 42 30.137 30.137 31.144 -1.007 18504 5029 1 11 . 1 1 42 42 HIS H H 42 8.065 8.065 8.134 -0.069 18504 5030 1 11 . 1 1 43 43 SER N N 43 116.013 116.013 115.031 0.982 18504 5031 1 11 . 1 1 43 43 SER HA H 43 4.524 4.524 3.950 0.574 18504 5032 1 11 . 1 1 43 43 SER C C 43 174.426 174.426 175.914 -1.488 18504 5033 1 11 . 1 1 43 43 SER CA C 43 58.206 58.206 60.927 -2.721 18504 5034 1 11 . 1 1 43 43 SER CB C 43 65.517 65.517 61.513 4.004 18504 5035 1 11 . 1 1 43 43 SER H H 43 7.511 7.511 8.337 -0.826 18504 5036 1 11 . 1 1 44 44 LYS N N 44 123.332 123.332 121.924 1.408 18504 5037 1 11 . 1 1 44 44 LYS C C 44 177.791 177.791 178.594 -0.803 18504 5038 1 11 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.691 0.765 18504 5039 1 11 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.071 -1.899 18504 5040 1 11 . 1 1 44 44 LYS H H 44 8.846 8.846 8.404 0.442 18504 5041 1 11 . 1 1 45 45 ASN N N 45 118.501 118.501 117.262 1.239 18504 5042 1 11 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.426 0.044 18504 5043 1 11 . 1 1 45 45 ASN C C 45 177.817 177.817 177.351 0.466 18504 5044 1 11 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.240 0.688 18504 5045 1 11 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.045 0.359 18504 5046 1 11 . 1 1 45 45 ASN H H 45 8.545 8.545 8.516 0.029 18504 5047 1 11 . 1 1 46 46 MET N N 46 116.171 116.171 118.050 -1.879 18504 5048 1 11 . 1 1 46 46 MET HA H 46 4.471 4.471 4.402 0.069 18504 5049 1 11 . 1 1 46 46 MET C C 46 178.964 178.964 178.009 0.955 18504 5050 1 11 . 1 1 46 46 MET CA C 46 55.467 55.467 58.932 -3.465 18504 5051 1 11 . 1 1 46 46 MET CB C 46 29.707 29.707 32.173 -2.466 18504 5052 1 11 . 1 1 46 46 MET H H 46 7.379 7.379 7.837 -0.458 18504 5053 1 11 . 1 1 47 47 LYS N N 47 121.054 121.054 118.105 2.949 18504 5054 1 11 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.122 -0.238 18504 5055 1 11 . 1 1 47 47 LYS C C 47 179.310 179.310 179.203 0.107 18504 5056 1 11 . 1 1 47 47 LYS CA C 47 60.339 60.339 57.977 2.361 18504 5057 1 11 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.508 0.242 18504 5058 1 11 . 1 1 47 47 LYS H H 47 8.450 8.450 7.720 0.730 18504 5059 1 11 . 1 1 48 48 ASN N N 48 117.137 117.137 118.815 -1.678 18504 5060 1 11 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.534 -0.653 18504 5061 1 11 . 1 1 48 48 ASN C C 48 177.733 177.733 177.506 0.227 18504 5062 1 11 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.243 0.297 18504 5063 1 11 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.492 -0.159 18504 5064 1 11 . 1 1 48 48 ASN H H 48 7.896 7.896 8.114 -0.218 18504 5065 1 11 . 1 1 49 49 VAL N N 49 121.225 121.225 120.045 1.180 18504 5066 1 11 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.668 0.011 18504 5067 1 11 . 1 1 49 49 VAL C C 49 176.675 176.675 177.501 -0.826 18504 5068 1 11 . 1 1 49 49 VAL CA C 49 66.434 66.434 65.759 0.675 18504 5069 1 11 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.228 0.841 18504 5070 1 11 . 1 1 49 49 VAL H H 49 7.869 7.869 7.521 0.348 18504 5071 1 11 . 1 1 50 50 ILE N N 50 120.523 120.523 120.352 0.171 18504 5072 1 11 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.383 0.867 18504 5073 1 11 . 1 1 50 50 ILE C C 50 179.831 179.831 176.987 2.844 18504 5074 1 11 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.411 -6.471 18504 5075 1 11 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.802 2.310 18504 5076 1 11 . 1 1 50 50 ILE H H 50 8.093 8.093 7.398 0.695 18504 5077 1 11 . 1 1 51 51 ASN N N 51 117.280 117.280 117.619 -0.339 18504 5078 1 11 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.314 -0.295 18504 5079 1 11 . 1 1 51 51 ASN C C 51 178.496 178.496 177.642 0.854 18504 5080 1 11 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.852 -0.240 18504 5081 1 11 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.412 -0.057 18504 5082 1 11 . 1 1 51 51 ASN H H 51 7.953 7.953 7.791 0.162 18504 5083 1 11 . 1 1 52 52 ASN N N 52 118.893 118.893 119.283 -0.390 18504 5084 1 11 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.399 0.016 18504 5085 1 11 . 1 1 52 52 ASN C C 52 176.434 176.434 177.217 -0.783 18504 5086 1 11 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.378 0.392 18504 5087 1 11 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.502 -0.149 18504 5088 1 11 . 1 1 52 52 ASN H H 52 8.347 8.347 7.817 0.530 18504 5089 1 11 . 1 1 53 53 ALA N N 53 122.291 122.291 122.056 0.235 18504 5090 1 11 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.074 0.440 18504 5091 1 11 . 1 1 53 53 ALA C C 53 180.689 180.689 179.544 1.145 18504 5092 1 11 . 1 1 53 53 ALA CA C 53 54.901 54.901 54.989 -0.087 18504 5093 1 11 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.340 -0.439 18504 5094 1 11 . 1 1 53 53 ALA H H 53 7.706 7.706 8.520 -0.814 18504 5095 1 11 . 1 1 54 54 LYS N N 54 119.091 119.091 118.378 0.713 18504 5096 1 11 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.107 -0.270 18504 5097 1 11 . 1 1 54 54 LYS C C 54 178.066 178.066 178.853 -0.787 18504 5098 1 11 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.104 1.202 18504 5099 1 11 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.277 -0.189 18504 5100 1 11 . 1 1 54 54 LYS H H 54 8.375 8.375 7.623 0.752 18504 5101 1 11 . 1 1 55 55 LYS N N 55 119.370 119.370 119.878 -0.508 18504 5102 1 11 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.946 -0.073 18504 5103 1 11 . 1 1 55 55 LYS C C 55 179.819 179.819 179.140 0.679 18504 5104 1 11 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.531 0.755 18504 5105 1 11 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.054 -0.064 18504 5106 1 11 . 1 1 55 55 LYS H H 55 8.259 8.259 7.703 0.556 18504 5107 1 11 . 1 1 56 56 ASN N N 56 119.303 119.303 118.127 1.176 18504 5108 1 11 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.317 0.092 18504 5109 1 11 . 1 1 56 56 ASN C C 56 178.899 178.899 177.687 1.212 18504 5110 1 11 . 1 1 56 56 ASN CA C 56 55.740 55.740 56.300 -0.560 18504 5111 1 11 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.465 -1.362 18504 5112 1 11 . 1 1 56 56 ASN H H 56 8.235 8.235 7.810 0.425 18504 5113 1 11 . 1 1 57 57 LEU N N 57 123.252 123.252 121.948 1.304 18504 5114 1 11 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.368 0.314 18504 5115 1 11 . 1 1 57 57 LEU C C 57 178.541 178.541 179.806 -1.265 18504 5116 1 11 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.651 -0.452 18504 5117 1 11 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.146 0.480 18504 5118 1 11 . 1 1 57 57 LEU H H 57 8.210 8.210 7.948 0.262 18504 5119 1 11 . 1 1 58 58 GLU N N 58 118.795 118.795 117.277 1.518 18504 5120 1 11 . 1 1 58 58 GLU HA H 58 4.003 4.003 4.031 -0.028 18504 5121 1 11 . 1 1 58 58 GLU C C 58 177.333 177.333 178.991 -1.658 18504 5122 1 11 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.295 1.850 18504 5123 1 11 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.030 1.282 18504 5124 1 11 . 1 1 58 58 GLU H H 58 8.846 8.846 8.329 0.517 18504 5125 1 11 . 1 1 59 59 LYS N N 59 118.325 118.325 119.935 -1.610 18504 5126 1 11 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.915 0.560 18504 5127 1 11 . 1 1 59 59 LYS C C 59 178.428 178.428 179.271 -0.843 18504 5128 1 11 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.426 0.719 18504 5129 1 11 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.064 0.624 18504 5130 1 11 . 1 1 59 59 LYS H H 59 8.373 8.373 7.932 0.441 18504 5131 1 11 . 1 1 60 60 TYR N N 60 119.345 119.345 117.072 2.273 18504 5132 1 11 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.272 0.055 18504 5133 1 11 . 1 1 60 60 TYR C C 60 178.899 178.899 178.242 0.657 18504 5134 1 11 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.145 2.249 18504 5135 1 11 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.460 -0.166 18504 5136 1 11 . 1 1 60 60 TYR H H 60 7.532 7.532 7.511 0.021 18504 5137 1 11 . 1 1 61 61 PHE N N 61 118.931 118.931 121.024 -2.093 18504 5138 1 11 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.556 -0.228 18504 5139 1 11 . 1 1 61 61 PHE C C 61 178.450 178.450 176.920 1.530 18504 5140 1 11 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.740 1.654 18504 5141 1 11 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.644 -1.720 18504 5142 1 11 . 1 1 61 61 PHE H H 61 8.607 8.607 8.128 0.479 18504 5143 1 11 . 1 1 62 62 LYS N N 62 118.337 118.337 119.094 -0.757 18504 5144 1 11 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.275 0.027 18504 5145 1 11 . 1 1 62 62 LYS C C 62 178.333 178.333 177.860 0.473 18504 5146 1 11 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.887 0.424 18504 5147 1 11 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.645 0.204 18504 5148 1 11 . 1 1 62 62 LYS H H 62 8.615 8.615 8.586 0.029 18504 5149 1 11 . 1 1 63 63 GLU N N 63 116.360 116.360 117.547 -1.187 18504 5150 1 11 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.282 -0.356 18504 5151 1 11 . 1 1 63 63 GLU C C 63 177.317 177.317 178.018 -0.701 18504 5152 1 11 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.877 0.440 18504 5153 1 11 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.860 -1.504 18504 5154 1 11 . 1 1 63 63 GLU H H 63 7.547 7.547 7.795 -0.248 18504 5155 1 11 . 1 1 64 64 HIS N N 64 113.580 113.580 117.238 -3.658 18504 5156 1 11 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.611 -0.190 18504 5157 1 11 . 1 1 64 64 HIS C C 64 173.911 173.911 175.270 -1.359 18504 5158 1 11 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.193 2.889 18504 5159 1 11 . 1 1 64 64 HIS CB C 64 31.835 31.835 29.705 2.130 18504 5160 1 11 . 1 1 64 64 HIS H H 64 7.013 7.013 8.046 -1.033 18504 5161 1 11 . 1 1 65 65 PHE N N 65 119.434 119.434 116.018 3.416 18504 5162 1 11 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.144 0.792 18504 5163 1 11 . 1 1 65 65 PHE C C 65 175.232 175.232 174.239 0.993 18504 5164 1 11 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.065 -1.842 18504 5165 1 11 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.529 2.833 18504 5166 1 11 . 1 1 65 65 PHE H H 65 8.340 8.340 8.360 -0.020 18504 5167 1 11 . 1 1 66 66 LYS N N 66 123.217 123.217 118.483 4.734 18504 5168 1 11 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.909 0.379 18504 5169 1 11 . 1 1 66 66 LYS C C 66 177.685 177.685 174.359 3.326 18504 5170 1 11 . 1 1 66 66 LYS CA C 66 58.798 58.798 54.592 4.206 18504 5171 1 11 . 1 1 66 66 LYS CB C 66 32.473 32.473 36.063 -3.590 18504 5172 1 11 . 1 1 66 66 LYS H H 66 8.590 8.590 7.341 1.249 18504 5173 1 11 . 1 1 67 67 GLU N N 67 117.085 117.085 123.172 -6.087 18504 5174 1 11 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.633 -0.272 18504 5175 1 11 . 1 1 67 67 GLU C C 67 175.770 175.770 175.262 0.508 18504 5176 1 11 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.501 -0.137 18504 5177 1 11 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.317 -1.214 18504 5178 1 11 . 1 1 67 67 GLU H H 67 8.969 8.969 8.542 0.427 18504 5179 1 11 . 1 1 68 68 PHE N N 68 121.127 121.127 122.592 -1.465 18504 5180 1 11 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.646 -0.374 18504 5181 1 11 . 1 1 68 68 PHE C C 68 173.621 173.621 173.772 -0.151 18504 5182 1 11 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.283 1.813 18504 5183 1 11 . 1 1 68 68 PHE CB C 68 40.772 40.772 42.940 -2.167 18504 5184 1 11 . 1 1 68 68 PHE H H 68 7.752 7.752 8.393 -0.641 18504 5185 1 11 . 1 1 69 69 ASP N N 69 125.720 125.720 119.001 6.719 18504 5186 1 11 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.170 0.432 18504 5187 1 11 . 1 1 69 69 ASP C C 69 173.387 173.387 174.453 -1.066 18504 5188 1 11 . 1 1 69 69 ASP CA C 69 54.881 54.881 55.416 -0.535 18504 5189 1 11 . 1 1 69 69 ASP CB C 69 41.806 41.806 41.358 0.449 18504 5190 1 11 . 1 1 69 69 ASP H H 69 7.767 7.767 8.604 -0.837 18504 5191 1 11 . 1 1 70 70 LYS N N 70 115.004 115.004 123.766 -8.762 18504 5192 1 11 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.635 -0.186 18504 5193 1 11 . 1 1 70 70 LYS C C 70 175.841 175.841 174.626 1.215 18504 5194 1 11 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.802 0.684 18504 5195 1 11 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.470 -0.689 18504 5196 1 11 . 1 1 70 70 LYS H H 70 7.305 7.305 8.118 -0.813 18504 5197 1 11 . 1 1 71 71 ILE N N 71 122.809 122.809 120.791 2.018 18504 5198 1 11 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.298 0.411 18504 5199 1 11 . 1 1 71 71 ILE C C 71 175.120 175.120 173.638 1.482 18504 5200 1 11 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.343 -1.091 18504 5201 1 11 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.663 -1.361 18504 5202 1 11 . 1 1 71 71 ILE H H 71 9.522 9.522 8.427 1.095 18504 5203 1 11 . 1 1 72 72 SER N N 72 121.741 121.741 125.611 -3.870 18504 5204 1 11 . 1 1 72 72 SER HA H 72 4.920 4.920 4.895 0.025 18504 5205 1 11 . 1 1 72 72 SER C C 72 172.157 172.157 172.636 -0.479 18504 5206 1 11 . 1 1 72 72 SER CA C 72 57.730 57.730 56.792 0.938 18504 5207 1 11 . 1 1 72 72 SER CB C 72 65.634 65.634 64.455 1.179 18504 5208 1 11 . 1 1 72 72 SER H H 72 8.760 8.760 8.291 0.469 18504 5209 1 11 . 1 1 73 73 TYR N N 73 118.245 118.245 122.931 -4.686 18504 5210 1 11 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.875 0.846 18504 5211 1 11 . 1 1 73 73 TYR C C 73 173.231 173.231 174.099 -0.868 18504 5212 1 11 . 1 1 73 73 TYR CA C 73 56.230 56.230 55.690 0.540 18504 5213 1 11 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.629 1.754 18504 5214 1 11 . 1 1 73 73 TYR H H 73 8.275 8.275 8.615 -0.340 18504 5215 1 11 . 1 1 74 74 ASP N N 74 120.379 120.379 120.896 -0.517 18504 5216 1 11 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.582 0.473 18504 5217 1 11 . 1 1 74 74 ASP C C 74 174.827 174.827 173.997 0.830 18504 5218 1 11 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.102 0.499 18504 5219 1 11 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.488 1.152 18504 5220 1 11 . 1 1 74 74 ASP H H 74 9.332 9.332 8.317 1.015 18504 5221 1 11 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.337 0.247 18504 5222 1 11 . 1 1 75 75 ILE C C 75 177.411 177.411 175.676 1.735 18504 5223 1 11 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.439 -1.230 18504 5224 1 11 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.389 0.380 18504 5225 1 11 . 1 1 75 75 ILE H H 75 7.501 7.501 8.271 -0.770 18504 5226 1 11 . 1 1 76 76 SER N N 76 117.836 117.836 121.009 -3.173 18504 5227 1 11 . 1 1 76 76 SER HA H 76 5.450 5.450 4.852 0.598 18504 5228 1 11 . 1 1 76 76 SER C C 76 173.767 173.767 174.163 -0.396 18504 5229 1 11 . 1 1 76 76 SER CA C 76 57.758 57.758 57.358 0.400 18504 5230 1 11 . 1 1 76 76 SER CB C 76 64.462 64.462 64.653 -0.191 18504 5231 1 11 . 1 1 76 76 SER H H 76 9.050 9.050 8.714 0.336 18504 5232 1 11 . 1 1 77 77 THR N N 77 117.435 117.435 121.273 -3.838 18504 5233 1 11 . 1 1 77 77 THR HA H 77 4.959 4.959 4.581 0.378 18504 5234 1 11 . 1 1 77 77 THR C C 77 172.636 172.636 175.262 -2.626 18504 5235 1 11 . 1 1 77 77 THR CA C 77 58.870 58.870 65.753 -6.883 18504 5236 1 11 . 1 1 77 77 THR CB C 77 69.935 69.935 66.792 3.143 18504 5237 1 11 . 1 1 77 77 THR H H 77 8.601 8.601 8.870 -0.269 18504 5238 1 11 . 1 1 78 78 PRO C C 78 179.328 179.328 176.870 2.458 18504 5239 1 11 . 1 1 78 78 PRO CA C 78 63.483 63.483 65.834 -2.351 18504 5240 1 11 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.247 0.915 18504 5241 1 11 . 1 1 79 79 ILE N N 79 120.707 120.707 113.741 6.966 18504 5242 1 11 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.302 0.319 18504 5243 1 11 . 1 1 79 79 ILE C C 79 177.212 177.212 174.590 2.622 18504 5244 1 11 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.483 5.438 18504 5245 1 11 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.944 -0.476 18504 5246 1 11 . 1 1 79 79 ILE H H 79 8.227 8.227 7.607 0.620 18504 5247 1 11 . 1 1 80 80 ASN N N 80 118.168 118.168 116.753 1.415 18504 5248 1 11 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.342 0.088 18504 5249 1 11 . 1 1 80 80 ASN C C 80 178.172 178.172 174.099 4.073 18504 5250 1 11 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.448 2.315 18504 5251 1 11 . 1 1 80 80 ASN CB C 80 38.087 38.087 36.236 1.851 18504 5252 1 11 . 1 1 80 80 ASN H H 80 8.466 8.466 8.031 0.435 18504 5253 1 11 . 1 1 81 81 PHE N N 81 129.059 129.059 117.037 12.022 18504 5254 1 11 . 1 1 81 81 PHE C C 81 174.016 174.016 173.277 0.739 18504 5255 1 11 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.498 -2.679 18504 5256 1 11 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.639 -2.866 18504 5257 1 11 . 1 1 81 81 PHE H H 81 9.152 9.152 7.563 1.589 18504 5258 1 11 . 1 1 82 82 LEU N N 82 124.640 124.640 121.380 3.260 18504 5259 1 11 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.678 0.315 18504 5260 1 11 . 1 1 82 82 LEU C C 82 173.695 173.695 174.921 -1.226 18504 5261 1 11 . 1 1 82 82 LEU CA C 82 53.750 53.750 54.086 -0.335 18504 5262 1 11 . 1 1 82 82 LEU CB C 82 44.936 44.936 45.729 -0.793 18504 5263 1 11 . 1 1 82 82 LEU H H 82 9.147 9.147 6.931 2.216 18504 5264 1 11 . 1 1 83 83 CYS N N 83 126.066 126.066 125.239 0.827 18504 5265 1 11 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.765 0.473 18504 5266 1 11 . 1 1 83 83 CYS C C 83 173.733 173.733 172.585 1.148 18504 5267 1 11 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.708 -1.347 18504 5268 1 11 . 1 1 83 83 CYS CB C 83 28.374 28.374 30.180 -1.806 18504 5269 1 11 . 1 1 83 83 CYS H H 83 9.065 9.065 8.556 0.509 18504 5270 1 11 . 1 1 84 84 ILE N N 84 126.110 126.110 128.422 -2.312 18504 5271 1 11 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.498 -0.139 18504 5272 1 11 . 1 1 84 84 ILE C C 84 174.745 174.745 174.686 0.059 18504 5273 1 11 . 1 1 84 84 ILE CA C 84 60.519 60.519 58.907 1.613 18504 5274 1 11 . 1 1 84 84 ILE CB C 84 40.358 40.358 37.118 3.240 18504 5275 1 11 . 1 1 84 84 ILE H H 84 9.426 9.426 8.264 1.162 18504 5276 1 11 . 1 1 85 85 PHE N N 85 126.315 126.315 128.452 -2.137 18504 5277 1 11 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.693 0.326 18504 5278 1 11 . 1 1 85 85 PHE C C 85 175.358 175.358 174.825 0.533 18504 5279 1 11 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.707 1.024 18504 5280 1 11 . 1 1 85 85 PHE CB C 85 38.742 38.742 38.197 0.545 18504 5281 1 11 . 1 1 85 85 PHE H H 85 8.337 8.337 8.426 -0.089 18504 5282 1 11 . 1 1 86 86 ILE N N 86 126.561 126.561 126.723 -0.162 18504 5283 1 11 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.524 0.379 18504 5284 1 11 . 1 1 86 86 ILE C C 86 173.967 173.967 173.787 0.180 18504 5285 1 11 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.773 -2.387 18504 5286 1 11 . 1 1 86 86 ILE CB C 86 38.811 38.811 39.657 -0.846 18504 5287 1 11 . 1 1 86 86 ILE H H 86 9.161 9.161 7.842 1.319 18504 5288 1 11 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.819 0.203 18504 5289 1 11 . 1 1 87 87 PRO C C 87 177.938 177.938 175.721 2.217 18504 5290 1 11 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.466 0.042 18504 5291 1 11 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.913 0.621 18504 5292 1 11 . 1 1 88 88 THR N N 88 113.282 113.282 116.476 -3.194 18504 5293 1 11 . 1 1 88 88 THR HA H 88 4.486 4.486 4.603 -0.117 18504 5294 1 11 . 1 1 88 88 THR C C 88 176.082 176.082 173.276 2.806 18504 5295 1 11 . 1 1 88 88 THR CA C 88 60.306 60.306 60.729 -0.423 18504 5296 1 11 . 1 1 88 88 THR CB C 88 66.727 66.727 71.352 -4.625 18504 5297 1 11 . 1 1 88 88 THR H H 88 8.003 8.003 8.036 -0.033 18504 5298 1 11 . 1 1 89 89 LEU N N 89 122.317 122.317 127.882 -5.565 18504 5299 1 11 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.582 -0.573 18504 5300 1 11 . 1 1 89 89 LEU C C 89 175.776 175.776 176.145 -0.369 18504 5301 1 11 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.511 -0.542 18504 5302 1 11 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.916 -0.921 18504 5303 1 11 . 1 1 89 89 LEU H H 89 7.822 7.822 8.722 -0.900 18504 5304 1 11 . 1 1 90 90 PHE N N 90 114.801 114.801 117.909 -3.108 18504 5305 1 11 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.108 1.452 18504 5306 1 11 . 1 1 90 90 PHE C C 90 175.869 175.869 173.901 1.968 18504 5307 1 11 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.814 -3.718 18504 5308 1 11 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.182 1.925 18504 5309 1 11 . 1 1 90 90 PHE H H 90 7.110 7.110 7.667 -0.557 18504 5310 1 11 . 1 1 91 91 ASP N N 91 127.244 127.244 123.007 4.237 18504 5311 1 11 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.034 0.523 18504 5312 1 11 . 1 1 91 91 ASP C C 91 175.684 175.684 176.034 -0.350 18504 5313 1 11 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.543 -1.574 18504 5314 1 11 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.698 0.518 18504 5315 1 11 . 1 1 91 91 ASP H H 91 9.852 9.852 8.588 1.264 18504 5316 1 11 . 1 1 92 92 MET N N 92 113.730 113.730 118.709 -4.979 18504 5317 1 11 . 1 1 92 92 MET HA H 92 4.278 4.278 4.210 0.068 18504 5318 1 11 . 1 1 92 92 MET C C 92 177.571 177.571 178.522 -0.951 18504 5319 1 11 . 1 1 92 92 MET CA C 92 58.815 58.815 58.976 -0.161 18504 5320 1 11 . 1 1 92 92 MET CB C 92 32.010 32.010 32.700 -0.690 18504 5321 1 11 . 1 1 92 92 MET H H 92 8.574 8.574 8.343 0.231 18504 5322 1 11 . 1 1 93 93 ASN N N 93 115.175 115.175 116.201 -1.026 18504 5323 1 11 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.602 0.147 18504 5324 1 11 . 1 1 93 93 ASN C C 93 176.300 176.300 175.542 0.758 18504 5325 1 11 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.768 0.425 18504 5326 1 11 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.132 1.294 18504 5327 1 11 . 1 1 93 93 ASN H H 93 8.576 8.576 8.924 -0.348 18504 5328 1 11 . 1 1 94 94 ASN N N 94 119.005 119.005 114.204 4.801 18504 5329 1 11 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.367 0.824 18504 5330 1 11 . 1 1 94 94 ASN C C 94 177.230 177.230 174.683 2.547 18504 5331 1 11 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.447 -1.816 18504 5332 1 11 . 1 1 94 94 ASN CB C 94 38.093 38.093 38.010 0.083 18504 5333 1 11 . 1 1 94 94 ASN H H 94 8.049 8.049 8.528 -0.479 18504 5334 1 11 . 1 1 95 95 MET N N 95 117.771 117.771 115.587 2.184 18504 5335 1 11 . 1 1 95 95 MET HA H 95 4.048 4.048 4.660 -0.612 18504 5336 1 11 . 1 1 95 95 MET C C 95 178.005 178.005 174.840 3.165 18504 5337 1 11 . 1 1 95 95 MET CA C 95 58.275 58.275 56.623 1.652 18504 5338 1 11 . 1 1 95 95 MET CB C 95 32.327 32.327 34.299 -1.972 18504 5339 1 11 . 1 1 95 95 MET H H 95 7.489 7.489 8.270 -0.781 18504 5340 1 11 . 1 1 96 96 ASP N N 96 115.629 115.629 119.181 -3.552 18504 5341 1 11 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.777 -0.174 18504 5342 1 11 . 1 1 96 96 ASP C C 96 175.593 175.593 174.931 0.662 18504 5343 1 11 . 1 1 96 96 ASP CA C 96 54.940 54.940 52.995 1.946 18504 5344 1 11 . 1 1 96 96 ASP CB C 96 39.445 39.445 44.560 -5.115 18504 5345 1 11 . 1 1 96 96 ASP H H 96 7.777 7.777 8.093 -0.316 18504 5346 1 11 . 1 1 97 97 LEU N N 97 116.343 116.343 112.216 4.127 18504 5347 1 11 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.721 -0.104 18504 5348 1 11 . 1 1 97 97 LEU C C 97 174.835 174.835 176.324 -1.489 18504 5349 1 11 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.781 -1.348 18504 5350 1 11 . 1 1 97 97 LEU CB C 97 39.082 39.082 41.831 -2.749 18504 5351 1 11 . 1 1 97 97 LEU H H 97 8.027 8.027 7.904 0.123 18504 5352 1 11 . 1 1 98 98 LEU N N 98 118.769 118.769 120.745 -1.976 18504 5353 1 11 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.409 -1.045 18504 5354 1 11 . 1 1 98 98 LEU C C 98 177.586 177.586 178.576 -0.990 18504 5355 1 11 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.884 0.335 18504 5356 1 11 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.409 -2.309 18504 5357 1 11 . 1 1 98 98 LEU H H 98 7.798 7.798 7.860 -0.062 18504 5358 1 11 . 1 1 99 99 LYS N N 99 117.567 117.567 119.968 -2.401 18504 5359 1 11 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.920 -0.504 18504 5360 1 11 . 1 1 99 99 LYS C C 99 177.639 177.639 178.825 -1.186 18504 5361 1 11 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.405 1.428 18504 5362 1 11 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.971 0.073 18504 5363 1 11 . 1 1 99 99 LYS H H 99 7.603 7.603 8.493 -0.890 18504 5364 1 11 . 1 1 100 100 GLN N N 100 114.564 114.564 117.133 -2.569 18504 5365 1 11 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.192 -0.380 18504 5366 1 11 . 1 1 100 100 GLN C C 100 178.165 178.165 177.827 0.338 18504 5367 1 11 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.479 0.305 18504 5368 1 11 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.701 -1.218 18504 5369 1 11 . 1 1 100 100 GLN H H 100 7.625 7.625 7.800 -0.175 18504 5370 1 11 . 1 1 101 101 ALA N N 101 121.499 121.499 122.029 -0.530 18504 5371 1 11 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.134 -0.846 18504 5372 1 11 . 1 1 101 101 ALA C C 101 178.865 178.865 179.413 -0.548 18504 5373 1 11 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.607 0.357 18504 5374 1 11 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.428 -0.567 18504 5375 1 11 . 1 1 101 101 ALA H H 101 7.355 7.355 7.968 -0.613 18504 5376 1 11 . 1 1 102 102 LEU N N 102 115.061 115.061 119.124 -4.063 18504 5377 1 11 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.133 0.633 18504 5378 1 11 . 1 1 102 102 LEU C C 102 179.324 179.324 178.142 1.182 18504 5379 1 11 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.119 0.377 18504 5380 1 11 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.676 -0.948 18504 5381 1 11 . 1 1 102 102 LEU H H 102 7.941 7.941 8.804 -0.863 18504 5382 1 11 . 1 1 103 103 LEU N N 103 115.920 115.920 119.146 -3.226 18504 5383 1 11 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.139 0.698 18504 5384 1 11 . 1 1 103 103 LEU C C 103 178.500 178.500 179.115 -0.615 18504 5385 1 11 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.368 -2.479 18504 5386 1 11 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.295 2.470 18504 5387 1 11 . 1 1 103 103 LEU H H 103 8.266 8.266 7.568 0.698 18504 5388 1 11 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.122 0.513 18504 5389 1 11 . 1 1 105 105 LEU C C 105 175.743 175.743 178.452 -2.709 18504 5390 1 11 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.012 0.085 18504 5391 1 11 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.911 -2.133 18504 5392 1 11 . 1 1 106 106 HIS N N 106 122.167 122.167 118.518 3.649 18504 5393 1 11 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.094 0.172 18504 5394 1 11 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.480 -3.366 18504 5395 1 11 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.144 -0.019 18504 5396 1 11 . 1 1 106 106 HIS H H 106 8.252 8.252 8.070 0.182 18504 5397 1 11 . 1 1 107 107 ASN C C 107 179.694 179.694 176.914 2.780 18504 5398 1 11 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.581 1.750 18504 5399 1 11 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.514 3.483 18504 5400 1 11 . 1 1 108 108 ASP N N 108 122.462 122.462 119.226 3.236 18504 5401 1 11 . 1 1 108 108 ASP C C 108 179.328 179.328 176.531 2.797 18504 5402 1 11 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.748 0.941 18504 5403 1 11 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.201 0.839 18504 5404 1 11 . 1 1 108 108 ASP H H 108 8.174 8.174 7.720 0.454 18504 5405 1 11 . 1 1 109 109 LEU N N 109 115.664 115.664 116.912 -1.248 18504 5406 1 11 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.269 0.583 18504 5407 1 11 . 1 1 109 109 LEU C C 109 178.510 178.510 177.021 1.489 18504 5408 1 11 . 1 1 109 109 LEU CA C 109 55.154 55.154 54.239 0.915 18504 5409 1 11 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.285 1.863 18504 5410 1 11 . 1 1 109 109 LEU H H 109 8.380 8.380 7.196 1.184 18504 5411 1 11 . 1 1 110 110 HIS N N 110 118.905 118.905 117.638 1.267 18504 5412 1 11 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.259 -0.349 18504 5413 1 11 . 1 1 110 110 HIS C C 110 176.152 176.152 176.280 -0.128 18504 5414 1 11 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.798 3.214 18504 5415 1 11 . 1 1 110 110 HIS CB C 110 28.112 28.112 30.385 -2.273 18504 5416 1 11 . 1 1 110 110 HIS H H 110 8.518 8.518 7.908 0.610 18504 5417 1 11 . 1 1 111 111 GLU N N 111 117.923 117.923 116.630 1.293 18504 5418 1 11 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.112 -0.381 18504 5419 1 11 . 1 1 111 111 GLU C C 111 176.596 176.596 176.606 -0.010 18504 5420 1 11 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.253 0.141 18504 5421 1 11 . 1 1 111 111 GLU CB C 111 29.044 29.044 31.294 -2.250 18504 5422 1 11 . 1 1 111 111 GLU H H 111 8.018 8.018 8.248 -0.230 18504 5423 1 11 . 1 1 112 112 TYR N N 112 114.607 114.607 116.343 -1.736 18504 5424 1 11 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.379 0.058 18504 5425 1 11 . 1 1 112 112 TYR C C 112 174.448 174.448 174.695 -0.247 18504 5426 1 11 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.978 -1.206 18504 5427 1 11 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.809 0.178 18504 5428 1 11 . 1 1 112 112 TYR H H 112 7.905 7.905 8.087 -0.182 18504 5429 1 11 . 1 1 113 113 VAL N N 113 118.003 118.003 121.828 -3.825 18504 5430 1 11 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.850 0.256 18504 5431 1 11 . 1 1 113 113 VAL C C 113 175.134 175.134 174.416 0.718 18504 5432 1 11 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.661 -0.974 18504 5433 1 11 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.531 2.697 18504 5434 1 11 . 1 1 113 113 VAL H H 113 6.976 6.976 8.226 -1.250 18504 5435 1 12 . 1 1 27 27 SER HA H 27 4.339 4.339 4.903 -0.564 18504 5436 1 12 . 1 1 27 27 SER C C 27 175.743 175.743 172.671 3.072 18504 5437 1 12 . 1 1 27 27 SER CA C 27 60.497 60.497 57.315 3.182 18504 5438 1 12 . 1 1 27 27 SER CB C 27 63.659 63.659 66.181 -2.522 18504 5439 1 12 . 1 1 28 28 LYS N N 28 118.099 118.099 120.285 -2.186 18504 5440 1 12 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.443 0.775 18504 5441 1 12 . 1 1 28 28 LYS C C 28 175.699 175.699 175.471 0.228 18504 5442 1 12 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.234 0.311 18504 5443 1 12 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.663 1.250 18504 5444 1 12 . 1 1 28 28 LYS H H 28 7.785 7.785 8.448 -0.663 18504 5445 1 12 . 1 1 29 29 GLN N N 29 122.481 122.481 122.157 0.324 18504 5446 1 12 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.583 0.155 18504 5447 1 12 . 1 1 29 29 GLN C C 29 174.277 174.277 173.976 0.301 18504 5448 1 12 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.148 1.377 18504 5449 1 12 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.749 0.120 18504 5450 1 12 . 1 1 29 29 GLN H H 29 9.283 9.283 8.288 0.995 18504 5451 1 12 . 1 1 30 30 GLU N N 30 122.881 122.881 121.814 1.067 18504 5452 1 12 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.841 -0.565 18504 5453 1 12 . 1 1 30 30 GLU C C 30 173.313 173.313 174.748 -1.435 18504 5454 1 12 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.757 1.197 18504 5455 1 12 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.578 -0.524 18504 5456 1 12 . 1 1 30 30 GLU H H 30 9.188 9.188 8.474 0.714 18504 5457 1 12 . 1 1 31 31 LEU N N 31 130.328 130.328 125.470 4.858 18504 5458 1 12 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.635 -0.342 18504 5459 1 12 . 1 1 31 31 LEU C C 31 171.909 171.909 176.519 -4.610 18504 5460 1 12 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.888 -0.607 18504 5461 1 12 . 1 1 31 31 LEU CB C 31 42.450 42.450 43.029 -0.579 18504 5462 1 12 . 1 1 31 31 LEU H H 31 9.016 9.016 8.087 0.929 18504 5463 1 12 . 1 1 32 32 ILE N N 32 120.632 120.632 126.086 -5.454 18504 5464 1 12 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.072 1.456 18504 5465 1 12 . 1 1 32 32 ILE C C 32 175.735 175.735 174.761 0.974 18504 5466 1 12 . 1 1 32 32 ILE CA C 32 59.224 59.224 61.214 -1.990 18504 5467 1 12 . 1 1 32 32 ILE CB C 32 36.625 36.625 38.187 -1.562 18504 5468 1 12 . 1 1 32 32 ILE H H 32 8.738 8.738 8.641 0.097 18504 5469 1 12 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.503 -0.506 18504 5470 1 12 . 1 1 33 33 LEU C C 33 180.030 180.030 175.056 4.974 18504 5471 1 12 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.757 4.576 18504 5472 1 12 . 1 1 33 33 LEU CB C 33 41.433 41.433 43.364 -1.931 18504 5473 1 12 . 1 1 34 34 VAL N N 34 124.025 124.025 123.206 0.819 18504 5474 1 12 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.137 -0.520 18504 5475 1 12 . 1 1 34 34 VAL C C 34 178.222 178.222 174.494 3.728 18504 5476 1 12 . 1 1 34 34 VAL CA C 34 66.122 66.122 60.129 5.994 18504 5477 1 12 . 1 1 34 34 VAL CB C 34 37.942 37.942 31.882 6.060 18504 5478 1 12 . 1 1 34 34 VAL H H 34 7.751 7.751 8.491 -0.740 18504 5479 1 12 . 1 1 35 35 LEU N N 35 120.009 120.009 126.904 -6.895 18504 5480 1 12 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.654 -0.378 18504 5481 1 12 . 1 1 35 35 LEU C C 35 175.855 175.855 177.450 -1.595 18504 5482 1 12 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.735 3.640 18504 5483 1 12 . 1 1 35 35 LEU CB C 35 43.089 43.089 44.142 -1.052 18504 5484 1 12 . 1 1 35 35 LEU H H 35 7.532 7.532 8.395 -0.863 18504 5485 1 12 . 1 1 36 36 LYS N N 36 115.805 115.805 123.871 -8.066 18504 5486 1 12 . 1 1 36 36 LYS C C 36 178.903 178.903 176.617 2.286 18504 5487 1 12 . 1 1 36 36 LYS CA C 36 58.347 58.347 55.981 2.366 18504 5488 1 12 . 1 1 36 36 LYS CB C 36 32.903 32.903 30.904 1.999 18504 5489 1 12 . 1 1 36 36 LYS H H 36 7.501 7.501 8.793 -1.292 18504 5490 1 12 . 1 1 37 37 GLY N N 37 110.626 110.626 108.959 1.667 18504 5491 1 12 . 1 1 37 37 GLY C C 37 174.865 174.865 174.343 0.522 18504 5492 1 12 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.138 2.328 18504 5493 1 12 . 1 1 37 37 GLY H H 37 8.811 8.811 7.972 0.839 18504 5494 1 12 . 1 1 38 38 GLU N N 38 116.098 116.098 122.695 -6.597 18504 5495 1 12 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.287 0.015 18504 5496 1 12 . 1 1 38 38 GLU C C 38 176.681 176.681 175.587 1.094 18504 5497 1 12 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.915 0.269 18504 5498 1 12 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.386 -1.557 18504 5499 1 12 . 1 1 38 38 GLU H H 38 8.763 8.763 8.544 0.219 18504 5500 1 12 . 1 1 39 39 LEU N N 39 119.439 119.439 121.175 -1.736 18504 5501 1 12 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.046 0.220 18504 5502 1 12 . 1 1 39 39 LEU C C 39 176.016 176.016 174.541 1.475 18504 5503 1 12 . 1 1 39 39 LEU CA C 39 54.725 54.725 56.093 -1.368 18504 5504 1 12 . 1 1 39 39 LEU CB C 39 43.602 43.602 41.438 2.164 18504 5505 1 12 . 1 1 39 39 LEU H H 39 7.167 7.167 8.133 -0.966 18504 5506 1 12 . 1 1 40 40 ASP N N 40 120.105 120.105 120.222 -0.117 18504 5507 1 12 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.879 -0.151 18504 5508 1 12 . 1 1 40 40 ASP C C 40 178.198 178.198 175.139 3.059 18504 5509 1 12 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.544 -1.354 18504 5510 1 12 . 1 1 40 40 ASP CB C 40 40.557 40.557 42.314 -1.757 18504 5511 1 12 . 1 1 40 40 ASP H H 40 8.596 8.596 8.026 0.570 18504 5512 1 12 . 1 1 41 41 LEU N N 41 125.023 125.023 125.599 -0.576 18504 5513 1 12 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.705 -0.952 18504 5514 1 12 . 1 1 41 41 LEU C C 41 175.113 175.113 176.045 -0.932 18504 5515 1 12 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.093 1.574 18504 5516 1 12 . 1 1 41 41 LEU CB C 41 39.849 39.849 41.013 -1.164 18504 5517 1 12 . 1 1 41 41 LEU H H 41 9.029 9.029 8.505 0.524 18504 5518 1 12 . 1 1 42 42 HIS N N 42 113.184 113.184 123.883 -10.699 18504 5519 1 12 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.708 -0.184 18504 5520 1 12 . 1 1 42 42 HIS C C 42 175.855 175.855 173.818 2.037 18504 5521 1 12 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.324 -0.408 18504 5522 1 12 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.907 -0.770 18504 5523 1 12 . 1 1 42 42 HIS H H 42 8.065 8.065 8.620 -0.555 18504 5524 1 12 . 1 1 43 43 SER N N 43 116.013 116.013 116.886 -0.873 18504 5525 1 12 . 1 1 43 43 SER HA H 43 4.524 4.524 4.641 -0.117 18504 5526 1 12 . 1 1 43 43 SER C C 43 174.426 174.426 175.149 -0.723 18504 5527 1 12 . 1 1 43 43 SER CA C 43 58.206 58.206 57.290 0.916 18504 5528 1 12 . 1 1 43 43 SER CB C 43 65.517 65.517 64.329 1.188 18504 5529 1 12 . 1 1 43 43 SER H H 43 7.511 7.511 8.113 -0.602 18504 5530 1 12 . 1 1 44 44 LYS N N 44 123.332 123.332 125.970 -2.638 18504 5531 1 12 . 1 1 44 44 LYS C C 44 177.791 177.791 177.345 0.446 18504 5532 1 12 . 1 1 44 44 LYS CA C 44 59.456 59.456 55.831 3.625 18504 5533 1 12 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.120 -1.948 18504 5534 1 12 . 1 1 44 44 LYS H H 44 8.846 8.846 8.704 0.142 18504 5535 1 12 . 1 1 45 45 ASN N N 45 118.501 118.501 119.492 -0.991 18504 5536 1 12 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.260 0.210 18504 5537 1 12 . 1 1 45 45 ASN C C 45 177.817 177.817 177.006 0.811 18504 5538 1 12 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.800 0.128 18504 5539 1 12 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.561 -0.157 18504 5540 1 12 . 1 1 45 45 ASN H H 45 8.545 8.545 7.857 0.688 18504 5541 1 12 . 1 1 46 46 MET N N 46 116.171 116.171 116.404 -0.233 18504 5542 1 12 . 1 1 46 46 MET HA H 46 4.471 4.471 4.319 0.152 18504 5543 1 12 . 1 1 46 46 MET C C 46 178.964 178.964 178.021 0.943 18504 5544 1 12 . 1 1 46 46 MET CA C 46 55.467 55.467 59.197 -3.730 18504 5545 1 12 . 1 1 46 46 MET CB C 46 29.707 29.707 31.768 -2.061 18504 5546 1 12 . 1 1 46 46 MET H H 46 7.379 7.379 8.195 -0.816 18504 5547 1 12 . 1 1 47 47 LYS N N 47 121.054 121.054 119.973 1.081 18504 5548 1 12 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.924 -0.040 18504 5549 1 12 . 1 1 47 47 LYS C C 47 179.310 179.310 179.022 0.288 18504 5550 1 12 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.463 0.876 18504 5551 1 12 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.003 -0.253 18504 5552 1 12 . 1 1 47 47 LYS H H 47 8.450 8.450 8.440 0.010 18504 5553 1 12 . 1 1 48 48 ASN N N 48 117.137 117.137 118.824 -1.687 18504 5554 1 12 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.453 -0.572 18504 5555 1 12 . 1 1 48 48 ASN C C 48 177.733 177.733 177.386 0.347 18504 5556 1 12 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.899 -0.359 18504 5557 1 12 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.568 -0.235 18504 5558 1 12 . 1 1 48 48 ASN H H 48 7.896 7.896 8.314 -0.418 18504 5559 1 12 . 1 1 49 49 VAL N N 49 121.225 121.225 120.840 0.385 18504 5560 1 12 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.461 0.218 18504 5561 1 12 . 1 1 49 49 VAL C C 49 176.675 176.675 177.625 -0.950 18504 5562 1 12 . 1 1 49 49 VAL CA C 49 66.434 66.434 67.126 -0.692 18504 5563 1 12 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.099 0.970 18504 5564 1 12 . 1 1 49 49 VAL H H 49 7.869 7.869 7.822 0.047 18504 5565 1 12 . 1 1 50 50 ILE N N 50 120.523 120.523 118.383 2.140 18504 5566 1 12 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.406 0.844 18504 5567 1 12 . 1 1 50 50 ILE C C 50 179.831 179.831 178.068 1.763 18504 5568 1 12 . 1 1 50 50 ILE CA C 50 57.940 57.940 65.370 -7.429 18504 5569 1 12 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.295 2.817 18504 5570 1 12 . 1 1 50 50 ILE H H 50 8.093 8.093 7.484 0.609 18504 5571 1 12 . 1 1 51 51 ASN N N 51 117.280 117.280 117.976 -0.696 18504 5572 1 12 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.468 -0.449 18504 5573 1 12 . 1 1 51 51 ASN C C 51 178.496 178.496 177.530 0.966 18504 5574 1 12 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.386 0.226 18504 5575 1 12 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.671 -0.316 18504 5576 1 12 . 1 1 51 51 ASN H H 51 7.953 7.953 7.648 0.305 18504 5577 1 12 . 1 1 52 52 ASN N N 52 118.893 118.893 119.509 -0.616 18504 5578 1 12 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.454 -0.039 18504 5579 1 12 . 1 1 52 52 ASN C C 52 176.434 176.434 177.163 -0.729 18504 5580 1 12 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.634 0.136 18504 5581 1 12 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.593 -0.240 18504 5582 1 12 . 1 1 52 52 ASN H H 52 8.347 8.347 8.769 -0.422 18504 5583 1 12 . 1 1 53 53 ALA N N 53 122.291 122.291 121.113 1.178 18504 5584 1 12 . 1 1 53 53 ALA HA H 53 4.514 4.514 3.972 0.542 18504 5585 1 12 . 1 1 53 53 ALA C C 53 180.689 180.689 179.366 1.323 18504 5586 1 12 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.289 -0.388 18504 5587 1 12 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.336 -0.435 18504 5588 1 12 . 1 1 53 53 ALA H H 53 7.706 7.706 8.658 -0.952 18504 5589 1 12 . 1 1 54 54 LYS N N 54 119.091 119.091 118.433 0.658 18504 5590 1 12 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.054 -0.217 18504 5591 1 12 . 1 1 54 54 LYS C C 54 178.066 178.066 178.519 -0.453 18504 5592 1 12 . 1 1 54 54 LYS CA C 54 60.306 60.306 58.906 1.400 18504 5593 1 12 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.398 -0.310 18504 5594 1 12 . 1 1 54 54 LYS H H 54 8.375 8.375 7.467 0.908 18504 5595 1 12 . 1 1 55 55 LYS N N 55 119.370 119.370 119.662 -0.292 18504 5596 1 12 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.919 -0.046 18504 5597 1 12 . 1 1 55 55 LYS C C 55 179.819 179.819 179.454 0.365 18504 5598 1 12 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.251 1.035 18504 5599 1 12 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.047 -0.057 18504 5600 1 12 . 1 1 55 55 LYS H H 55 8.259 8.259 8.385 -0.126 18504 5601 1 12 . 1 1 56 56 ASN N N 56 119.303 119.303 118.038 1.265 18504 5602 1 12 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.281 0.128 18504 5603 1 12 . 1 1 56 56 ASN C C 56 178.899 178.899 177.368 1.531 18504 5604 1 12 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.672 0.068 18504 5605 1 12 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.169 -1.066 18504 5606 1 12 . 1 1 56 56 ASN H H 56 8.235 8.235 8.507 -0.272 18504 5607 1 12 . 1 1 57 57 LEU N N 57 123.252 123.252 121.819 1.433 18504 5608 1 12 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.272 0.410 18504 5609 1 12 . 1 1 57 57 LEU C C 57 178.541 178.541 179.148 -0.607 18504 5610 1 12 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.582 -0.383 18504 5611 1 12 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.848 0.778 18504 5612 1 12 . 1 1 57 57 LEU H H 57 8.210 8.210 7.709 0.501 18504 5613 1 12 . 1 1 58 58 GLU N N 58 118.795 118.795 117.021 1.774 18504 5614 1 12 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.966 0.037 18504 5615 1 12 . 1 1 58 58 GLU C C 58 177.333 177.333 178.917 -1.584 18504 5616 1 12 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.178 1.966 18504 5617 1 12 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.873 1.439 18504 5618 1 12 . 1 1 58 58 GLU H H 58 8.846 8.846 8.290 0.556 18504 5619 1 12 . 1 1 59 59 LYS N N 59 118.325 118.325 119.267 -0.942 18504 5620 1 12 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.914 0.561 18504 5621 1 12 . 1 1 59 59 LYS C C 59 178.428 178.428 179.074 -0.646 18504 5622 1 12 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.433 0.712 18504 5623 1 12 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.062 0.626 18504 5624 1 12 . 1 1 59 59 LYS H H 59 8.373 8.373 7.747 0.626 18504 5625 1 12 . 1 1 60 60 TYR N N 60 119.345 119.345 117.592 1.753 18504 5626 1 12 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.451 -0.124 18504 5627 1 12 . 1 1 60 60 TYR C C 60 178.899 178.899 178.202 0.697 18504 5628 1 12 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.207 2.187 18504 5629 1 12 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.404 -0.110 18504 5630 1 12 . 1 1 60 60 TYR H H 60 7.532 7.532 7.465 0.067 18504 5631 1 12 . 1 1 61 61 PHE N N 61 118.931 118.931 121.155 -2.224 18504 5632 1 12 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.370 -0.042 18504 5633 1 12 . 1 1 61 61 PHE C C 61 178.450 178.450 176.807 1.643 18504 5634 1 12 . 1 1 61 61 PHE CA C 61 62.394 62.394 62.108 0.286 18504 5635 1 12 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.446 -1.523 18504 5636 1 12 . 1 1 61 61 PHE H H 61 8.607 8.607 8.217 0.390 18504 5637 1 12 . 1 1 62 62 LYS N N 62 118.337 118.337 117.759 0.578 18504 5638 1 12 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.062 0.240 18504 5639 1 12 . 1 1 62 62 LYS C C 62 178.333 178.333 177.991 0.342 18504 5640 1 12 . 1 1 62 62 LYS CA C 62 59.311 59.311 59.142 0.169 18504 5641 1 12 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.444 0.405 18504 5642 1 12 . 1 1 62 62 LYS H H 62 8.615 8.615 8.503 0.112 18504 5643 1 12 . 1 1 63 63 GLU N N 63 116.360 116.360 117.960 -1.600 18504 5644 1 12 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.212 -0.286 18504 5645 1 12 . 1 1 63 63 GLU C C 63 177.317 177.317 177.931 -0.614 18504 5646 1 12 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.184 0.132 18504 5647 1 12 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.418 -1.062 18504 5648 1 12 . 1 1 63 63 GLU H H 63 7.547 7.547 7.826 -0.279 18504 5649 1 12 . 1 1 64 64 HIS N N 64 113.580 113.580 117.022 -3.442 18504 5650 1 12 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.620 -0.199 18504 5651 1 12 . 1 1 64 64 HIS C C 64 173.911 173.911 175.569 -1.658 18504 5652 1 12 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.785 2.297 18504 5653 1 12 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.379 1.456 18504 5654 1 12 . 1 1 64 64 HIS H H 64 7.013 7.013 8.201 -1.188 18504 5655 1 12 . 1 1 65 65 PHE N N 65 119.434 119.434 117.808 1.626 18504 5656 1 12 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.055 0.881 18504 5657 1 12 . 1 1 65 65 PHE C C 65 175.232 175.232 174.123 1.109 18504 5658 1 12 . 1 1 65 65 PHE CA C 65 57.223 57.223 61.349 -4.126 18504 5659 1 12 . 1 1 65 65 PHE CB C 65 40.362 40.362 38.502 1.860 18504 5660 1 12 . 1 1 65 65 PHE H H 65 8.340 8.340 8.178 0.162 18504 5661 1 12 . 1 1 66 66 LYS N N 66 123.217 123.217 120.844 2.373 18504 5662 1 12 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.683 0.605 18504 5663 1 12 . 1 1 66 66 LYS C C 66 177.685 177.685 174.705 2.980 18504 5664 1 12 . 1 1 66 66 LYS CA C 66 58.798 58.798 55.370 3.428 18504 5665 1 12 . 1 1 66 66 LYS CB C 66 32.473 32.473 33.371 -0.898 18504 5666 1 12 . 1 1 66 66 LYS H H 66 8.590 8.590 8.201 0.389 18504 5667 1 12 . 1 1 67 67 GLU N N 67 117.085 117.085 123.735 -6.650 18504 5668 1 12 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.528 -0.167 18504 5669 1 12 . 1 1 67 67 GLU C C 67 175.770 175.770 175.049 0.721 18504 5670 1 12 . 1 1 67 67 GLU CA C 67 56.364 56.364 54.825 1.539 18504 5671 1 12 . 1 1 67 67 GLU CB C 67 29.103 29.103 32.468 -3.365 18504 5672 1 12 . 1 1 67 67 GLU H H 67 8.969 8.969 8.272 0.697 18504 5673 1 12 . 1 1 68 68 PHE N N 68 121.127 121.127 119.509 1.618 18504 5674 1 12 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.786 -0.514 18504 5675 1 12 . 1 1 68 68 PHE C C 68 173.621 173.621 174.501 -0.880 18504 5676 1 12 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.203 1.893 18504 5677 1 12 . 1 1 68 68 PHE CB C 68 40.772 40.772 39.984 0.788 18504 5678 1 12 . 1 1 68 68 PHE H H 68 7.752 7.752 8.818 -1.066 18504 5679 1 12 . 1 1 69 69 ASP N N 69 125.720 125.720 122.917 2.803 18504 5680 1 12 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.682 -0.079 18504 5681 1 12 . 1 1 69 69 ASP C C 69 173.387 173.387 174.310 -0.923 18504 5682 1 12 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.246 0.635 18504 5683 1 12 . 1 1 69 69 ASP CB C 69 41.806 41.806 43.836 -2.030 18504 5684 1 12 . 1 1 69 69 ASP H H 69 7.767 7.767 8.536 -0.769 18504 5685 1 12 . 1 1 70 70 LYS N N 70 115.004 115.004 123.903 -8.899 18504 5686 1 12 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.669 -0.220 18504 5687 1 12 . 1 1 70 70 LYS C C 70 175.841 175.841 174.544 1.297 18504 5688 1 12 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.627 0.859 18504 5689 1 12 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.471 -0.691 18504 5690 1 12 . 1 1 70 70 LYS H H 70 7.305 7.305 8.171 -0.866 18504 5691 1 12 . 1 1 71 71 ILE N N 71 122.809 122.809 122.741 0.068 18504 5692 1 12 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.374 0.335 18504 5693 1 12 . 1 1 71 71 ILE C C 71 175.120 175.120 174.151 0.969 18504 5694 1 12 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.742 -1.490 18504 5695 1 12 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.813 -1.511 18504 5696 1 12 . 1 1 71 71 ILE H H 71 9.522 9.522 8.262 1.260 18504 5697 1 12 . 1 1 72 72 SER N N 72 121.741 121.741 120.359 1.382 18504 5698 1 12 . 1 1 72 72 SER HA H 72 4.920 4.920 5.027 -0.107 18504 5699 1 12 . 1 1 72 72 SER C C 72 172.157 172.157 172.484 -0.327 18504 5700 1 12 . 1 1 72 72 SER CA C 72 57.730 57.730 56.568 1.163 18504 5701 1 12 . 1 1 72 72 SER CB C 72 65.634 65.634 65.956 -0.322 18504 5702 1 12 . 1 1 72 72 SER H H 72 8.760 8.760 8.050 0.710 18504 5703 1 12 . 1 1 73 73 TYR N N 73 118.245 118.245 118.055 0.190 18504 5704 1 12 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.994 0.727 18504 5705 1 12 . 1 1 73 73 TYR C C 73 173.231 173.231 173.359 -0.128 18504 5706 1 12 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.047 -0.818 18504 5707 1 12 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.962 1.421 18504 5708 1 12 . 1 1 73 73 TYR H H 73 8.275 8.275 8.546 -0.271 18504 5709 1 12 . 1 1 74 74 ASP N N 74 120.379 120.379 119.899 0.480 18504 5710 1 12 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.468 0.587 18504 5711 1 12 . 1 1 74 74 ASP C C 74 174.827 174.827 173.663 1.164 18504 5712 1 12 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.132 0.469 18504 5713 1 12 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.663 0.978 18504 5714 1 12 . 1 1 74 74 ASP H H 74 9.332 9.332 8.342 0.990 18504 5715 1 12 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.895 -0.311 18504 5716 1 12 . 1 1 75 75 ILE C C 75 177.411 177.411 175.728 1.683 18504 5717 1 12 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.379 -1.170 18504 5718 1 12 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.514 0.254 18504 5719 1 12 . 1 1 75 75 ILE H H 75 7.501 7.501 8.277 -0.776 18504 5720 1 12 . 1 1 76 76 SER N N 76 117.836 117.836 119.299 -1.463 18504 5721 1 12 . 1 1 76 76 SER HA H 76 5.450 5.450 4.839 0.611 18504 5722 1 12 . 1 1 76 76 SER C C 76 173.767 173.767 172.524 1.243 18504 5723 1 12 . 1 1 76 76 SER CA C 76 57.758 57.758 57.667 0.090 18504 5724 1 12 . 1 1 76 76 SER CB C 76 64.462 64.462 66.011 -1.549 18504 5725 1 12 . 1 1 76 76 SER H H 76 9.050 9.050 8.959 0.091 18504 5726 1 12 . 1 1 77 77 THR N N 77 117.435 117.435 114.918 2.517 18504 5727 1 12 . 1 1 77 77 THR HA H 77 4.959 4.959 4.090 0.869 18504 5728 1 12 . 1 1 77 77 THR C C 77 172.636 172.636 173.454 -0.818 18504 5729 1 12 . 1 1 77 77 THR CA C 77 58.870 58.870 63.015 -4.145 18504 5730 1 12 . 1 1 77 77 THR CB C 77 69.935 69.935 67.384 2.551 18504 5731 1 12 . 1 1 77 77 THR H H 77 8.601 8.601 8.360 0.241 18504 5732 1 12 . 1 1 78 78 PRO C C 78 179.328 179.328 176.869 2.459 18504 5733 1 12 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.806 -1.323 18504 5734 1 12 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.885 0.277 18504 5735 1 12 . 1 1 79 79 ILE N N 79 120.707 120.707 116.287 4.420 18504 5736 1 12 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.272 0.349 18504 5737 1 12 . 1 1 79 79 ILE C C 79 177.212 177.212 176.034 1.178 18504 5738 1 12 . 1 1 79 79 ILE CA C 79 65.921 65.921 59.592 6.329 18504 5739 1 12 . 1 1 79 79 ILE CB C 79 37.468 37.468 39.785 -2.317 18504 5740 1 12 . 1 1 79 79 ILE H H 79 8.227 8.227 7.398 0.829 18504 5741 1 12 . 1 1 80 80 ASN N N 80 118.168 118.168 121.020 -2.852 18504 5742 1 12 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.637 -0.207 18504 5743 1 12 . 1 1 80 80 ASN C C 80 178.172 178.172 173.854 4.318 18504 5744 1 12 . 1 1 80 80 ASN CA C 80 56.763 56.763 53.880 2.883 18504 5745 1 12 . 1 1 80 80 ASN CB C 80 38.087 38.087 36.834 1.252 18504 5746 1 12 . 1 1 80 80 ASN H H 80 8.466 8.466 8.698 -0.232 18504 5747 1 12 . 1 1 81 81 PHE N N 81 129.059 129.059 122.834 6.225 18504 5748 1 12 . 1 1 81 81 PHE C C 81 174.016 174.016 174.360 -0.344 18504 5749 1 12 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.949 -2.130 18504 5750 1 12 . 1 1 81 81 PHE CB C 81 39.773 39.773 41.246 -1.473 18504 5751 1 12 . 1 1 81 81 PHE H H 81 9.152 9.152 8.980 0.172 18504 5752 1 12 . 1 1 82 82 LEU N N 82 124.640 124.640 128.286 -3.646 18504 5753 1 12 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.487 0.506 18504 5754 1 12 . 1 1 82 82 LEU C C 82 173.695 173.695 174.925 -1.230 18504 5755 1 12 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.647 0.103 18504 5756 1 12 . 1 1 82 82 LEU CB C 82 44.936 44.936 41.195 3.741 18504 5757 1 12 . 1 1 82 82 LEU H H 82 9.147 9.147 8.027 1.120 18504 5758 1 12 . 1 1 83 83 CYS N N 83 126.066 126.066 124.877 1.189 18504 5759 1 12 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.735 0.503 18504 5760 1 12 . 1 1 83 83 CYS C C 83 173.733 173.733 173.891 -0.158 18504 5761 1 12 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.159 -0.798 18504 5762 1 12 . 1 1 83 83 CYS CB C 83 28.374 28.374 28.986 -0.612 18504 5763 1 12 . 1 1 83 83 CYS H H 83 9.065 9.065 8.527 0.538 18504 5764 1 12 . 1 1 84 84 ILE N N 84 126.110 126.110 128.653 -2.543 18504 5765 1 12 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.486 -0.127 18504 5766 1 12 . 1 1 84 84 ILE C C 84 174.745 174.745 174.723 0.022 18504 5767 1 12 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.881 -0.362 18504 5768 1 12 . 1 1 84 84 ILE CB C 84 40.358 40.358 38.897 1.461 18504 5769 1 12 . 1 1 84 84 ILE H H 84 9.426 9.426 8.863 0.563 18504 5770 1 12 . 1 1 85 85 PHE N N 85 126.315 126.315 127.140 -0.825 18504 5771 1 12 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.947 0.072 18504 5772 1 12 . 1 1 85 85 PHE C C 85 175.358 175.358 174.600 0.758 18504 5773 1 12 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.156 1.575 18504 5774 1 12 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.438 -1.696 18504 5775 1 12 . 1 1 85 85 PHE H H 85 8.337 8.337 8.191 0.146 18504 5776 1 12 . 1 1 86 86 ILE N N 86 126.561 126.561 126.459 0.102 18504 5777 1 12 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.729 0.174 18504 5778 1 12 . 1 1 86 86 ILE C C 86 173.967 173.967 173.471 0.496 18504 5779 1 12 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.219 -1.833 18504 5780 1 12 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.398 -1.587 18504 5781 1 12 . 1 1 86 86 ILE H H 86 9.161 9.161 8.563 0.598 18504 5782 1 12 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.773 0.249 18504 5783 1 12 . 1 1 87 87 PRO C C 87 177.938 177.938 175.724 2.214 18504 5784 1 12 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.463 0.045 18504 5785 1 12 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.994 0.540 18504 5786 1 12 . 1 1 88 88 THR N N 88 113.282 113.282 117.882 -4.600 18504 5787 1 12 . 1 1 88 88 THR HA H 88 4.486 4.486 4.494 -0.008 18504 5788 1 12 . 1 1 88 88 THR C C 88 176.082 176.082 172.381 3.701 18504 5789 1 12 . 1 1 88 88 THR CA C 88 60.306 60.306 61.315 -1.009 18504 5790 1 12 . 1 1 88 88 THR CB C 88 66.727 66.727 71.107 -4.380 18504 5791 1 12 . 1 1 88 88 THR H H 88 8.003 8.003 8.141 -0.138 18504 5792 1 12 . 1 1 89 89 LEU N N 89 122.317 122.317 125.531 -3.214 18504 5793 1 12 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.526 -0.517 18504 5794 1 12 . 1 1 89 89 LEU C C 89 175.776 175.776 175.566 0.210 18504 5795 1 12 . 1 1 89 89 LEU CA C 89 53.969 53.969 52.458 1.511 18504 5796 1 12 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.267 -0.271 18504 5797 1 12 . 1 1 89 89 LEU H H 89 7.822 7.822 8.584 -0.762 18504 5798 1 12 . 1 1 90 90 PHE N N 90 114.801 114.801 124.080 -9.279 18504 5799 1 12 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.457 1.103 18504 5800 1 12 . 1 1 90 90 PHE C C 90 175.869 175.869 175.032 0.837 18504 5801 1 12 . 1 1 90 90 PHE CA C 90 55.096 55.096 57.951 -2.855 18504 5802 1 12 . 1 1 90 90 PHE CB C 90 40.107 40.107 37.744 2.363 18504 5803 1 12 . 1 1 90 90 PHE H H 90 7.110 7.110 8.239 -1.129 18504 5804 1 12 . 1 1 91 91 ASP N N 91 127.244 127.244 125.973 1.271 18504 5805 1 12 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.583 -0.026 18504 5806 1 12 . 1 1 91 91 ASP C C 91 175.684 175.684 176.674 -0.990 18504 5807 1 12 . 1 1 91 91 ASP CA C 91 52.969 52.969 55.147 -2.178 18504 5808 1 12 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.270 0.946 18504 5809 1 12 . 1 1 91 91 ASP H H 91 9.852 9.852 8.512 1.340 18504 5810 1 12 . 1 1 92 92 MET N N 92 113.730 113.730 119.566 -5.836 18504 5811 1 12 . 1 1 92 92 MET HA H 92 4.278 4.278 4.141 0.137 18504 5812 1 12 . 1 1 92 92 MET C C 92 177.571 177.571 178.288 -0.717 18504 5813 1 12 . 1 1 92 92 MET CA C 92 58.815 58.815 58.681 0.134 18504 5814 1 12 . 1 1 92 92 MET CB C 92 32.010 32.010 32.057 -0.047 18504 5815 1 12 . 1 1 92 92 MET H H 92 8.574 8.574 7.655 0.919 18504 5816 1 12 . 1 1 93 93 ASN N N 93 115.175 115.175 118.449 -3.274 18504 5817 1 12 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.572 0.177 18504 5818 1 12 . 1 1 93 93 ASN C C 93 176.300 176.300 175.803 0.497 18504 5819 1 12 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.976 0.217 18504 5820 1 12 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.516 0.910 18504 5821 1 12 . 1 1 93 93 ASN H H 93 8.576 8.576 8.441 0.135 18504 5822 1 12 . 1 1 94 94 ASN N N 94 119.005 119.005 113.876 5.129 18504 5823 1 12 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.449 0.742 18504 5824 1 12 . 1 1 94 94 ASN C C 94 177.230 177.230 174.714 2.516 18504 5825 1 12 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.618 -1.987 18504 5826 1 12 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.878 0.215 18504 5827 1 12 . 1 1 94 94 ASN H H 94 8.049 8.049 8.331 -0.282 18504 5828 1 12 . 1 1 95 95 MET N N 95 117.771 117.771 115.907 1.864 18504 5829 1 12 . 1 1 95 95 MET HA H 95 4.048 4.048 4.687 -0.639 18504 5830 1 12 . 1 1 95 95 MET C C 95 178.005 178.005 175.851 2.154 18504 5831 1 12 . 1 1 95 95 MET CA C 95 58.275 58.275 56.390 1.885 18504 5832 1 12 . 1 1 95 95 MET CB C 95 32.327 32.327 34.192 -1.865 18504 5833 1 12 . 1 1 95 95 MET H H 95 7.489 7.489 8.020 -0.531 18504 5834 1 12 . 1 1 96 96 ASP N N 96 115.629 115.629 116.967 -1.338 18504 5835 1 12 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.792 -0.189 18504 5836 1 12 . 1 1 96 96 ASP C C 96 175.593 175.593 177.130 -1.537 18504 5837 1 12 . 1 1 96 96 ASP CA C 96 54.940 54.940 55.053 -0.113 18504 5838 1 12 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.626 -2.181 18504 5839 1 12 . 1 1 96 96 ASP H H 96 7.777 7.777 8.220 -0.443 18504 5840 1 12 . 1 1 97 97 LEU N N 97 116.343 116.343 117.554 -1.211 18504 5841 1 12 . 1 1 97 97 LEU HA H 97 4.617 4.617 3.914 0.703 18504 5842 1 12 . 1 1 97 97 LEU C C 97 174.835 174.835 178.100 -3.265 18504 5843 1 12 . 1 1 97 97 LEU CA C 97 54.433 54.433 57.340 -2.906 18504 5844 1 12 . 1 1 97 97 LEU CB C 97 39.082 39.082 39.895 -0.813 18504 5845 1 12 . 1 1 97 97 LEU H H 97 8.027 8.027 8.257 -0.230 18504 5846 1 12 . 1 1 98 98 LEU N N 98 118.769 118.769 119.278 -0.509 18504 5847 1 12 . 1 1 98 98 LEU HA H 98 3.364 3.364 3.989 -0.625 18504 5848 1 12 . 1 1 98 98 LEU C C 98 177.586 177.586 178.376 -0.790 18504 5849 1 12 . 1 1 98 98 LEU CA C 98 57.219 57.219 57.820 -0.601 18504 5850 1 12 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.539 -2.439 18504 5851 1 12 . 1 1 98 98 LEU H H 98 7.798 7.798 8.116 -0.318 18504 5852 1 12 . 1 1 99 99 LYS N N 99 117.567 117.567 118.667 -1.100 18504 5853 1 12 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.879 -0.463 18504 5854 1 12 . 1 1 99 99 LYS C C 99 177.639 177.639 178.893 -1.254 18504 5855 1 12 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.299 1.534 18504 5856 1 12 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.776 0.268 18504 5857 1 12 . 1 1 99 99 LYS H H 99 7.603 7.603 8.385 -0.782 18504 5858 1 12 . 1 1 100 100 GLN N N 100 114.564 114.564 118.271 -3.707 18504 5859 1 12 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.120 -0.308 18504 5860 1 12 . 1 1 100 100 GLN C C 100 178.165 178.165 177.930 0.235 18504 5861 1 12 . 1 1 100 100 GLN CA C 100 58.784 58.784 59.087 -0.303 18504 5862 1 12 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.817 -1.334 18504 5863 1 12 . 1 1 100 100 GLN H H 100 7.625 7.625 8.029 -0.404 18504 5864 1 12 . 1 1 101 101 ALA N N 101 121.499 121.499 123.069 -1.570 18504 5865 1 12 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.057 -0.769 18504 5866 1 12 . 1 1 101 101 ALA C C 101 178.865 178.865 179.751 -0.886 18504 5867 1 12 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.905 0.059 18504 5868 1 12 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.290 -0.429 18504 5869 1 12 . 1 1 101 101 ALA H H 101 7.355 7.355 7.860 -0.505 18504 5870 1 12 . 1 1 102 102 LEU N N 102 115.061 115.061 118.897 -3.836 18504 5871 1 12 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.044 0.722 18504 5872 1 12 . 1 1 102 102 LEU C C 102 179.324 179.324 178.761 0.563 18504 5873 1 12 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.710 -0.214 18504 5874 1 12 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.123 -0.395 18504 5875 1 12 . 1 1 102 102 LEU H H 102 7.941 7.941 8.774 -0.834 18504 5876 1 12 . 1 1 103 103 LEU N N 103 115.920 115.920 117.749 -1.829 18504 5877 1 12 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.082 0.755 18504 5878 1 12 . 1 1 103 103 LEU C C 103 178.500 178.500 178.270 0.230 18504 5879 1 12 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.498 -2.609 18504 5880 1 12 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.040 1.726 18504 5881 1 12 . 1 1 103 103 LEU H H 103 8.266 8.266 7.389 0.877 18504 5882 1 12 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.025 0.610 18504 5883 1 12 . 1 1 105 105 LEU C C 105 175.743 175.743 178.493 -2.750 18504 5884 1 12 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.511 -0.414 18504 5885 1 12 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.888 -2.110 18504 5886 1 12 . 1 1 106 106 HIS N N 106 122.167 122.167 118.520 3.647 18504 5887 1 12 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.256 0.010 18504 5888 1 12 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.210 -2.096 18504 5889 1 12 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.897 0.228 18504 5890 1 12 . 1 1 106 106 HIS H H 106 8.252 8.252 8.075 0.177 18504 5891 1 12 . 1 1 107 107 ASN C C 107 179.694 179.694 176.847 2.847 18504 5892 1 12 . 1 1 107 107 ASN CA C 107 58.331 58.331 55.779 2.552 18504 5893 1 12 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.228 3.769 18504 5894 1 12 . 1 1 108 108 ASP N N 108 122.462 122.462 118.253 4.209 18504 5895 1 12 . 1 1 108 108 ASP C C 108 179.328 179.328 177.335 1.993 18504 5896 1 12 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.492 1.197 18504 5897 1 12 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.608 0.432 18504 5898 1 12 . 1 1 108 108 ASP H H 108 8.174 8.174 7.739 0.435 18504 5899 1 12 . 1 1 109 109 LEU N N 109 115.664 115.664 118.765 -3.101 18504 5900 1 12 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.337 0.515 18504 5901 1 12 . 1 1 109 109 LEU C C 109 178.510 178.510 178.020 0.490 18504 5902 1 12 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.035 -0.881 18504 5903 1 12 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.995 1.153 18504 5904 1 12 . 1 1 109 109 LEU H H 109 8.380 8.380 7.576 0.804 18504 5905 1 12 . 1 1 110 110 HIS N N 110 118.905 118.905 117.727 1.178 18504 5906 1 12 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.269 -0.359 18504 5907 1 12 . 1 1 110 110 HIS C C 110 176.152 176.152 176.776 -0.624 18504 5908 1 12 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.642 3.370 18504 5909 1 12 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.922 -1.810 18504 5910 1 12 . 1 1 110 110 HIS H H 110 8.518 8.518 8.437 0.081 18504 5911 1 12 . 1 1 111 111 GLU N N 111 117.923 117.923 118.772 -0.849 18504 5912 1 12 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.090 -0.359 18504 5913 1 12 . 1 1 111 111 GLU C C 111 176.596 176.596 177.158 -0.562 18504 5914 1 12 . 1 1 111 111 GLU CA C 111 58.394 58.394 59.295 -0.901 18504 5915 1 12 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.906 -0.862 18504 5916 1 12 . 1 1 111 111 GLU H H 111 8.018 8.018 8.550 -0.532 18504 5917 1 12 . 1 1 112 112 TYR N N 112 114.607 114.607 115.606 -0.999 18504 5918 1 12 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.409 0.028 18504 5919 1 12 . 1 1 112 112 TYR C C 112 174.448 174.448 175.124 -0.676 18504 5920 1 12 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.785 -1.013 18504 5921 1 12 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.281 -0.293 18504 5922 1 12 . 1 1 112 112 TYR H H 112 7.905 7.905 7.873 0.032 18504 5923 1 12 . 1 1 113 113 VAL N N 113 118.003 118.003 121.288 -3.285 18504 5924 1 12 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.843 0.263 18504 5925 1 12 . 1 1 113 113 VAL C C 113 175.134 175.134 175.235 -0.101 18504 5926 1 12 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.499 -0.812 18504 5927 1 12 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.525 2.703 18504 5928 1 12 . 1 1 113 113 VAL H H 113 6.976 6.976 8.242 -1.266 18504 5929 1 13 . 1 1 27 27 SER HA H 27 4.339 4.339 4.723 -0.384 18504 5930 1 13 . 1 1 27 27 SER C C 27 175.743 175.743 173.407 2.336 18504 5931 1 13 . 1 1 27 27 SER CA C 27 60.497 60.497 58.274 2.223 18504 5932 1 13 . 1 1 27 27 SER CB C 27 63.659 63.659 63.650 0.009 18504 5933 1 13 . 1 1 28 28 LYS N N 28 118.099 118.099 123.517 -5.418 18504 5934 1 13 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.616 0.602 18504 5935 1 13 . 1 1 28 28 LYS C C 28 175.699 175.699 175.963 -0.264 18504 5936 1 13 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.373 0.172 18504 5937 1 13 . 1 1 28 28 LYS CB C 28 35.913 35.913 32.251 3.662 18504 5938 1 13 . 1 1 28 28 LYS H H 28 7.785 7.785 8.056 -0.271 18504 5939 1 13 . 1 1 29 29 GLN N N 29 122.481 122.481 125.710 -3.229 18504 5940 1 13 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.595 0.143 18504 5941 1 13 . 1 1 29 29 GLN C C 29 174.277 174.277 174.193 0.084 18504 5942 1 13 . 1 1 29 29 GLN CA C 29 55.525 55.525 55.110 0.415 18504 5943 1 13 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.274 0.596 18504 5944 1 13 . 1 1 29 29 GLN H H 29 9.283 9.283 8.409 0.874 18504 5945 1 13 . 1 1 30 30 GLU N N 30 122.881 122.881 123.721 -0.840 18504 5946 1 13 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.970 -0.694 18504 5947 1 13 . 1 1 30 30 GLU C C 30 173.313 173.313 174.547 -1.234 18504 5948 1 13 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.335 1.619 18504 5949 1 13 . 1 1 30 30 GLU CB C 30 31.054 31.054 32.396 -1.342 18504 5950 1 13 . 1 1 30 30 GLU H H 30 9.188 9.188 8.634 0.554 18504 5951 1 13 . 1 1 31 31 LEU N N 31 130.328 130.328 124.058 6.270 18504 5952 1 13 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.663 -0.370 18504 5953 1 13 . 1 1 31 31 LEU C C 31 171.909 171.909 176.409 -4.500 18504 5954 1 13 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.949 -0.668 18504 5955 1 13 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.127 -1.677 18504 5956 1 13 . 1 1 31 31 LEU H H 31 9.016 9.016 8.003 1.013 18504 5957 1 13 . 1 1 32 32 ILE N N 32 120.632 120.632 121.745 -1.113 18504 5958 1 13 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.527 1.001 18504 5959 1 13 . 1 1 32 32 ILE C C 32 175.735 175.735 175.038 0.697 18504 5960 1 13 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.922 -1.698 18504 5961 1 13 . 1 1 32 32 ILE CB C 32 36.625 36.625 38.057 -1.432 18504 5962 1 13 . 1 1 32 32 ILE H H 32 8.738 8.738 8.332 0.406 18504 5963 1 13 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.699 -0.702 18504 5964 1 13 . 1 1 33 33 LEU C C 33 180.030 180.030 175.305 4.725 18504 5965 1 13 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.220 5.113 18504 5966 1 13 . 1 1 33 33 LEU CB C 33 41.433 41.433 46.127 -4.694 18504 5967 1 13 . 1 1 34 34 VAL N N 34 124.025 124.025 118.097 5.928 18504 5968 1 13 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.006 -0.389 18504 5969 1 13 . 1 1 34 34 VAL C C 34 178.222 178.222 174.647 3.575 18504 5970 1 13 . 1 1 34 34 VAL CA C 34 66.122 66.122 60.908 5.214 18504 5971 1 13 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.403 4.539 18504 5972 1 13 . 1 1 34 34 VAL H H 34 7.751 7.751 8.164 -0.413 18504 5973 1 13 . 1 1 35 35 LEU N N 35 120.009 120.009 128.618 -8.609 18504 5974 1 13 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.223 0.053 18504 5975 1 13 . 1 1 35 35 LEU C C 35 175.855 175.855 176.050 -0.195 18504 5976 1 13 . 1 1 35 35 LEU CA C 35 57.375 57.375 55.716 1.659 18504 5977 1 13 . 1 1 35 35 LEU CB C 35 43.089 43.089 42.614 0.475 18504 5978 1 13 . 1 1 35 35 LEU H H 35 7.532 7.532 8.438 -0.906 18504 5979 1 13 . 1 1 36 36 LYS N N 36 115.805 115.805 123.498 -7.693 18504 5980 1 13 . 1 1 36 36 LYS C C 36 178.903 178.903 175.277 3.626 18504 5981 1 13 . 1 1 36 36 LYS CA C 36 58.347 58.347 54.653 3.694 18504 5982 1 13 . 1 1 36 36 LYS CB C 36 32.903 32.903 36.068 -3.165 18504 5983 1 13 . 1 1 36 36 LYS H H 36 7.501 7.501 8.474 -0.973 18504 5984 1 13 . 1 1 37 37 GLY N N 37 110.626 110.626 107.788 2.838 18504 5985 1 13 . 1 1 37 37 GLY C C 37 174.865 174.865 173.274 1.591 18504 5986 1 13 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.252 2.214 18504 5987 1 13 . 1 1 37 37 GLY H H 37 8.811 8.811 8.406 0.405 18504 5988 1 13 . 1 1 38 38 GLU N N 38 116.098 116.098 123.992 -7.894 18504 5989 1 13 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.593 -0.291 18504 5990 1 13 . 1 1 38 38 GLU C C 38 176.681 176.681 176.852 -0.171 18504 5991 1 13 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.399 0.785 18504 5992 1 13 . 1 1 38 38 GLU CB C 38 28.829 28.829 32.053 -3.224 18504 5993 1 13 . 1 1 38 38 GLU H H 38 8.763 8.763 8.675 0.088 18504 5994 1 13 . 1 1 39 39 LEU N N 39 119.439 119.439 124.611 -5.172 18504 5995 1 13 . 1 1 39 39 LEU HA H 39 4.266 4.266 3.825 0.441 18504 5996 1 13 . 1 1 39 39 LEU C C 39 176.016 176.016 175.810 0.206 18504 5997 1 13 . 1 1 39 39 LEU CA C 39 54.725 54.725 56.879 -2.154 18504 5998 1 13 . 1 1 39 39 LEU CB C 39 43.602 43.602 41.818 1.784 18504 5999 1 13 . 1 1 39 39 LEU H H 39 7.167 7.167 8.631 -1.464 18504 6000 1 13 . 1 1 40 40 ASP N N 40 120.105 120.105 115.931 4.174 18504 6001 1 13 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.754 -0.026 18504 6002 1 13 . 1 1 40 40 ASP C C 40 178.198 178.198 174.598 3.600 18504 6003 1 13 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.258 -1.069 18504 6004 1 13 . 1 1 40 40 ASP CB C 40 40.557 40.557 43.432 -2.875 18504 6005 1 13 . 1 1 40 40 ASP H H 40 8.596 8.596 8.104 0.492 18504 6006 1 13 . 1 1 41 41 LEU N N 41 125.023 125.023 122.232 2.791 18504 6007 1 13 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.313 -0.560 18504 6008 1 13 . 1 1 41 41 LEU C C 41 175.113 175.113 176.906 -1.793 18504 6009 1 13 . 1 1 41 41 LEU CA C 41 56.667 56.667 56.321 0.346 18504 6010 1 13 . 1 1 41 41 LEU CB C 41 39.849 39.849 40.744 -0.895 18504 6011 1 13 . 1 1 41 41 LEU H H 41 9.029 9.029 8.465 0.564 18504 6012 1 13 . 1 1 42 42 HIS N N 42 113.184 113.184 122.274 -9.090 18504 6013 1 13 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.636 -0.112 18504 6014 1 13 . 1 1 42 42 HIS C C 42 175.855 175.855 175.011 0.844 18504 6015 1 13 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.245 0.672 18504 6016 1 13 . 1 1 42 42 HIS CB C 42 30.137 30.137 31.281 -1.144 18504 6017 1 13 . 1 1 42 42 HIS H H 42 8.065 8.065 8.563 -0.498 18504 6018 1 13 . 1 1 43 43 SER N N 43 116.013 116.013 114.903 1.110 18504 6019 1 13 . 1 1 43 43 SER HA H 43 4.524 4.524 4.336 0.188 18504 6020 1 13 . 1 1 43 43 SER C C 43 174.426 174.426 174.843 -0.417 18504 6021 1 13 . 1 1 43 43 SER CA C 43 58.206 58.206 58.418 -0.212 18504 6022 1 13 . 1 1 43 43 SER CB C 43 65.517 65.517 62.303 3.214 18504 6023 1 13 . 1 1 43 43 SER H H 43 7.511 7.511 8.678 -1.167 18504 6024 1 13 . 1 1 44 44 LYS N N 44 123.332 123.332 120.014 3.318 18504 6025 1 13 . 1 1 44 44 LYS C C 44 177.791 177.791 177.484 0.307 18504 6026 1 13 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.287 1.169 18504 6027 1 13 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.339 -2.167 18504 6028 1 13 . 1 1 44 44 LYS H H 44 8.846 8.846 8.532 0.314 18504 6029 1 13 . 1 1 45 45 ASN N N 45 118.501 118.501 118.211 0.290 18504 6030 1 13 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.348 0.121 18504 6031 1 13 . 1 1 45 45 ASN C C 45 177.817 177.817 177.264 0.553 18504 6032 1 13 . 1 1 45 45 ASN CA C 45 56.928 56.928 55.608 1.319 18504 6033 1 13 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.269 1.135 18504 6034 1 13 . 1 1 45 45 ASN H H 45 8.545 8.545 8.388 0.157 18504 6035 1 13 . 1 1 46 46 MET N N 46 116.171 116.171 118.034 -1.863 18504 6036 1 13 . 1 1 46 46 MET HA H 46 4.471 4.471 4.484 -0.013 18504 6037 1 13 . 1 1 46 46 MET C C 46 178.964 178.964 178.420 0.544 18504 6038 1 13 . 1 1 46 46 MET CA C 46 55.467 55.467 58.710 -3.243 18504 6039 1 13 . 1 1 46 46 MET CB C 46 29.707 29.707 32.151 -2.444 18504 6040 1 13 . 1 1 46 46 MET H H 46 7.379 7.379 7.755 -0.376 18504 6041 1 13 . 1 1 47 47 LYS N N 47 121.054 121.054 118.902 2.152 18504 6042 1 13 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.044 -0.160 18504 6043 1 13 . 1 1 47 47 LYS C C 47 179.310 179.310 178.671 0.639 18504 6044 1 13 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.536 0.803 18504 6045 1 13 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.237 -0.487 18504 6046 1 13 . 1 1 47 47 LYS H H 47 8.450 8.450 7.593 0.857 18504 6047 1 13 . 1 1 48 48 ASN N N 48 117.137 117.137 118.720 -1.583 18504 6048 1 13 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.539 -0.658 18504 6049 1 13 . 1 1 48 48 ASN C C 48 177.733 177.733 177.609 0.124 18504 6050 1 13 . 1 1 48 48 ASN CA C 48 56.540 56.540 55.989 0.551 18504 6051 1 13 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.620 -0.286 18504 6052 1 13 . 1 1 48 48 ASN H H 48 7.896 7.896 8.123 -0.227 18504 6053 1 13 . 1 1 49 49 VAL N N 49 121.225 121.225 120.094 1.131 18504 6054 1 13 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.614 0.065 18504 6055 1 13 . 1 1 49 49 VAL C C 49 176.675 176.675 177.292 -0.617 18504 6056 1 13 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.039 0.395 18504 6057 1 13 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.564 0.505 18504 6058 1 13 . 1 1 49 49 VAL H H 49 7.869 7.869 7.543 0.326 18504 6059 1 13 . 1 1 50 50 ILE N N 50 120.523 120.523 119.741 0.782 18504 6060 1 13 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.396 0.854 18504 6061 1 13 . 1 1 50 50 ILE C C 50 179.831 179.831 177.490 2.341 18504 6062 1 13 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.823 -6.883 18504 6063 1 13 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.869 2.243 18504 6064 1 13 . 1 1 50 50 ILE H H 50 8.093 8.093 7.606 0.487 18504 6065 1 13 . 1 1 51 51 ASN N N 51 117.280 117.280 117.929 -0.649 18504 6066 1 13 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.439 -0.420 18504 6067 1 13 . 1 1 51 51 ASN C C 51 178.496 178.496 177.480 1.016 18504 6068 1 13 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.302 0.310 18504 6069 1 13 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.112 0.243 18504 6070 1 13 . 1 1 51 51 ASN H H 51 7.953 7.953 7.733 0.220 18504 6071 1 13 . 1 1 52 52 ASN N N 52 118.893 118.893 119.134 -0.241 18504 6072 1 13 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.427 -0.012 18504 6073 1 13 . 1 1 52 52 ASN C C 52 176.434 176.434 177.101 -0.667 18504 6074 1 13 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.477 0.293 18504 6075 1 13 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.621 -0.268 18504 6076 1 13 . 1 1 52 52 ASN H H 52 8.347 8.347 7.902 0.445 18504 6077 1 13 . 1 1 53 53 ALA N N 53 122.291 122.291 121.760 0.531 18504 6078 1 13 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.022 0.492 18504 6079 1 13 . 1 1 53 53 ALA C C 53 180.689 180.689 179.560 1.129 18504 6080 1 13 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.040 -0.139 18504 6081 1 13 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.264 -0.363 18504 6082 1 13 . 1 1 53 53 ALA H H 53 7.706 7.706 8.710 -1.004 18504 6083 1 13 . 1 1 54 54 LYS N N 54 119.091 119.091 118.753 0.338 18504 6084 1 13 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.103 -0.266 18504 6085 1 13 . 1 1 54 54 LYS C C 54 178.066 178.066 178.425 -0.359 18504 6086 1 13 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.352 0.953 18504 6087 1 13 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.445 -0.357 18504 6088 1 13 . 1 1 54 54 LYS H H 54 8.375 8.375 7.495 0.880 18504 6089 1 13 . 1 1 55 55 LYS N N 55 119.370 119.370 119.276 0.094 18504 6090 1 13 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.884 -0.011 18504 6091 1 13 . 1 1 55 55 LYS C C 55 179.819 179.819 179.064 0.755 18504 6092 1 13 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.499 0.787 18504 6093 1 13 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.359 -0.369 18504 6094 1 13 . 1 1 55 55 LYS H H 55 8.259 8.259 8.038 0.221 18504 6095 1 13 . 1 1 56 56 ASN N N 56 119.303 119.303 117.637 1.666 18504 6096 1 13 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.213 0.196 18504 6097 1 13 . 1 1 56 56 ASN C C 56 178.899 178.899 177.191 1.708 18504 6098 1 13 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.480 0.260 18504 6099 1 13 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.096 -0.993 18504 6100 1 13 . 1 1 56 56 ASN H H 56 8.235 8.235 8.275 -0.040 18504 6101 1 13 . 1 1 57 57 LEU N N 57 123.252 123.252 120.872 2.380 18504 6102 1 13 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.043 0.639 18504 6103 1 13 . 1 1 57 57 LEU C C 57 178.541 178.541 178.423 0.118 18504 6104 1 13 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.582 -0.383 18504 6105 1 13 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.992 0.634 18504 6106 1 13 . 1 1 57 57 LEU H H 57 8.210 8.210 7.629 0.581 18504 6107 1 13 . 1 1 58 58 GLU N N 58 118.795 118.795 117.104 1.691 18504 6108 1 13 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.922 0.081 18504 6109 1 13 . 1 1 58 58 GLU C C 58 177.333 177.333 178.794 -1.461 18504 6110 1 13 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.105 2.040 18504 6111 1 13 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.729 1.583 18504 6112 1 13 . 1 1 58 58 GLU H H 58 8.846 8.846 7.975 0.871 18504 6113 1 13 . 1 1 59 59 LYS N N 59 118.325 118.325 119.673 -1.348 18504 6114 1 13 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.859 0.616 18504 6115 1 13 . 1 1 59 59 LYS C C 59 178.428 178.428 178.669 -0.241 18504 6116 1 13 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.072 1.073 18504 6117 1 13 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.102 0.586 18504 6118 1 13 . 1 1 59 59 LYS H H 59 8.373 8.373 7.194 1.179 18504 6119 1 13 . 1 1 60 60 TYR N N 60 119.345 119.345 117.709 1.636 18504 6120 1 13 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.366 -0.039 18504 6121 1 13 . 1 1 60 60 TYR C C 60 178.899 178.899 178.493 0.406 18504 6122 1 13 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.312 3.082 18504 6123 1 13 . 1 1 60 60 TYR CB C 60 38.294 38.294 37.784 0.510 18504 6124 1 13 . 1 1 60 60 TYR H H 60 7.532 7.532 7.123 0.409 18504 6125 1 13 . 1 1 61 61 PHE N N 61 118.931 118.931 120.119 -1.188 18504 6126 1 13 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.525 -0.197 18504 6127 1 13 . 1 1 61 61 PHE C C 61 178.450 178.450 177.612 0.838 18504 6128 1 13 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.356 1.038 18504 6129 1 13 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.237 -1.314 18504 6130 1 13 . 1 1 61 61 PHE H H 61 8.607 8.607 7.702 0.905 18504 6131 1 13 . 1 1 62 62 LYS N N 62 118.337 118.337 118.993 -0.656 18504 6132 1 13 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.063 0.239 18504 6133 1 13 . 1 1 62 62 LYS C C 62 178.333 178.333 177.524 0.809 18504 6134 1 13 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.932 0.379 18504 6135 1 13 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.609 0.240 18504 6136 1 13 . 1 1 62 62 LYS H H 62 8.615 8.615 8.348 0.267 18504 6137 1 13 . 1 1 63 63 GLU N N 63 116.360 116.360 116.866 -0.506 18504 6138 1 13 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.189 -0.263 18504 6139 1 13 . 1 1 63 63 GLU C C 63 177.317 177.317 177.743 -0.426 18504 6140 1 13 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.813 0.503 18504 6141 1 13 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.842 -1.486 18504 6142 1 13 . 1 1 63 63 GLU H H 63 7.547 7.547 7.811 -0.264 18504 6143 1 13 . 1 1 64 64 HIS N N 64 113.580 113.580 117.455 -3.875 18504 6144 1 13 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.662 -0.241 18504 6145 1 13 . 1 1 64 64 HIS C C 64 173.911 173.911 175.025 -1.114 18504 6146 1 13 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.717 2.365 18504 6147 1 13 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.796 1.039 18504 6148 1 13 . 1 1 64 64 HIS H H 64 7.013 7.013 8.072 -1.059 18504 6149 1 13 . 1 1 65 65 PHE N N 65 119.434 119.434 118.594 0.840 18504 6150 1 13 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.353 0.583 18504 6151 1 13 . 1 1 65 65 PHE C C 65 175.232 175.232 175.079 0.153 18504 6152 1 13 . 1 1 65 65 PHE CA C 65 57.223 57.223 58.603 -1.380 18504 6153 1 13 . 1 1 65 65 PHE CB C 65 40.362 40.362 39.063 1.299 18504 6154 1 13 . 1 1 65 65 PHE H H 65 8.340 8.340 7.575 0.765 18504 6155 1 13 . 1 1 66 66 LYS N N 66 123.217 123.217 122.646 0.571 18504 6156 1 13 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.650 0.638 18504 6157 1 13 . 1 1 66 66 LYS C C 66 177.685 177.685 175.862 1.823 18504 6158 1 13 . 1 1 66 66 LYS CA C 66 58.798 58.798 57.668 1.130 18504 6159 1 13 . 1 1 66 66 LYS CB C 66 32.473 32.473 31.829 0.644 18504 6160 1 13 . 1 1 66 66 LYS H H 66 8.590 8.590 8.469 0.121 18504 6161 1 13 . 1 1 67 67 GLU N N 67 117.085 117.085 124.359 -7.274 18504 6162 1 13 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.181 0.180 18504 6163 1 13 . 1 1 67 67 GLU C C 67 175.770 175.770 175.722 0.048 18504 6164 1 13 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.481 -0.117 18504 6165 1 13 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.736 -1.633 18504 6166 1 13 . 1 1 67 67 GLU H H 67 8.969 8.969 8.299 0.670 18504 6167 1 13 . 1 1 68 68 PHE N N 68 121.127 121.127 120.625 0.502 18504 6168 1 13 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.261 0.011 18504 6169 1 13 . 1 1 68 68 PHE C C 68 173.621 173.621 175.157 -1.536 18504 6170 1 13 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.912 1.184 18504 6171 1 13 . 1 1 68 68 PHE CB C 68 40.772 40.772 38.554 2.217 18504 6172 1 13 . 1 1 68 68 PHE H H 68 7.752 7.752 7.815 -0.063 18504 6173 1 13 . 1 1 69 69 ASP N N 69 125.720 125.720 121.860 3.860 18504 6174 1 13 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.463 0.140 18504 6175 1 13 . 1 1 69 69 ASP C C 69 173.387 173.387 175.334 -1.947 18504 6176 1 13 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.312 0.569 18504 6177 1 13 . 1 1 69 69 ASP CB C 69 41.806 41.806 42.291 -0.485 18504 6178 1 13 . 1 1 69 69 ASP H H 69 7.767 7.767 8.317 -0.550 18504 6179 1 13 . 1 1 70 70 LYS N N 70 115.004 115.004 119.477 -4.473 18504 6180 1 13 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.648 -0.199 18504 6181 1 13 . 1 1 70 70 LYS C C 70 175.841 175.841 175.043 0.798 18504 6182 1 13 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.983 0.503 18504 6183 1 13 . 1 1 70 70 LYS CB C 70 34.781 34.781 34.914 -0.133 18504 6184 1 13 . 1 1 70 70 LYS H H 70 7.305 7.305 8.027 -0.722 18504 6185 1 13 . 1 1 71 71 ILE N N 71 122.809 122.809 119.926 2.883 18504 6186 1 13 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.386 0.323 18504 6187 1 13 . 1 1 71 71 ILE C C 71 175.120 175.120 174.886 0.234 18504 6188 1 13 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.407 -1.155 18504 6189 1 13 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.388 -1.085 18504 6190 1 13 . 1 1 71 71 ILE H H 71 9.522 9.522 8.442 1.080 18504 6191 1 13 . 1 1 72 72 SER N N 72 121.741 121.741 119.061 2.680 18504 6192 1 13 . 1 1 72 72 SER HA H 72 4.920 4.920 5.063 -0.143 18504 6193 1 13 . 1 1 72 72 SER C C 72 172.157 172.157 172.728 -0.571 18504 6194 1 13 . 1 1 72 72 SER CA C 72 57.730 57.730 56.824 0.906 18504 6195 1 13 . 1 1 72 72 SER CB C 72 65.634 65.634 65.879 -0.244 18504 6196 1 13 . 1 1 72 72 SER H H 72 8.760 8.760 8.426 0.334 18504 6197 1 13 . 1 1 73 73 TYR N N 73 118.245 118.245 117.145 1.100 18504 6198 1 13 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.998 0.723 18504 6199 1 13 . 1 1 73 73 TYR C C 73 173.231 173.231 173.326 -0.095 18504 6200 1 13 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.021 -0.791 18504 6201 1 13 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.636 1.747 18504 6202 1 13 . 1 1 73 73 TYR H H 73 8.275 8.275 8.448 -0.173 18504 6203 1 13 . 1 1 74 74 ASP N N 74 120.379 120.379 120.282 0.097 18504 6204 1 13 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.676 0.379 18504 6205 1 13 . 1 1 74 74 ASP C C 74 174.827 174.827 173.704 1.123 18504 6206 1 13 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.425 0.176 18504 6207 1 13 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.763 0.877 18504 6208 1 13 . 1 1 74 74 ASP H H 74 9.332 9.332 8.464 0.868 18504 6209 1 13 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.399 0.185 18504 6210 1 13 . 1 1 75 75 ILE C C 75 177.411 177.411 174.561 2.850 18504 6211 1 13 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.093 -0.884 18504 6212 1 13 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.563 0.205 18504 6213 1 13 . 1 1 75 75 ILE H H 75 7.501 7.501 8.184 -0.683 18504 6214 1 13 . 1 1 76 76 SER N N 76 117.836 117.836 125.945 -8.109 18504 6215 1 13 . 1 1 76 76 SER HA H 76 5.450 5.450 4.927 0.523 18504 6216 1 13 . 1 1 76 76 SER C C 76 173.767 173.767 175.156 -1.389 18504 6217 1 13 . 1 1 76 76 SER CA C 76 57.758 57.758 57.280 0.478 18504 6218 1 13 . 1 1 76 76 SER CB C 76 64.462 64.462 62.393 2.069 18504 6219 1 13 . 1 1 76 76 SER H H 76 9.050 9.050 8.486 0.564 18504 6220 1 13 . 1 1 77 77 THR N N 77 117.435 117.435 119.396 -1.961 18504 6221 1 13 . 1 1 77 77 THR HA H 77 4.959 4.959 4.249 0.710 18504 6222 1 13 . 1 1 77 77 THR C C 77 172.636 172.636 175.133 -2.497 18504 6223 1 13 . 1 1 77 77 THR CA C 77 58.870 58.870 66.695 -7.825 18504 6224 1 13 . 1 1 77 77 THR CB C 77 69.935 69.935 67.066 2.869 18504 6225 1 13 . 1 1 77 77 THR H H 77 8.601 8.601 8.228 0.373 18504 6226 1 13 . 1 1 78 78 PRO C C 78 179.328 179.328 176.947 2.381 18504 6227 1 13 . 1 1 78 78 PRO CA C 78 63.483 63.483 65.660 -2.177 18504 6228 1 13 . 1 1 78 78 PRO CB C 78 32.162 32.162 30.928 1.234 18504 6229 1 13 . 1 1 79 79 ILE N N 79 120.707 120.707 115.366 5.341 18504 6230 1 13 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.227 0.394 18504 6231 1 13 . 1 1 79 79 ILE C C 79 177.212 177.212 176.384 0.828 18504 6232 1 13 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.277 5.644 18504 6233 1 13 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.265 0.203 18504 6234 1 13 . 1 1 79 79 ILE H H 79 8.227 8.227 7.566 0.661 18504 6235 1 13 . 1 1 80 80 ASN N N 80 118.168 118.168 117.636 0.532 18504 6236 1 13 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.383 0.047 18504 6237 1 13 . 1 1 80 80 ASN C C 80 178.172 178.172 173.679 4.493 18504 6238 1 13 . 1 1 80 80 ASN CA C 80 56.763 56.763 55.052 1.711 18504 6239 1 13 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.702 0.385 18504 6240 1 13 . 1 1 80 80 ASN H H 80 8.466 8.466 8.256 0.210 18504 6241 1 13 . 1 1 81 81 PHE N N 81 129.059 129.059 114.474 14.585 18504 6242 1 13 . 1 1 81 81 PHE C C 81 174.016 174.016 173.908 0.108 18504 6243 1 13 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.817 -1.998 18504 6244 1 13 . 1 1 81 81 PHE CB C 81 39.773 39.773 43.011 -3.238 18504 6245 1 13 . 1 1 81 81 PHE H H 81 9.152 9.152 7.826 1.326 18504 6246 1 13 . 1 1 82 82 LEU N N 82 124.640 124.640 120.482 4.158 18504 6247 1 13 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.639 0.354 18504 6248 1 13 . 1 1 82 82 LEU C C 82 173.695 173.695 175.944 -2.249 18504 6249 1 13 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.828 -0.078 18504 6250 1 13 . 1 1 82 82 LEU CB C 82 44.936 44.936 43.412 1.524 18504 6251 1 13 . 1 1 82 82 LEU H H 82 9.147 9.147 8.223 0.924 18504 6252 1 13 . 1 1 83 83 CYS N N 83 126.066 126.066 124.453 1.613 18504 6253 1 13 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.605 0.633 18504 6254 1 13 . 1 1 83 83 CYS C C 83 173.733 173.733 173.578 0.155 18504 6255 1 13 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.386 -1.025 18504 6256 1 13 . 1 1 83 83 CYS CB C 83 28.374 28.374 27.605 0.769 18504 6257 1 13 . 1 1 83 83 CYS H H 83 9.065 9.065 8.398 0.667 18504 6258 1 13 . 1 1 84 84 ILE N N 84 126.110 126.110 126.209 -0.099 18504 6259 1 13 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.145 0.214 18504 6260 1 13 . 1 1 84 84 ILE C C 84 174.745 174.745 173.758 0.987 18504 6261 1 13 . 1 1 84 84 ILE CA C 84 60.519 60.519 61.280 -0.761 18504 6262 1 13 . 1 1 84 84 ILE CB C 84 40.358 40.358 38.611 1.747 18504 6263 1 13 . 1 1 84 84 ILE H H 84 9.426 9.426 7.975 1.451 18504 6264 1 13 . 1 1 85 85 PHE N N 85 126.315 126.315 127.090 -0.775 18504 6265 1 13 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.962 0.057 18504 6266 1 13 . 1 1 85 85 PHE C C 85 175.358 175.358 174.768 0.590 18504 6267 1 13 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.352 1.379 18504 6268 1 13 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.822 -2.079 18504 6269 1 13 . 1 1 85 85 PHE H H 85 8.337 8.337 8.186 0.151 18504 6270 1 13 . 1 1 86 86 ILE N N 86 126.561 126.561 125.426 1.135 18504 6271 1 13 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.923 -0.020 18504 6272 1 13 . 1 1 86 86 ILE C C 86 173.967 173.967 173.467 0.500 18504 6273 1 13 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.015 -1.629 18504 6274 1 13 . 1 1 86 86 ILE CB C 86 38.811 38.811 41.001 -2.190 18504 6275 1 13 . 1 1 86 86 ILE H H 86 9.161 9.161 9.323 -0.162 18504 6276 1 13 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.658 0.364 18504 6277 1 13 . 1 1 87 87 PRO C C 87 177.938 177.938 175.350 2.588 18504 6278 1 13 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.706 -0.198 18504 6279 1 13 . 1 1 87 87 PRO CB C 87 32.534 32.534 30.899 1.635 18504 6280 1 13 . 1 1 88 88 THR N N 88 113.282 113.282 118.643 -5.361 18504 6281 1 13 . 1 1 88 88 THR HA H 88 4.486 4.486 4.713 -0.227 18504 6282 1 13 . 1 1 88 88 THR C C 88 176.082 176.082 173.122 2.960 18504 6283 1 13 . 1 1 88 88 THR CA C 88 60.306 60.306 61.449 -1.143 18504 6284 1 13 . 1 1 88 88 THR CB C 88 66.727 66.727 72.576 -5.848 18504 6285 1 13 . 1 1 88 88 THR H H 88 8.003 8.003 7.942 0.061 18504 6286 1 13 . 1 1 89 89 LEU N N 89 122.317 122.317 124.714 -2.397 18504 6287 1 13 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.608 -0.599 18504 6288 1 13 . 1 1 89 89 LEU C C 89 175.776 175.776 175.487 0.289 18504 6289 1 13 . 1 1 89 89 LEU CA C 89 53.969 53.969 53.718 0.251 18504 6290 1 13 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.620 -0.625 18504 6291 1 13 . 1 1 89 89 LEU H H 89 7.822 7.822 8.547 -0.725 18504 6292 1 13 . 1 1 90 90 PHE N N 90 114.801 114.801 118.060 -3.259 18504 6293 1 13 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.135 1.425 18504 6294 1 13 . 1 1 90 90 PHE C C 90 175.869 175.869 174.014 1.855 18504 6295 1 13 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.749 -3.653 18504 6296 1 13 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.593 1.514 18504 6297 1 13 . 1 1 90 90 PHE H H 90 7.110 7.110 8.063 -0.953 18504 6298 1 13 . 1 1 91 91 ASP N N 91 127.244 127.244 123.467 3.777 18504 6299 1 13 . 1 1 91 91 ASP HA H 91 4.557 4.557 3.978 0.579 18504 6300 1 13 . 1 1 91 91 ASP C C 91 175.684 175.684 174.210 1.474 18504 6301 1 13 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.301 -1.332 18504 6302 1 13 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.940 0.276 18504 6303 1 13 . 1 1 91 91 ASP H H 91 9.852 9.852 8.289 1.563 18504 6304 1 13 . 1 1 92 92 MET N N 92 113.730 113.730 118.551 -4.821 18504 6305 1 13 . 1 1 92 92 MET HA H 92 4.278 4.278 4.391 -0.113 18504 6306 1 13 . 1 1 92 92 MET C C 92 177.571 177.571 175.549 2.022 18504 6307 1 13 . 1 1 92 92 MET CA C 92 58.815 58.815 54.014 4.801 18504 6308 1 13 . 1 1 92 92 MET CB C 92 32.010 32.010 33.791 -1.781 18504 6309 1 13 . 1 1 92 92 MET H H 92 8.574 8.574 7.502 1.073 18504 6310 1 13 . 1 1 93 93 ASN N N 93 115.175 115.175 117.173 -1.998 18504 6311 1 13 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.383 0.366 18504 6312 1 13 . 1 1 93 93 ASN C C 93 176.300 176.300 174.759 1.541 18504 6313 1 13 . 1 1 93 93 ASN CA C 93 55.193 55.193 53.865 1.328 18504 6314 1 13 . 1 1 93 93 ASN CB C 93 39.426 39.426 37.551 1.875 18504 6315 1 13 . 1 1 93 93 ASN H H 93 8.576 8.576 8.961 -0.386 18504 6316 1 13 . 1 1 94 94 ASN N N 94 119.005 119.005 115.630 3.375 18504 6317 1 13 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.572 0.619 18504 6318 1 13 . 1 1 94 94 ASN C C 94 177.230 177.230 176.706 0.524 18504 6319 1 13 . 1 1 94 94 ASN CA C 94 52.631 52.631 55.230 -2.599 18504 6320 1 13 . 1 1 94 94 ASN CB C 94 38.093 38.093 38.343 -0.250 18504 6321 1 13 . 1 1 94 94 ASN H H 94 8.049 8.049 8.672 -0.623 18504 6322 1 13 . 1 1 95 95 MET N N 95 117.771 117.771 118.004 -0.233 18504 6323 1 13 . 1 1 95 95 MET HA H 95 4.048 4.048 4.336 -0.288 18504 6324 1 13 . 1 1 95 95 MET C C 95 178.005 178.005 176.740 1.265 18504 6325 1 13 . 1 1 95 95 MET CA C 95 58.275 58.275 57.634 0.641 18504 6326 1 13 . 1 1 95 95 MET CB C 95 32.327 32.327 32.799 -0.472 18504 6327 1 13 . 1 1 95 95 MET H H 95 7.489 7.489 8.066 -0.577 18504 6328 1 13 . 1 1 96 96 ASP N N 96 115.629 115.629 115.611 0.018 18504 6329 1 13 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.775 -0.172 18504 6330 1 13 . 1 1 96 96 ASP C C 96 175.593 175.593 174.457 1.136 18504 6331 1 13 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.299 0.641 18504 6332 1 13 . 1 1 96 96 ASP CB C 96 39.445 39.445 42.757 -3.312 18504 6333 1 13 . 1 1 96 96 ASP H H 96 7.777 7.777 7.913 -0.136 18504 6334 1 13 . 1 1 97 97 LEU N N 97 116.343 116.343 123.193 -6.850 18504 6335 1 13 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.491 0.126 18504 6336 1 13 . 1 1 97 97 LEU C C 97 174.835 174.835 177.379 -2.544 18504 6337 1 13 . 1 1 97 97 LEU CA C 97 54.433 54.433 56.538 -2.105 18504 6338 1 13 . 1 1 97 97 LEU CB C 97 39.082 39.082 42.700 -3.618 18504 6339 1 13 . 1 1 97 97 LEU H H 97 8.027 8.027 8.390 -0.363 18504 6340 1 13 . 1 1 98 98 LEU N N 98 118.769 118.769 122.565 -3.796 18504 6341 1 13 . 1 1 98 98 LEU HA H 98 3.364 3.364 3.959 -0.595 18504 6342 1 13 . 1 1 98 98 LEU C C 98 177.586 177.586 177.821 -0.235 18504 6343 1 13 . 1 1 98 98 LEU CA C 98 57.219 57.219 57.482 -0.263 18504 6344 1 13 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.824 -2.724 18504 6345 1 13 . 1 1 98 98 LEU H H 98 7.798 7.798 8.546 -0.748 18504 6346 1 13 . 1 1 99 99 LYS N N 99 117.567 117.567 119.111 -1.544 18504 6347 1 13 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.828 -0.412 18504 6348 1 13 . 1 1 99 99 LYS C C 99 177.639 177.639 179.144 -1.505 18504 6349 1 13 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.446 1.387 18504 6350 1 13 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.906 0.138 18504 6351 1 13 . 1 1 99 99 LYS H H 99 7.603 7.603 8.033 -0.430 18504 6352 1 13 . 1 1 100 100 GLN N N 100 114.564 114.564 117.795 -3.231 18504 6353 1 13 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.176 -0.364 18504 6354 1 13 . 1 1 100 100 GLN C C 100 178.165 178.165 178.141 0.024 18504 6355 1 13 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.545 0.239 18504 6356 1 13 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.616 -1.133 18504 6357 1 13 . 1 1 100 100 GLN H H 100 7.625 7.625 7.860 -0.235 18504 6358 1 13 . 1 1 101 101 ALA N N 101 121.499 121.499 123.257 -1.758 18504 6359 1 13 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.099 -0.811 18504 6360 1 13 . 1 1 101 101 ALA C C 101 178.865 178.865 179.641 -0.776 18504 6361 1 13 . 1 1 101 101 ALA CA C 101 54.964 54.964 55.020 -0.056 18504 6362 1 13 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.329 -0.468 18504 6363 1 13 . 1 1 101 101 ALA H H 101 7.355 7.355 7.857 -0.502 18504 6364 1 13 . 1 1 102 102 LEU N N 102 115.061 115.061 118.588 -3.527 18504 6365 1 13 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.124 0.642 18504 6366 1 13 . 1 1 102 102 LEU C C 102 179.324 179.324 178.810 0.514 18504 6367 1 13 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.140 0.356 18504 6368 1 13 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.301 -0.573 18504 6369 1 13 . 1 1 102 102 LEU H H 102 7.941 7.941 8.489 -0.548 18504 6370 1 13 . 1 1 103 103 LEU N N 103 115.920 115.920 119.930 -4.010 18504 6371 1 13 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.069 0.768 18504 6372 1 13 . 1 1 103 103 LEU C C 103 178.500 178.500 178.940 -0.440 18504 6373 1 13 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.905 -3.016 18504 6374 1 13 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.120 1.647 18504 6375 1 13 . 1 1 103 103 LEU H H 103 8.266 8.266 7.670 0.596 18504 6376 1 13 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.088 0.547 18504 6377 1 13 . 1 1 105 105 LEU C C 105 175.743 175.743 178.563 -2.820 18504 6378 1 13 . 1 1 105 105 LEU CA C 105 58.097 58.097 57.870 0.227 18504 6379 1 13 . 1 1 105 105 LEU CB C 105 38.778 38.778 41.040 -2.262 18504 6380 1 13 . 1 1 106 106 HIS N N 106 122.167 122.167 117.359 4.808 18504 6381 1 13 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.190 0.076 18504 6382 1 13 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.915 -2.801 18504 6383 1 13 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.159 -0.034 18504 6384 1 13 . 1 1 106 106 HIS H H 106 8.252 8.252 8.276 -0.024 18504 6385 1 13 . 1 1 107 107 ASN C C 107 179.694 179.694 176.405 3.289 18504 6386 1 13 . 1 1 107 107 ASN CA C 107 58.331 58.331 55.595 2.736 18504 6387 1 13 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.370 3.627 18504 6388 1 13 . 1 1 108 108 ASP N N 108 122.462 122.462 117.855 4.607 18504 6389 1 13 . 1 1 108 108 ASP C C 108 179.328 179.328 176.898 2.430 18504 6390 1 13 . 1 1 108 108 ASP CA C 108 57.689 57.689 55.053 2.636 18504 6391 1 13 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.874 1.166 18504 6392 1 13 . 1 1 108 108 ASP H H 108 8.174 8.174 7.643 0.531 18504 6393 1 13 . 1 1 109 109 LEU N N 109 115.664 115.664 120.004 -4.340 18504 6394 1 13 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.014 0.838 18504 6395 1 13 . 1 1 109 109 LEU C C 109 178.510 178.510 178.408 0.102 18504 6396 1 13 . 1 1 109 109 LEU CA C 109 55.154 55.154 57.755 -2.602 18504 6397 1 13 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.155 1.993 18504 6398 1 13 . 1 1 109 109 LEU H H 109 8.380 8.380 7.136 1.244 18504 6399 1 13 . 1 1 110 110 HIS N N 110 118.905 118.905 115.656 3.249 18504 6400 1 13 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.173 -0.263 18504 6401 1 13 . 1 1 110 110 HIS C C 110 176.152 176.152 176.958 -0.806 18504 6402 1 13 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.356 3.656 18504 6403 1 13 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.218 -1.107 18504 6404 1 13 . 1 1 110 110 HIS H H 110 8.518 8.518 7.290 1.228 18504 6405 1 13 . 1 1 111 111 GLU N N 111 117.923 117.923 119.497 -1.574 18504 6406 1 13 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.196 -0.465 18504 6407 1 13 . 1 1 111 111 GLU C C 111 176.596 176.596 176.926 -0.330 18504 6408 1 13 . 1 1 111 111 GLU CA C 111 58.394 58.394 59.061 -0.667 18504 6409 1 13 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.922 -0.878 18504 6410 1 13 . 1 1 111 111 GLU H H 111 8.018 8.018 8.176 -0.158 18504 6411 1 13 . 1 1 112 112 TYR N N 112 114.607 114.607 115.543 -0.936 18504 6412 1 13 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.422 0.015 18504 6413 1 13 . 1 1 112 112 TYR C C 112 174.448 174.448 174.498 -0.050 18504 6414 1 13 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.946 -1.174 18504 6415 1 13 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.966 0.021 18504 6416 1 13 . 1 1 112 112 TYR H H 112 7.905 7.905 7.771 0.134 18504 6417 1 13 . 1 1 113 113 VAL N N 113 118.003 118.003 120.245 -2.242 18504 6418 1 13 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.622 0.484 18504 6419 1 13 . 1 1 113 113 VAL C C 113 175.134 175.134 174.371 0.763 18504 6420 1 13 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.634 -0.947 18504 6421 1 13 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.259 2.969 18504 6422 1 13 . 1 1 113 113 VAL H H 113 6.976 6.976 8.415 -1.439 18504 6423 1 14 . 1 1 27 27 SER HA H 27 4.339 4.339 4.736 -0.397 18504 6424 1 14 . 1 1 27 27 SER C C 27 175.743 175.743 173.320 2.423 18504 6425 1 14 . 1 1 27 27 SER CA C 27 60.497 60.497 57.842 2.655 18504 6426 1 14 . 1 1 27 27 SER CB C 27 63.659 63.659 63.992 -0.333 18504 6427 1 14 . 1 1 28 28 LYS N N 28 118.099 118.099 126.769 -8.670 18504 6428 1 14 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.359 0.859 18504 6429 1 14 . 1 1 28 28 LYS C C 28 175.699 175.699 176.080 -0.381 18504 6430 1 14 . 1 1 28 28 LYS CA C 28 55.545 55.545 56.456 -0.911 18504 6431 1 14 . 1 1 28 28 LYS CB C 28 35.913 35.913 33.325 2.588 18504 6432 1 14 . 1 1 28 28 LYS H H 28 7.785 7.785 8.650 -0.865 18504 6433 1 14 . 1 1 29 29 GLN N N 29 122.481 122.481 124.808 -2.327 18504 6434 1 14 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.647 0.091 18504 6435 1 14 . 1 1 29 29 GLN C C 29 174.277 174.277 173.928 0.349 18504 6436 1 14 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.527 0.998 18504 6437 1 14 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.051 -0.181 18504 6438 1 14 . 1 1 29 29 GLN H H 29 9.283 9.283 8.339 0.944 18504 6439 1 14 . 1 1 30 30 GLU N N 30 122.881 122.881 120.135 2.746 18504 6440 1 14 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.467 -0.191 18504 6441 1 14 . 1 1 30 30 GLU C C 30 173.313 173.313 174.303 -0.990 18504 6442 1 14 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.712 1.242 18504 6443 1 14 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.437 -0.383 18504 6444 1 14 . 1 1 30 30 GLU H H 30 9.188 9.188 8.371 0.817 18504 6445 1 14 . 1 1 31 31 LEU N N 31 130.328 130.328 123.866 6.462 18504 6446 1 14 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.626 -0.333 18504 6447 1 14 . 1 1 31 31 LEU C C 31 171.909 171.909 175.504 -3.595 18504 6448 1 14 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.729 -0.448 18504 6449 1 14 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.648 -2.199 18504 6450 1 14 . 1 1 31 31 LEU H H 31 9.016 9.016 8.543 0.473 18504 6451 1 14 . 1 1 32 32 ILE N N 32 120.632 120.632 121.817 -1.185 18504 6452 1 14 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.470 1.058 18504 6453 1 14 . 1 1 32 32 ILE C C 32 175.735 175.735 174.723 1.012 18504 6454 1 14 . 1 1 32 32 ILE CA C 32 59.224 59.224 59.626 -0.402 18504 6455 1 14 . 1 1 32 32 ILE CB C 32 36.625 36.625 39.200 -2.575 18504 6456 1 14 . 1 1 32 32 ILE H H 32 8.738 8.738 8.251 0.487 18504 6457 1 14 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.791 -0.794 18504 6458 1 14 . 1 1 33 33 LEU C C 33 180.030 180.030 175.073 4.957 18504 6459 1 14 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.839 4.494 18504 6460 1 14 . 1 1 33 33 LEU CB C 33 41.433 41.433 46.684 -5.251 18504 6461 1 14 . 1 1 34 34 VAL N N 34 124.025 124.025 118.891 5.134 18504 6462 1 14 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.365 -0.748 18504 6463 1 14 . 1 1 34 34 VAL C C 34 178.222 178.222 173.914 4.308 18504 6464 1 14 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.664 4.458 18504 6465 1 14 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.902 4.040 18504 6466 1 14 . 1 1 34 34 VAL H H 34 7.751 7.751 8.216 -0.465 18504 6467 1 14 . 1 1 35 35 LEU N N 35 120.009 120.009 127.681 -7.672 18504 6468 1 14 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.726 -0.450 18504 6469 1 14 . 1 1 35 35 LEU C C 35 175.855 175.855 175.495 0.360 18504 6470 1 14 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.212 4.163 18504 6471 1 14 . 1 1 35 35 LEU CB C 35 43.089 43.089 44.843 -1.754 18504 6472 1 14 . 1 1 35 35 LEU H H 35 7.532 7.532 8.722 -1.190 18504 6473 1 14 . 1 1 36 36 LYS N N 36 115.805 115.805 118.616 -2.811 18504 6474 1 14 . 1 1 36 36 LYS C C 36 178.903 178.903 175.250 3.653 18504 6475 1 14 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.423 1.924 18504 6476 1 14 . 1 1 36 36 LYS CB C 36 32.903 32.903 33.297 -0.394 18504 6477 1 14 . 1 1 36 36 LYS H H 36 7.501 7.501 8.604 -1.103 18504 6478 1 14 . 1 1 37 37 GLY N N 37 110.626 110.626 110.354 0.272 18504 6479 1 14 . 1 1 37 37 GLY C C 37 174.865 174.865 173.929 0.936 18504 6480 1 14 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.490 2.976 18504 6481 1 14 . 1 1 37 37 GLY H H 37 8.811 8.811 8.566 0.245 18504 6482 1 14 . 1 1 38 38 GLU N N 38 116.098 116.098 119.992 -3.894 18504 6483 1 14 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.399 -0.097 18504 6484 1 14 . 1 1 38 38 GLU C C 38 176.681 176.681 175.631 1.050 18504 6485 1 14 . 1 1 38 38 GLU CA C 38 57.184 57.184 55.778 1.406 18504 6486 1 14 . 1 1 38 38 GLU CB C 38 28.829 28.829 29.398 -0.569 18504 6487 1 14 . 1 1 38 38 GLU H H 38 8.763 8.763 8.243 0.520 18504 6488 1 14 . 1 1 39 39 LEU N N 39 119.439 119.439 127.199 -7.760 18504 6489 1 14 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.418 -0.152 18504 6490 1 14 . 1 1 39 39 LEU C C 39 176.016 176.016 177.474 -1.458 18504 6491 1 14 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.979 -1.254 18504 6492 1 14 . 1 1 39 39 LEU CB C 39 43.602 43.602 43.168 0.434 18504 6493 1 14 . 1 1 39 39 LEU H H 39 7.167 7.167 8.581 -1.414 18504 6494 1 14 . 1 1 40 40 ASP N N 40 120.105 120.105 119.166 0.939 18504 6495 1 14 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.617 0.111 18504 6496 1 14 . 1 1 40 40 ASP C C 40 178.198 178.198 176.428 1.770 18504 6497 1 14 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.240 -2.050 18504 6498 1 14 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.641 -1.084 18504 6499 1 14 . 1 1 40 40 ASP H H 40 8.596 8.596 8.462 0.134 18504 6500 1 14 . 1 1 41 41 LEU N N 41 125.023 125.023 122.307 2.716 18504 6501 1 14 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.652 -0.899 18504 6502 1 14 . 1 1 41 41 LEU C C 41 175.113 175.113 176.069 -0.956 18504 6503 1 14 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.686 0.981 18504 6504 1 14 . 1 1 41 41 LEU CB C 41 39.849 39.849 43.937 -4.088 18504 6505 1 14 . 1 1 41 41 LEU H H 41 9.029 9.029 8.061 0.968 18504 6506 1 14 . 1 1 42 42 HIS N N 42 113.184 113.184 122.067 -8.883 18504 6507 1 14 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.706 -0.182 18504 6508 1 14 . 1 1 42 42 HIS C C 42 175.855 175.855 174.880 0.975 18504 6509 1 14 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.848 -0.932 18504 6510 1 14 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.455 -0.318 18504 6511 1 14 . 1 1 42 42 HIS H H 42 8.065 8.065 8.525 -0.460 18504 6512 1 14 . 1 1 43 43 SER N N 43 116.013 116.013 117.006 -0.993 18504 6513 1 14 . 1 1 43 43 SER HA H 43 4.524 4.524 4.602 -0.078 18504 6514 1 14 . 1 1 43 43 SER C C 43 174.426 174.426 175.246 -0.820 18504 6515 1 14 . 1 1 43 43 SER CA C 43 58.206 58.206 58.055 0.151 18504 6516 1 14 . 1 1 43 43 SER CB C 43 65.517 65.517 63.408 2.109 18504 6517 1 14 . 1 1 43 43 SER H H 43 7.511 7.511 8.280 -0.769 18504 6518 1 14 . 1 1 44 44 LYS N N 44 123.332 123.332 123.707 -0.375 18504 6519 1 14 . 1 1 44 44 LYS C C 44 177.791 177.791 177.956 -0.165 18504 6520 1 14 . 1 1 44 44 LYS CA C 44 59.456 59.456 59.351 0.105 18504 6521 1 14 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.206 -2.034 18504 6522 1 14 . 1 1 44 44 LYS H H 44 8.846 8.846 8.131 0.715 18504 6523 1 14 . 1 1 45 45 ASN N N 45 118.501 118.501 116.379 2.122 18504 6524 1 14 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.472 -0.002 18504 6525 1 14 . 1 1 45 45 ASN C C 45 177.817 177.817 176.857 0.960 18504 6526 1 14 . 1 1 45 45 ASN CA C 45 56.928 56.928 55.906 1.022 18504 6527 1 14 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.864 0.540 18504 6528 1 14 . 1 1 45 45 ASN H H 45 8.545 8.545 8.381 0.164 18504 6529 1 14 . 1 1 46 46 MET N N 46 116.171 116.171 120.396 -4.225 18504 6530 1 14 . 1 1 46 46 MET HA H 46 4.471 4.471 4.168 0.303 18504 6531 1 14 . 1 1 46 46 MET C C 46 178.964 178.964 178.017 0.947 18504 6532 1 14 . 1 1 46 46 MET CA C 46 55.467 55.467 59.307 -3.840 18504 6533 1 14 . 1 1 46 46 MET CB C 46 29.707 29.707 32.700 -2.993 18504 6534 1 14 . 1 1 46 46 MET H H 46 7.379 7.379 7.869 -0.490 18504 6535 1 14 . 1 1 47 47 LYS N N 47 121.054 121.054 117.789 3.265 18504 6536 1 14 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.957 -0.073 18504 6537 1 14 . 1 1 47 47 LYS C C 47 179.310 179.310 178.786 0.524 18504 6538 1 14 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.708 0.631 18504 6539 1 14 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.067 -0.317 18504 6540 1 14 . 1 1 47 47 LYS H H 47 8.450 8.450 8.188 0.262 18504 6541 1 14 . 1 1 48 48 ASN N N 48 117.137 117.137 116.810 0.327 18504 6542 1 14 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.498 -0.617 18504 6543 1 14 . 1 1 48 48 ASN C C 48 177.733 177.733 177.202 0.531 18504 6544 1 14 . 1 1 48 48 ASN CA C 48 56.540 56.540 55.831 0.709 18504 6545 1 14 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.022 0.312 18504 6546 1 14 . 1 1 48 48 ASN H H 48 7.896 7.896 7.417 0.479 18504 6547 1 14 . 1 1 49 49 VAL N N 49 121.225 121.225 119.952 1.273 18504 6548 1 14 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.571 0.108 18504 6549 1 14 . 1 1 49 49 VAL C C 49 176.675 176.675 177.484 -0.809 18504 6550 1 14 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.069 0.365 18504 6551 1 14 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.179 0.890 18504 6552 1 14 . 1 1 49 49 VAL H H 49 7.869 7.869 7.296 0.573 18504 6553 1 14 . 1 1 50 50 ILE N N 50 120.523 120.523 119.912 0.611 18504 6554 1 14 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.497 0.753 18504 6555 1 14 . 1 1 50 50 ILE C C 50 179.831 179.831 177.792 2.039 18504 6556 1 14 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.999 -7.059 18504 6557 1 14 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.888 2.224 18504 6558 1 14 . 1 1 50 50 ILE H H 50 8.093 8.093 7.615 0.477 18504 6559 1 14 . 1 1 51 51 ASN N N 51 117.280 117.280 117.708 -0.428 18504 6560 1 14 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.465 -0.446 18504 6561 1 14 . 1 1 51 51 ASN C C 51 178.496 178.496 177.484 1.012 18504 6562 1 14 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.965 -0.353 18504 6563 1 14 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.493 -0.138 18504 6564 1 14 . 1 1 51 51 ASN H H 51 7.953 7.953 7.810 0.143 18504 6565 1 14 . 1 1 52 52 ASN N N 52 118.893 118.893 119.596 -0.703 18504 6566 1 14 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.448 -0.033 18504 6567 1 14 . 1 1 52 52 ASN C C 52 176.434 176.434 176.949 -0.515 18504 6568 1 14 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.960 -0.190 18504 6569 1 14 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.602 -0.249 18504 6570 1 14 . 1 1 52 52 ASN H H 52 8.347 8.347 7.937 0.410 18504 6571 1 14 . 1 1 53 53 ALA N N 53 122.291 122.291 122.226 0.065 18504 6572 1 14 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.078 0.436 18504 6573 1 14 . 1 1 53 53 ALA C C 53 180.689 180.689 179.577 1.112 18504 6574 1 14 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.072 -0.171 18504 6575 1 14 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.244 -0.344 18504 6576 1 14 . 1 1 53 53 ALA H H 53 7.706 7.706 8.701 -0.995 18504 6577 1 14 . 1 1 54 54 LYS N N 54 119.091 119.091 118.430 0.661 18504 6578 1 14 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.142 -0.305 18504 6579 1 14 . 1 1 54 54 LYS C C 54 178.066 178.066 178.653 -0.587 18504 6580 1 14 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.363 0.943 18504 6581 1 14 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.470 -0.382 18504 6582 1 14 . 1 1 54 54 LYS H H 54 8.375 8.375 7.666 0.709 18504 6583 1 14 . 1 1 55 55 LYS N N 55 119.370 119.370 120.096 -0.726 18504 6584 1 14 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.894 -0.021 18504 6585 1 14 . 1 1 55 55 LYS C C 55 179.819 179.819 178.947 0.872 18504 6586 1 14 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.931 0.355 18504 6587 1 14 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.343 -0.353 18504 6588 1 14 . 1 1 55 55 LYS H H 55 8.259 8.259 7.951 0.308 18504 6589 1 14 . 1 1 56 56 ASN N N 56 119.303 119.303 118.075 1.228 18504 6590 1 14 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.393 0.016 18504 6591 1 14 . 1 1 56 56 ASN C C 56 178.899 178.899 177.551 1.348 18504 6592 1 14 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.797 -0.057 18504 6593 1 14 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.205 -1.102 18504 6594 1 14 . 1 1 56 56 ASN H H 56 8.235 8.235 8.048 0.187 18504 6595 1 14 . 1 1 57 57 LEU N N 57 123.252 123.252 121.979 1.273 18504 6596 1 14 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.150 0.532 18504 6597 1 14 . 1 1 57 57 LEU C C 57 178.541 178.541 179.284 -0.743 18504 6598 1 14 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.603 -0.404 18504 6599 1 14 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.023 0.603 18504 6600 1 14 . 1 1 57 57 LEU H H 57 8.210 8.210 7.827 0.383 18504 6601 1 14 . 1 1 58 58 GLU N N 58 118.795 118.795 117.376 1.419 18504 6602 1 14 . 1 1 58 58 GLU HA H 58 4.003 4.003 2.266 1.737 18504 6603 1 14 . 1 1 58 58 GLU C C 58 177.333 177.333 178.695 -1.362 18504 6604 1 14 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.108 2.037 18504 6605 1 14 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.914 1.398 18504 6606 1 14 . 1 1 58 58 GLU H H 58 8.846 8.846 8.352 0.494 18504 6607 1 14 . 1 1 59 59 LYS N N 59 118.325 118.325 118.684 -0.359 18504 6608 1 14 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.754 0.721 18504 6609 1 14 . 1 1 59 59 LYS C C 59 178.428 178.428 178.492 -0.064 18504 6610 1 14 . 1 1 59 59 LYS CA C 59 60.145 60.145 58.819 1.325 18504 6611 1 14 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.811 0.876 18504 6612 1 14 . 1 1 59 59 LYS H H 59 8.373 8.373 7.604 0.769 18504 6613 1 14 . 1 1 60 60 TYR N N 60 119.345 119.345 118.196 1.149 18504 6614 1 14 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.074 0.253 18504 6615 1 14 . 1 1 60 60 TYR C C 60 178.899 178.899 178.548 0.351 18504 6616 1 14 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.698 1.696 18504 6617 1 14 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.894 -0.600 18504 6618 1 14 . 1 1 60 60 TYR H H 60 7.532 7.532 7.648 -0.116 18504 6619 1 14 . 1 1 61 61 PHE N N 61 118.931 118.931 116.727 2.204 18504 6620 1 14 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.925 -0.597 18504 6621 1 14 . 1 1 61 61 PHE C C 61 178.450 178.450 177.552 0.898 18504 6622 1 14 . 1 1 61 61 PHE CA C 61 62.394 62.394 58.538 3.856 18504 6623 1 14 . 1 1 61 61 PHE CB C 61 37.923 37.923 38.725 -0.802 18504 6624 1 14 . 1 1 61 61 PHE H H 61 8.607 8.607 7.844 0.763 18504 6625 1 14 . 1 1 62 62 LYS N N 62 118.337 118.337 120.557 -2.220 18504 6626 1 14 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.414 -0.112 18504 6627 1 14 . 1 1 62 62 LYS C C 62 178.333 178.333 178.021 0.312 18504 6628 1 14 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.990 0.321 18504 6629 1 14 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.625 0.224 18504 6630 1 14 . 1 1 62 62 LYS H H 62 8.615 8.615 8.053 0.562 18504 6631 1 14 . 1 1 63 63 GLU N N 63 116.360 116.360 117.106 -0.746 18504 6632 1 14 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.311 -0.385 18504 6633 1 14 . 1 1 63 63 GLU C C 63 177.317 177.317 178.121 -0.804 18504 6634 1 14 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.948 0.368 18504 6635 1 14 . 1 1 63 63 GLU CB C 63 29.356 29.356 31.147 -1.791 18504 6636 1 14 . 1 1 63 63 GLU H H 63 7.547 7.547 7.595 -0.048 18504 6637 1 14 . 1 1 64 64 HIS N N 64 113.580 113.580 117.275 -3.695 18504 6638 1 14 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.627 -0.206 18504 6639 1 14 . 1 1 64 64 HIS C C 64 173.911 173.911 174.844 -0.933 18504 6640 1 14 . 1 1 64 64 HIS CA C 64 58.082 58.082 54.872 3.210 18504 6641 1 14 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.171 1.664 18504 6642 1 14 . 1 1 64 64 HIS H H 64 7.013 7.013 7.771 -0.758 18504 6643 1 14 . 1 1 65 65 PHE N N 65 119.434 119.434 117.502 1.932 18504 6644 1 14 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.459 0.477 18504 6645 1 14 . 1 1 65 65 PHE C C 65 175.232 175.232 174.613 0.619 18504 6646 1 14 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.078 -1.855 18504 6647 1 14 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.018 3.344 18504 6648 1 14 . 1 1 65 65 PHE H H 65 8.340 8.340 8.491 -0.151 18504 6649 1 14 . 1 1 66 66 LYS N N 66 123.217 123.217 117.007 6.210 18504 6650 1 14 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.765 -0.477 18504 6651 1 14 . 1 1 66 66 LYS C C 66 177.685 177.685 174.800 2.885 18504 6652 1 14 . 1 1 66 66 LYS CA C 66 58.798 58.798 54.500 4.298 18504 6653 1 14 . 1 1 66 66 LYS CB C 66 32.473 32.473 35.597 -3.124 18504 6654 1 14 . 1 1 66 66 LYS H H 66 8.590 8.590 8.262 0.328 18504 6655 1 14 . 1 1 67 67 GLU N N 67 117.085 117.085 121.246 -4.161 18504 6656 1 14 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.631 -0.270 18504 6657 1 14 . 1 1 67 67 GLU C C 67 175.770 175.770 174.935 0.835 18504 6658 1 14 . 1 1 67 67 GLU CA C 67 56.364 56.364 55.783 0.581 18504 6659 1 14 . 1 1 67 67 GLU CB C 67 29.103 29.103 29.317 -0.214 18504 6660 1 14 . 1 1 67 67 GLU H H 67 8.969 8.969 8.679 0.290 18504 6661 1 14 . 1 1 68 68 PHE N N 68 121.127 121.127 120.535 0.592 18504 6662 1 14 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.490 -0.218 18504 6663 1 14 . 1 1 68 68 PHE C C 68 173.621 173.621 173.239 0.382 18504 6664 1 14 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.598 1.498 18504 6665 1 14 . 1 1 68 68 PHE CB C 68 40.772 40.772 43.137 -2.365 18504 6666 1 14 . 1 1 68 68 PHE H H 68 7.752 7.752 7.836 -0.084 18504 6667 1 14 . 1 1 69 69 ASP N N 69 125.720 125.720 119.307 6.413 18504 6668 1 14 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.199 0.404 18504 6669 1 14 . 1 1 69 69 ASP C C 69 173.387 173.387 174.343 -0.956 18504 6670 1 14 . 1 1 69 69 ASP CA C 69 54.881 54.881 55.087 -0.206 18504 6671 1 14 . 1 1 69 69 ASP CB C 69 41.806 41.806 40.161 1.645 18504 6672 1 14 . 1 1 69 69 ASP H H 69 7.767 7.767 8.593 -0.826 18504 6673 1 14 . 1 1 70 70 LYS N N 70 115.004 115.004 121.323 -6.319 18504 6674 1 14 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.546 -0.097 18504 6675 1 14 . 1 1 70 70 LYS C C 70 175.841 175.841 174.947 0.894 18504 6676 1 14 . 1 1 70 70 LYS CA C 70 55.486 55.486 55.306 0.180 18504 6677 1 14 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.234 -0.453 18504 6678 1 14 . 1 1 70 70 LYS H H 70 7.305 7.305 7.720 -0.415 18504 6679 1 14 . 1 1 71 71 ILE N N 71 122.809 122.809 119.070 3.739 18504 6680 1 14 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.360 0.349 18504 6681 1 14 . 1 1 71 71 ILE C C 71 175.120 175.120 174.631 0.489 18504 6682 1 14 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.677 -1.425 18504 6683 1 14 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.524 -2.222 18504 6684 1 14 . 1 1 71 71 ILE H H 71 9.522 9.522 8.234 1.288 18504 6685 1 14 . 1 1 72 72 SER N N 72 121.741 121.741 120.551 1.190 18504 6686 1 14 . 1 1 72 72 SER HA H 72 4.920 4.920 4.993 -0.073 18504 6687 1 14 . 1 1 72 72 SER C C 72 172.157 172.157 172.698 -0.541 18504 6688 1 14 . 1 1 72 72 SER CA C 72 57.730 57.730 56.923 0.807 18504 6689 1 14 . 1 1 72 72 SER CB C 72 65.634 65.634 65.068 0.566 18504 6690 1 14 . 1 1 72 72 SER H H 72 8.760 8.760 8.141 0.619 18504 6691 1 14 . 1 1 73 73 TYR N N 73 118.245 118.245 121.024 -2.779 18504 6692 1 14 . 1 1 73 73 TYR HA H 73 5.721 5.721 5.065 0.656 18504 6693 1 14 . 1 1 73 73 TYR C C 73 173.231 173.231 173.490 -0.259 18504 6694 1 14 . 1 1 73 73 TYR CA C 73 56.230 56.230 55.689 0.541 18504 6695 1 14 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.109 1.274 18504 6696 1 14 . 1 1 73 73 TYR H H 73 8.275 8.275 8.461 -0.186 18504 6697 1 14 . 1 1 74 74 ASP N N 74 120.379 120.379 119.996 0.383 18504 6698 1 14 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.744 0.311 18504 6699 1 14 . 1 1 74 74 ASP C C 74 174.827 174.827 174.117 0.710 18504 6700 1 14 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.337 0.264 18504 6701 1 14 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.632 1.008 18504 6702 1 14 . 1 1 74 74 ASP H H 74 9.332 9.332 8.487 0.845 18504 6703 1 14 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.271 0.313 18504 6704 1 14 . 1 1 75 75 ILE C C 75 177.411 177.411 175.099 2.312 18504 6705 1 14 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.826 -1.617 18504 6706 1 14 . 1 1 75 75 ILE CB C 75 40.768 40.768 39.859 0.909 18504 6707 1 14 . 1 1 75 75 ILE H H 75 7.501 7.501 8.260 -0.759 18504 6708 1 14 . 1 1 76 76 SER N N 76 117.836 117.836 120.060 -2.224 18504 6709 1 14 . 1 1 76 76 SER HA H 76 5.450 5.450 4.894 0.556 18504 6710 1 14 . 1 1 76 76 SER C C 76 173.767 173.767 175.332 -1.565 18504 6711 1 14 . 1 1 76 76 SER CA C 76 57.758 57.758 56.194 1.564 18504 6712 1 14 . 1 1 76 76 SER CB C 76 64.462 64.462 64.102 0.360 18504 6713 1 14 . 1 1 76 76 SER H H 76 9.050 9.050 8.843 0.207 18504 6714 1 14 . 1 1 77 77 THR N N 77 117.435 117.435 122.114 -4.679 18504 6715 1 14 . 1 1 77 77 THR HA H 77 4.959 4.959 4.341 0.618 18504 6716 1 14 . 1 1 77 77 THR C C 77 172.636 172.636 173.610 -0.974 18504 6717 1 14 . 1 1 77 77 THR CA C 77 58.870 58.870 65.067 -6.197 18504 6718 1 14 . 1 1 77 77 THR CB C 77 69.935 69.935 66.912 3.023 18504 6719 1 14 . 1 1 77 77 THR H H 77 8.601 8.601 8.557 0.044 18504 6720 1 14 . 1 1 78 78 PRO C C 78 179.328 179.328 176.774 2.554 18504 6721 1 14 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.540 -1.056 18504 6722 1 14 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.494 0.668 18504 6723 1 14 . 1 1 79 79 ILE N N 79 120.707 120.707 118.389 2.318 18504 6724 1 14 . 1 1 79 79 ILE HA H 79 4.621 4.621 3.557 1.064 18504 6725 1 14 . 1 1 79 79 ILE C C 79 177.212 177.212 175.158 2.054 18504 6726 1 14 . 1 1 79 79 ILE CA C 79 65.921 65.921 61.338 4.583 18504 6727 1 14 . 1 1 79 79 ILE CB C 79 37.468 37.468 35.228 2.240 18504 6728 1 14 . 1 1 79 79 ILE H H 79 8.227 8.227 8.400 -0.173 18504 6729 1 14 . 1 1 80 80 ASN N N 80 118.168 118.168 116.998 1.170 18504 6730 1 14 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.386 0.043 18504 6731 1 14 . 1 1 80 80 ASN C C 80 178.172 178.172 173.407 4.765 18504 6732 1 14 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.286 2.477 18504 6733 1 14 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.967 0.120 18504 6734 1 14 . 1 1 80 80 ASN H H 80 8.466 8.466 8.365 0.101 18504 6735 1 14 . 1 1 81 81 PHE N N 81 129.059 129.059 116.634 12.425 18504 6736 1 14 . 1 1 81 81 PHE C C 81 174.016 174.016 174.117 -0.101 18504 6737 1 14 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.253 -2.434 18504 6738 1 14 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.453 -2.680 18504 6739 1 14 . 1 1 81 81 PHE H H 81 9.152 9.152 8.135 1.017 18504 6740 1 14 . 1 1 82 82 LEU N N 82 124.640 124.640 121.262 3.378 18504 6741 1 14 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.820 0.173 18504 6742 1 14 . 1 1 82 82 LEU C C 82 173.695 173.695 175.289 -1.594 18504 6743 1 14 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.695 0.055 18504 6744 1 14 . 1 1 82 82 LEU CB C 82 44.936 44.936 42.748 2.188 18504 6745 1 14 . 1 1 82 82 LEU H H 82 9.147 9.147 8.559 0.588 18504 6746 1 14 . 1 1 83 83 CYS N N 83 126.066 126.066 125.041 1.025 18504 6747 1 14 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.637 0.601 18504 6748 1 14 . 1 1 83 83 CYS C C 83 173.733 173.733 173.255 0.478 18504 6749 1 14 . 1 1 83 83 CYS CA C 83 56.361 56.361 58.298 -1.937 18504 6750 1 14 . 1 1 83 83 CYS CB C 83 28.374 28.374 28.833 -0.459 18504 6751 1 14 . 1 1 83 83 CYS H H 83 9.065 9.065 8.451 0.614 18504 6752 1 14 . 1 1 84 84 ILE N N 84 126.110 126.110 127.987 -1.877 18504 6753 1 14 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.444 -0.085 18504 6754 1 14 . 1 1 84 84 ILE C C 84 174.745 174.745 174.212 0.533 18504 6755 1 14 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.702 -0.183 18504 6756 1 14 . 1 1 84 84 ILE CB C 84 40.358 40.358 40.493 -0.135 18504 6757 1 14 . 1 1 84 84 ILE H H 84 9.426 9.426 8.574 0.852 18504 6758 1 14 . 1 1 85 85 PHE N N 85 126.315 126.315 127.444 -1.129 18504 6759 1 14 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.897 0.121 18504 6760 1 14 . 1 1 85 85 PHE C C 85 175.358 175.358 174.533 0.825 18504 6761 1 14 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.834 0.897 18504 6762 1 14 . 1 1 85 85 PHE CB C 85 38.742 38.742 41.320 -2.578 18504 6763 1 14 . 1 1 85 85 PHE H H 85 8.337 8.337 9.029 -0.692 18504 6764 1 14 . 1 1 86 86 ILE N N 86 126.561 126.561 126.741 -0.180 18504 6765 1 14 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.640 0.263 18504 6766 1 14 . 1 1 86 86 ILE C C 86 173.967 173.967 173.591 0.376 18504 6767 1 14 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.116 -1.730 18504 6768 1 14 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.057 -1.246 18504 6769 1 14 . 1 1 86 86 ILE H H 86 9.161 9.161 8.170 0.991 18504 6770 1 14 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.799 0.223 18504 6771 1 14 . 1 1 87 87 PRO C C 87 177.938 177.938 175.648 2.290 18504 6772 1 14 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.598 -0.090 18504 6773 1 14 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.914 0.620 18504 6774 1 14 . 1 1 88 88 THR N N 88 113.282 113.282 117.280 -3.998 18504 6775 1 14 . 1 1 88 88 THR HA H 88 4.486 4.486 4.741 -0.255 18504 6776 1 14 . 1 1 88 88 THR C C 88 176.082 176.082 173.876 2.206 18504 6777 1 14 . 1 1 88 88 THR CA C 88 60.306 60.306 59.305 1.001 18504 6778 1 14 . 1 1 88 88 THR CB C 88 66.727 66.727 71.872 -5.145 18504 6779 1 14 . 1 1 88 88 THR H H 88 8.003 8.003 8.061 -0.058 18504 6780 1 14 . 1 1 89 89 LEU N N 89 122.317 122.317 121.972 0.345 18504 6781 1 14 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.662 -0.653 18504 6782 1 14 . 1 1 89 89 LEU C C 89 175.776 175.776 176.661 -0.885 18504 6783 1 14 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.066 -0.097 18504 6784 1 14 . 1 1 89 89 LEU CB C 89 41.996 41.996 43.690 -1.694 18504 6785 1 14 . 1 1 89 89 LEU H H 89 7.822 7.822 8.854 -1.032 18504 6786 1 14 . 1 1 90 90 PHE N N 90 114.801 114.801 121.035 -6.234 18504 6787 1 14 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.053 1.507 18504 6788 1 14 . 1 1 90 90 PHE C C 90 175.869 175.869 175.274 0.595 18504 6789 1 14 . 1 1 90 90 PHE CA C 90 55.096 55.096 59.128 -4.032 18504 6790 1 14 . 1 1 90 90 PHE CB C 90 40.107 40.107 39.226 0.881 18504 6791 1 14 . 1 1 90 90 PHE H H 90 7.110 7.110 7.621 -0.511 18504 6792 1 14 . 1 1 91 91 ASP N N 91 127.244 127.244 121.173 6.071 18504 6793 1 14 . 1 1 91 91 ASP HA H 91 4.557 4.557 3.916 0.641 18504 6794 1 14 . 1 1 91 91 ASP C C 91 175.684 175.684 174.390 1.294 18504 6795 1 14 . 1 1 91 91 ASP CA C 91 52.969 52.969 55.174 -2.205 18504 6796 1 14 . 1 1 91 91 ASP CB C 91 42.216 42.216 40.312 1.904 18504 6797 1 14 . 1 1 91 91 ASP H H 91 9.852 9.852 8.044 1.808 18504 6798 1 14 . 1 1 92 92 MET N N 92 113.730 113.730 118.818 -5.088 18504 6799 1 14 . 1 1 92 92 MET HA H 92 4.278 4.278 4.522 -0.244 18504 6800 1 14 . 1 1 92 92 MET C C 92 177.571 177.571 174.895 2.676 18504 6801 1 14 . 1 1 92 92 MET CA C 92 58.815 58.815 55.129 3.687 18504 6802 1 14 . 1 1 92 92 MET CB C 92 32.010 32.010 33.433 -1.423 18504 6803 1 14 . 1 1 92 92 MET H H 92 8.574 8.574 7.825 0.749 18504 6804 1 14 . 1 1 93 93 ASN N N 93 115.175 115.175 118.738 -3.563 18504 6805 1 14 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.461 0.288 18504 6806 1 14 . 1 1 93 93 ASN C C 93 176.300 176.300 175.146 1.154 18504 6807 1 14 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.369 0.824 18504 6808 1 14 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.264 1.162 18504 6809 1 14 . 1 1 93 93 ASN H H 93 8.576 8.576 8.655 -0.079 18504 6810 1 14 . 1 1 94 94 ASN N N 94 119.005 119.005 115.445 3.560 18504 6811 1 14 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.507 0.684 18504 6812 1 14 . 1 1 94 94 ASN C C 94 177.230 177.230 176.564 0.666 18504 6813 1 14 . 1 1 94 94 ASN CA C 94 52.631 52.631 55.484 -2.853 18504 6814 1 14 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.866 0.227 18504 6815 1 14 . 1 1 94 94 ASN H H 94 8.049 8.049 8.570 -0.521 18504 6816 1 14 . 1 1 95 95 MET N N 95 117.771 117.771 117.416 0.355 18504 6817 1 14 . 1 1 95 95 MET HA H 95 4.048 4.048 4.336 -0.288 18504 6818 1 14 . 1 1 95 95 MET C C 95 178.005 178.005 177.441 0.564 18504 6819 1 14 . 1 1 95 95 MET CA C 95 58.275 58.275 58.077 0.198 18504 6820 1 14 . 1 1 95 95 MET CB C 95 32.327 32.327 31.902 0.425 18504 6821 1 14 . 1 1 95 95 MET H H 95 7.489 7.489 8.214 -0.725 18504 6822 1 14 . 1 1 96 96 ASP N N 96 115.629 115.629 120.651 -5.022 18504 6823 1 14 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.734 -0.131 18504 6824 1 14 . 1 1 96 96 ASP C C 96 175.593 175.593 175.088 0.505 18504 6825 1 14 . 1 1 96 96 ASP CA C 96 54.940 54.940 55.141 -0.201 18504 6826 1 14 . 1 1 96 96 ASP CB C 96 39.445 39.445 38.802 0.643 18504 6827 1 14 . 1 1 96 96 ASP H H 96 7.777 7.777 7.829 -0.052 18504 6828 1 14 . 1 1 97 97 LEU N N 97 116.343 116.343 119.560 -3.217 18504 6829 1 14 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.473 0.144 18504 6830 1 14 . 1 1 97 97 LEU C C 97 174.835 174.835 175.779 -0.944 18504 6831 1 14 . 1 1 97 97 LEU CA C 97 54.433 54.433 57.290 -2.857 18504 6832 1 14 . 1 1 97 97 LEU CB C 97 39.082 39.082 42.373 -3.291 18504 6833 1 14 . 1 1 97 97 LEU H H 97 8.027 8.027 7.736 0.291 18504 6834 1 14 . 1 1 98 98 LEU N N 98 118.769 118.769 121.354 -2.585 18504 6835 1 14 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.022 -0.658 18504 6836 1 14 . 1 1 98 98 LEU C C 98 177.586 177.586 178.167 -0.581 18504 6837 1 14 . 1 1 98 98 LEU CA C 98 57.219 57.219 58.309 -1.090 18504 6838 1 14 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.999 -2.899 18504 6839 1 14 . 1 1 98 98 LEU H H 98 7.798 7.798 7.843 -0.045 18504 6840 1 14 . 1 1 99 99 LYS N N 99 117.567 117.567 118.196 -0.629 18504 6841 1 14 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.876 -0.460 18504 6842 1 14 . 1 1 99 99 LYS C C 99 177.639 177.639 178.744 -1.105 18504 6843 1 14 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.392 1.441 18504 6844 1 14 . 1 1 99 99 LYS CB C 99 32.044 32.044 32.148 -0.104 18504 6845 1 14 . 1 1 99 99 LYS H H 99 7.603 7.603 7.937 -0.334 18504 6846 1 14 . 1 1 100 100 GLN N N 100 114.564 114.564 118.716 -4.152 18504 6847 1 14 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.115 -0.303 18504 6848 1 14 . 1 1 100 100 GLN C C 100 178.165 178.165 177.992 0.173 18504 6849 1 14 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.827 -0.043 18504 6850 1 14 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.762 -1.279 18504 6851 1 14 . 1 1 100 100 GLN H H 100 7.625 7.625 7.587 0.038 18504 6852 1 14 . 1 1 101 101 ALA N N 101 121.499 121.499 123.157 -1.658 18504 6853 1 14 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.055 -0.767 18504 6854 1 14 . 1 1 101 101 ALA C C 101 178.865 178.865 179.767 -0.902 18504 6855 1 14 . 1 1 101 101 ALA CA C 101 54.964 54.964 55.113 -0.149 18504 6856 1 14 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.318 -0.457 18504 6857 1 14 . 1 1 101 101 ALA H H 101 7.355 7.355 7.548 -0.193 18504 6858 1 14 . 1 1 102 102 LEU N N 102 115.061 115.061 118.072 -3.011 18504 6859 1 14 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.025 0.741 18504 6860 1 14 . 1 1 102 102 LEU C C 102 179.324 179.324 179.130 0.194 18504 6861 1 14 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.510 -0.014 18504 6862 1 14 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.961 -0.233 18504 6863 1 14 . 1 1 102 102 LEU H H 102 7.941 7.941 8.500 -0.559 18504 6864 1 14 . 1 1 103 103 LEU N N 103 115.920 115.920 119.734 -3.814 18504 6865 1 14 . 1 1 103 103 LEU HA H 103 4.837 4.837 3.994 0.843 18504 6866 1 14 . 1 1 103 103 LEU C C 103 178.500 178.500 178.907 -0.407 18504 6867 1 14 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.807 -2.918 18504 6868 1 14 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.007 1.759 18504 6869 1 14 . 1 1 103 103 LEU H H 103 8.266 8.266 7.320 0.946 18504 6870 1 14 . 1 1 105 105 LEU HA H 105 4.635 4.635 3.986 0.649 18504 6871 1 14 . 1 1 105 105 LEU C C 105 175.743 175.743 178.795 -3.052 18504 6872 1 14 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.767 -0.669 18504 6873 1 14 . 1 1 105 105 LEU CB C 105 38.778 38.778 41.026 -2.248 18504 6874 1 14 . 1 1 106 106 HIS N N 106 122.167 122.167 118.757 3.410 18504 6875 1 14 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.288 -0.022 18504 6876 1 14 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.104 -2.990 18504 6877 1 14 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.041 0.084 18504 6878 1 14 . 1 1 106 106 HIS H H 106 8.252 8.252 7.955 0.297 18504 6879 1 14 . 1 1 107 107 ASN C C 107 179.694 179.694 177.505 2.189 18504 6880 1 14 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.916 1.415 18504 6881 1 14 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.219 3.778 18504 6882 1 14 . 1 1 108 108 ASP N N 108 122.462 122.462 119.773 2.689 18504 6883 1 14 . 1 1 108 108 ASP C C 108 179.328 179.328 177.828 1.500 18504 6884 1 14 . 1 1 108 108 ASP CA C 108 57.689 57.689 57.508 0.181 18504 6885 1 14 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.020 1.020 18504 6886 1 14 . 1 1 108 108 ASP H H 108 8.174 8.174 8.711 -0.537 18504 6887 1 14 . 1 1 109 109 LEU N N 109 115.664 115.664 118.186 -2.522 18504 6888 1 14 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.273 0.579 18504 6889 1 14 . 1 1 109 109 LEU C C 109 178.510 178.510 178.030 0.480 18504 6890 1 14 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.201 -1.047 18504 6891 1 14 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.969 1.179 18504 6892 1 14 . 1 1 109 109 LEU H H 109 8.380 8.380 7.127 1.253 18504 6893 1 14 . 1 1 110 110 HIS N N 110 118.905 118.905 117.858 1.047 18504 6894 1 14 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.363 -0.453 18504 6895 1 14 . 1 1 110 110 HIS C C 110 176.152 176.152 177.303 -1.151 18504 6896 1 14 . 1 1 110 110 HIS CA C 110 61.012 61.012 56.881 4.131 18504 6897 1 14 . 1 1 110 110 HIS CB C 110 28.112 28.112 30.233 -2.120 18504 6898 1 14 . 1 1 110 110 HIS H H 110 8.518 8.518 8.483 0.035 18504 6899 1 14 . 1 1 111 111 GLU N N 111 117.923 117.923 119.498 -1.575 18504 6900 1 14 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.063 -0.332 18504 6901 1 14 . 1 1 111 111 GLU C C 111 176.596 176.596 176.975 -0.379 18504 6902 1 14 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.839 -0.445 18504 6903 1 14 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.633 -0.589 18504 6904 1 14 . 1 1 111 111 GLU H H 111 8.018 8.018 8.597 -0.579 18504 6905 1 14 . 1 1 112 112 TYR N N 112 114.607 114.607 114.042 0.565 18504 6906 1 14 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.484 -0.047 18504 6907 1 14 . 1 1 112 112 TYR C C 112 174.448 174.448 175.171 -0.723 18504 6908 1 14 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.047 -1.275 18504 6909 1 14 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.930 -0.943 18504 6910 1 14 . 1 1 112 112 TYR H H 112 7.905 7.905 7.569 0.336 18504 6911 1 14 . 1 1 113 113 VAL N N 113 118.003 118.003 123.099 -5.096 18504 6912 1 14 . 1 1 113 113 VAL HA H 113 4.106 4.106 4.045 0.061 18504 6913 1 14 . 1 1 113 113 VAL C C 113 175.134 175.134 175.461 -0.327 18504 6914 1 14 . 1 1 113 113 VAL CA C 113 62.687 62.687 62.873 -0.186 18504 6915 1 14 . 1 1 113 113 VAL CB C 113 34.228 34.228 30.802 3.426 18504 6916 1 14 . 1 1 113 113 VAL H H 113 6.976 6.976 8.345 -1.369 18504 6917 1 15 . 1 1 27 27 SER HA H 27 4.339 4.339 4.842 -0.503 18504 6918 1 15 . 1 1 27 27 SER C C 27 175.743 175.743 171.875 3.868 18504 6919 1 15 . 1 1 27 27 SER CA C 27 60.497 60.497 58.506 1.991 18504 6920 1 15 . 1 1 27 27 SER CB C 27 63.659 63.659 65.396 -1.737 18504 6921 1 15 . 1 1 28 28 LYS N N 28 118.099 118.099 118.561 -0.462 18504 6922 1 15 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.490 0.728 18504 6923 1 15 . 1 1 28 28 LYS C C 28 175.699 175.699 174.880 0.819 18504 6924 1 15 . 1 1 28 28 LYS CA C 28 55.545 55.545 56.550 -1.005 18504 6925 1 15 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.603 1.310 18504 6926 1 15 . 1 1 28 28 LYS H H 28 7.785 7.785 8.352 -0.567 18504 6927 1 15 . 1 1 29 29 GLN N N 29 122.481 122.481 123.014 -0.533 18504 6928 1 15 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.492 0.246 18504 6929 1 15 . 1 1 29 29 GLN C C 29 174.277 174.277 174.081 0.196 18504 6930 1 15 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.626 0.900 18504 6931 1 15 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.374 0.496 18504 6932 1 15 . 1 1 29 29 GLN H H 29 9.283 9.283 8.371 0.912 18504 6933 1 15 . 1 1 30 30 GLU N N 30 122.881 122.881 121.309 1.572 18504 6934 1 15 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.760 -0.484 18504 6935 1 15 . 1 1 30 30 GLU C C 30 173.313 173.313 175.407 -2.094 18504 6936 1 15 . 1 1 30 30 GLU CA C 30 55.954 55.954 55.079 0.875 18504 6937 1 15 . 1 1 30 30 GLU CB C 30 31.054 31.054 29.805 1.249 18504 6938 1 15 . 1 1 30 30 GLU H H 30 9.188 9.188 8.173 1.015 18504 6939 1 15 . 1 1 31 31 LEU N N 31 130.328 130.328 125.952 4.376 18504 6940 1 15 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.670 -0.377 18504 6941 1 15 . 1 1 31 31 LEU C C 31 171.909 171.909 176.328 -4.419 18504 6942 1 15 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.980 -0.699 18504 6943 1 15 . 1 1 31 31 LEU CB C 31 42.450 42.450 43.786 -1.336 18504 6944 1 15 . 1 1 31 31 LEU H H 31 9.016 9.016 8.131 0.885 18504 6945 1 15 . 1 1 32 32 ILE N N 32 120.632 120.632 117.895 2.737 18504 6946 1 15 . 1 1 32 32 ILE HA H 32 5.528 5.528 5.187 0.341 18504 6947 1 15 . 1 1 32 32 ILE C C 32 175.735 175.735 174.625 1.110 18504 6948 1 15 . 1 1 32 32 ILE CA C 32 59.224 59.224 59.159 0.065 18504 6949 1 15 . 1 1 32 32 ILE CB C 32 36.625 36.625 40.248 -3.623 18504 6950 1 15 . 1 1 32 32 ILE H H 32 8.738 8.738 8.097 0.641 18504 6951 1 15 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.656 -0.659 18504 6952 1 15 . 1 1 33 33 LEU C C 33 180.030 180.030 174.589 5.441 18504 6953 1 15 . 1 1 33 33 LEU CA C 33 58.333 58.333 52.912 5.421 18504 6954 1 15 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.892 -4.459 18504 6955 1 15 . 1 1 34 34 VAL N N 34 124.025 124.025 124.331 -0.306 18504 6956 1 15 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.067 -0.450 18504 6957 1 15 . 1 1 34 34 VAL C C 34 178.222 178.222 175.683 2.539 18504 6958 1 15 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.178 4.944 18504 6959 1 15 . 1 1 34 34 VAL CB C 34 37.942 37.942 32.614 5.328 18504 6960 1 15 . 1 1 34 34 VAL H H 34 7.751 7.751 8.245 -0.494 18504 6961 1 15 . 1 1 35 35 LEU N N 35 120.009 120.009 130.201 -10.192 18504 6962 1 15 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.410 -0.134 18504 6963 1 15 . 1 1 35 35 LEU C C 35 175.855 175.855 175.374 0.481 18504 6964 1 15 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.919 3.456 18504 6965 1 15 . 1 1 35 35 LEU CB C 35 43.089 43.089 40.889 2.200 18504 6966 1 15 . 1 1 35 35 LEU H H 35 7.532 7.532 8.179 -0.647 18504 6967 1 15 . 1 1 36 36 LYS N N 36 115.805 115.805 121.819 -6.014 18504 6968 1 15 . 1 1 36 36 LYS C C 36 178.903 178.903 177.092 1.811 18504 6969 1 15 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.816 1.531 18504 6970 1 15 . 1 1 36 36 LYS CB C 36 32.903 32.903 32.935 -0.032 18504 6971 1 15 . 1 1 36 36 LYS H H 36 7.501 7.501 7.634 -0.133 18504 6972 1 15 . 1 1 37 37 GLY N N 37 110.626 110.626 112.760 -2.134 18504 6973 1 15 . 1 1 37 37 GLY C C 37 174.865 174.865 172.262 2.603 18504 6974 1 15 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.035 2.431 18504 6975 1 15 . 1 1 37 37 GLY H H 37 8.811 8.811 8.557 0.254 18504 6976 1 15 . 1 1 38 38 GLU N N 38 116.098 116.098 118.852 -2.754 18504 6977 1 15 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.649 -0.347 18504 6978 1 15 . 1 1 38 38 GLU C C 38 176.681 176.681 174.995 1.686 18504 6979 1 15 . 1 1 38 38 GLU CA C 38 57.184 57.184 55.970 1.214 18504 6980 1 15 . 1 1 38 38 GLU CB C 38 28.829 28.829 32.310 -3.481 18504 6981 1 15 . 1 1 38 38 GLU H H 38 8.763 8.763 8.155 0.608 18504 6982 1 15 . 1 1 39 39 LEU N N 39 119.439 119.439 126.819 -7.380 18504 6983 1 15 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.649 -0.383 18504 6984 1 15 . 1 1 39 39 LEU C C 39 176.016 176.016 176.000 0.016 18504 6985 1 15 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.596 -0.872 18504 6986 1 15 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.594 1.008 18504 6987 1 15 . 1 1 39 39 LEU H H 39 7.167 7.167 8.421 -1.254 18504 6988 1 15 . 1 1 40 40 ASP N N 40 120.105 120.105 119.945 0.160 18504 6989 1 15 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.751 -0.023 18504 6990 1 15 . 1 1 40 40 ASP C C 40 178.198 178.198 174.524 3.674 18504 6991 1 15 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.761 -2.571 18504 6992 1 15 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.441 -0.883 18504 6993 1 15 . 1 1 40 40 ASP H H 40 8.596 8.596 8.346 0.250 18504 6994 1 15 . 1 1 41 41 LEU N N 41 125.023 125.023 117.512 7.511 18504 6995 1 15 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.834 -1.081 18504 6996 1 15 . 1 1 41 41 LEU C C 41 175.113 175.113 174.833 0.280 18504 6997 1 15 . 1 1 41 41 LEU CA C 41 56.667 56.667 54.349 2.317 18504 6998 1 15 . 1 1 41 41 LEU CB C 41 39.849 39.849 43.802 -3.953 18504 6999 1 15 . 1 1 41 41 LEU H H 41 9.029 9.029 7.681 1.348 18504 7000 1 15 . 1 1 42 42 HIS N N 42 113.184 113.184 114.663 -1.479 18504 7001 1 15 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.749 -0.225 18504 7002 1 15 . 1 1 42 42 HIS C C 42 175.855 175.855 174.193 1.662 18504 7003 1 15 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.749 0.167 18504 7004 1 15 . 1 1 42 42 HIS CB C 42 30.137 30.137 29.953 0.184 18504 7005 1 15 . 1 1 42 42 HIS H H 42 8.065 8.065 8.220 -0.155 18504 7006 1 15 . 1 1 43 43 SER N N 43 116.013 116.013 117.251 -1.238 18504 7007 1 15 . 1 1 43 43 SER HA H 43 4.524 4.524 4.432 0.092 18504 7008 1 15 . 1 1 43 43 SER C C 43 174.426 174.426 174.740 -0.314 18504 7009 1 15 . 1 1 43 43 SER CA C 43 58.206 58.206 58.267 -0.061 18504 7010 1 15 . 1 1 43 43 SER CB C 43 65.517 65.517 63.253 2.264 18504 7011 1 15 . 1 1 43 43 SER H H 43 7.511 7.511 8.396 -0.885 18504 7012 1 15 . 1 1 44 44 LYS N N 44 123.332 123.332 122.243 1.089 18504 7013 1 15 . 1 1 44 44 LYS C C 44 177.791 177.791 178.057 -0.266 18504 7014 1 15 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.374 1.082 18504 7015 1 15 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.475 -2.303 18504 7016 1 15 . 1 1 44 44 LYS H H 44 8.846 8.846 8.564 0.282 18504 7017 1 15 . 1 1 45 45 ASN N N 45 118.501 118.501 117.568 0.933 18504 7018 1 15 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.419 0.051 18504 7019 1 15 . 1 1 45 45 ASN C C 45 177.817 177.817 177.528 0.289 18504 7020 1 15 . 1 1 45 45 ASN CA C 45 56.928 56.928 57.307 -0.379 18504 7021 1 15 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.932 0.472 18504 7022 1 15 . 1 1 45 45 ASN H H 45 8.545 8.545 8.573 -0.028 18504 7023 1 15 . 1 1 46 46 MET N N 46 116.171 116.171 115.849 0.322 18504 7024 1 15 . 1 1 46 46 MET HA H 46 4.471 4.471 4.206 0.265 18504 7025 1 15 . 1 1 46 46 MET C C 46 178.964 178.964 177.574 1.390 18504 7026 1 15 . 1 1 46 46 MET CA C 46 55.467 55.467 59.068 -3.601 18504 7027 1 15 . 1 1 46 46 MET CB C 46 29.707 29.707 32.088 -2.381 18504 7028 1 15 . 1 1 46 46 MET H H 46 7.379 7.379 8.150 -0.771 18504 7029 1 15 . 1 1 47 47 LYS N N 47 121.054 121.054 118.460 2.594 18504 7030 1 15 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.989 -0.105 18504 7031 1 15 . 1 1 47 47 LYS C C 47 179.310 179.310 179.236 0.074 18504 7032 1 15 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.202 1.137 18504 7033 1 15 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.693 0.057 18504 7034 1 15 . 1 1 47 47 LYS H H 47 8.450 8.450 7.703 0.747 18504 7035 1 15 . 1 1 48 48 ASN N N 48 117.137 117.137 118.845 -1.708 18504 7036 1 15 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.518 -0.637 18504 7037 1 15 . 1 1 48 48 ASN C C 48 177.733 177.733 177.516 0.217 18504 7038 1 15 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.429 0.111 18504 7039 1 15 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.566 -0.233 18504 7040 1 15 . 1 1 48 48 ASN H H 48 7.896 7.896 7.741 0.155 18504 7041 1 15 . 1 1 49 49 VAL N N 49 121.225 121.225 120.580 0.645 18504 7042 1 15 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.611 0.068 18504 7043 1 15 . 1 1 49 49 VAL C C 49 176.675 176.675 177.567 -0.892 18504 7044 1 15 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.232 0.202 18504 7045 1 15 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.149 0.920 18504 7046 1 15 . 1 1 49 49 VAL H H 49 7.869 7.869 7.817 0.052 18504 7047 1 15 . 1 1 50 50 ILE N N 50 120.523 120.523 119.440 1.083 18504 7048 1 15 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.274 0.976 18504 7049 1 15 . 1 1 50 50 ILE C C 50 179.831 179.831 177.449 2.382 18504 7050 1 15 . 1 1 50 50 ILE CA C 50 57.940 57.940 65.129 -7.189 18504 7051 1 15 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.620 2.493 18504 7052 1 15 . 1 1 50 50 ILE H H 50 8.093 8.093 7.471 0.622 18504 7053 1 15 . 1 1 51 51 ASN N N 51 117.280 117.280 118.269 -0.989 18504 7054 1 15 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.419 -0.400 18504 7055 1 15 . 1 1 51 51 ASN C C 51 178.496 178.496 177.461 1.035 18504 7056 1 15 . 1 1 51 51 ASN CA C 51 56.612 56.612 57.045 -0.433 18504 7057 1 15 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.198 0.157 18504 7058 1 15 . 1 1 51 51 ASN H H 51 7.953 7.953 7.911 0.042 18504 7059 1 15 . 1 1 52 52 ASN N N 52 118.893 118.893 119.649 -0.756 18504 7060 1 15 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.413 0.002 18504 7061 1 15 . 1 1 52 52 ASN C C 52 176.434 176.434 177.020 -0.586 18504 7062 1 15 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.993 -0.223 18504 7063 1 15 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.560 -0.207 18504 7064 1 15 . 1 1 52 52 ASN H H 52 8.347 8.347 8.432 -0.085 18504 7065 1 15 . 1 1 53 53 ALA N N 53 122.291 122.291 122.001 0.290 18504 7066 1 15 . 1 1 53 53 ALA HA H 53 4.514 4.514 3.987 0.527 18504 7067 1 15 . 1 1 53 53 ALA C C 53 180.689 180.689 179.330 1.359 18504 7068 1 15 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.151 -0.251 18504 7069 1 15 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.323 -0.422 18504 7070 1 15 . 1 1 53 53 ALA H H 53 7.706 7.706 8.667 -0.961 18504 7071 1 15 . 1 1 54 54 LYS N N 54 119.091 119.091 118.603 0.488 18504 7072 1 15 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.083 -0.246 18504 7073 1 15 . 1 1 54 54 LYS C C 54 178.066 178.066 178.526 -0.460 18504 7074 1 15 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.381 0.925 18504 7075 1 15 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.456 -0.368 18504 7076 1 15 . 1 1 54 54 LYS H H 54 8.375 8.375 7.502 0.873 18504 7077 1 15 . 1 1 55 55 LYS N N 55 119.370 119.370 119.731 -0.361 18504 7078 1 15 . 1 1 55 55 LYS HA H 55 3.873 3.873 4.122 -0.249 18504 7079 1 15 . 1 1 55 55 LYS C C 55 179.819 179.819 179.119 0.700 18504 7080 1 15 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.283 1.003 18504 7081 1 15 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.362 -0.372 18504 7082 1 15 . 1 1 55 55 LYS H H 55 8.259 8.259 8.232 0.027 18504 7083 1 15 . 1 1 56 56 ASN N N 56 119.303 119.303 118.067 1.236 18504 7084 1 15 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.263 0.146 18504 7085 1 15 . 1 1 56 56 ASN C C 56 178.899 178.899 177.323 1.576 18504 7086 1 15 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.691 0.049 18504 7087 1 15 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.183 -1.080 18504 7088 1 15 . 1 1 56 56 ASN H H 56 8.235 8.235 8.238 -0.003 18504 7089 1 15 . 1 1 57 57 LEU N N 57 123.252 123.252 120.728 2.524 18504 7090 1 15 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.273 0.409 18504 7091 1 15 . 1 1 57 57 LEU C C 57 178.541 178.541 178.864 -0.323 18504 7092 1 15 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.776 -0.577 18504 7093 1 15 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.971 0.655 18504 7094 1 15 . 1 1 57 57 LEU H H 57 8.210 8.210 7.777 0.433 18504 7095 1 15 . 1 1 58 58 GLU N N 58 118.795 118.795 117.060 1.735 18504 7096 1 15 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.886 0.117 18504 7097 1 15 . 1 1 58 58 GLU C C 58 177.333 177.333 178.463 -1.130 18504 7098 1 15 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.157 1.988 18504 7099 1 15 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.770 1.542 18504 7100 1 15 . 1 1 58 58 GLU H H 58 8.846 8.846 8.046 0.800 18504 7101 1 15 . 1 1 59 59 LYS N N 59 118.325 118.325 120.161 -1.836 18504 7102 1 15 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.932 0.543 18504 7103 1 15 . 1 1 59 59 LYS C C 59 178.428 178.428 178.736 -0.308 18504 7104 1 15 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.296 0.849 18504 7105 1 15 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.076 0.612 18504 7106 1 15 . 1 1 59 59 LYS H H 59 8.373 8.373 7.441 0.932 18504 7107 1 15 . 1 1 60 60 TYR N N 60 119.345 119.345 117.551 1.794 18504 7108 1 15 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.642 -0.315 18504 7109 1 15 . 1 1 60 60 TYR C C 60 178.899 178.899 179.026 -0.127 18504 7110 1 15 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.463 2.931 18504 7111 1 15 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.309 -0.015 18504 7112 1 15 . 1 1 60 60 TYR H H 60 7.532 7.532 7.286 0.246 18504 7113 1 15 . 1 1 61 61 PHE N N 61 118.931 118.931 120.487 -1.556 18504 7114 1 15 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.249 0.079 18504 7115 1 15 . 1 1 61 61 PHE C C 61 178.450 178.450 177.670 0.780 18504 7116 1 15 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.032 1.362 18504 7117 1 15 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.291 -1.368 18504 7118 1 15 . 1 1 61 61 PHE H H 61 8.607 8.607 8.013 0.594 18504 7119 1 15 . 1 1 62 62 LYS N N 62 118.337 118.337 119.086 -0.749 18504 7120 1 15 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.309 -0.007 18504 7121 1 15 . 1 1 62 62 LYS C C 62 178.333 178.333 177.564 0.769 18504 7122 1 15 . 1 1 62 62 LYS CA C 62 59.311 59.311 59.114 0.197 18504 7123 1 15 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.722 0.127 18504 7124 1 15 . 1 1 62 62 LYS H H 62 8.615 8.615 8.695 -0.080 18504 7125 1 15 . 1 1 63 63 GLU N N 63 116.360 116.360 117.213 -0.853 18504 7126 1 15 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.211 -0.285 18504 7127 1 15 . 1 1 63 63 GLU C C 63 177.317 177.317 177.582 -0.265 18504 7128 1 15 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.886 0.430 18504 7129 1 15 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.608 -1.252 18504 7130 1 15 . 1 1 63 63 GLU H H 63 7.547 7.547 7.915 -0.368 18504 7131 1 15 . 1 1 64 64 HIS N N 64 113.580 113.580 116.576 -2.996 18504 7132 1 15 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.671 -0.250 18504 7133 1 15 . 1 1 64 64 HIS C C 64 173.911 173.911 174.637 -0.726 18504 7134 1 15 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.401 2.681 18504 7135 1 15 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.322 1.513 18504 7136 1 15 . 1 1 64 64 HIS H H 64 7.013 7.013 7.701 -0.688 18504 7137 1 15 . 1 1 65 65 PHE N N 65 119.434 119.434 116.488 2.946 18504 7138 1 15 . 1 1 65 65 PHE HA H 65 4.936 4.936 3.901 1.035 18504 7139 1 15 . 1 1 65 65 PHE C C 65 175.232 175.232 173.936 1.296 18504 7140 1 15 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.257 -2.034 18504 7141 1 15 . 1 1 65 65 PHE CB C 65 40.362 40.362 36.959 3.403 18504 7142 1 15 . 1 1 65 65 PHE H H 65 8.340 8.340 7.659 0.681 18504 7143 1 15 . 1 1 66 66 LYS N N 66 123.217 123.217 119.997 3.220 18504 7144 1 15 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.453 -0.165 18504 7145 1 15 . 1 1 66 66 LYS C C 66 177.685 177.685 175.826 1.859 18504 7146 1 15 . 1 1 66 66 LYS CA C 66 58.798 58.798 55.330 3.468 18504 7147 1 15 . 1 1 66 66 LYS CB C 66 32.473 32.473 33.486 -1.014 18504 7148 1 15 . 1 1 66 66 LYS H H 66 8.590 8.590 7.867 0.723 18504 7149 1 15 . 1 1 67 67 GLU N N 67 117.085 117.085 120.829 -3.744 18504 7150 1 15 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.560 -0.199 18504 7151 1 15 . 1 1 67 67 GLU C C 67 175.770 175.770 176.239 -0.469 18504 7152 1 15 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.526 -0.162 18504 7153 1 15 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.101 -0.998 18504 7154 1 15 . 1 1 67 67 GLU H H 67 8.969 8.969 8.637 0.332 18504 7155 1 15 . 1 1 68 68 PHE N N 68 121.127 121.127 121.265 -0.138 18504 7156 1 15 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.351 -0.079 18504 7157 1 15 . 1 1 68 68 PHE C C 68 173.621 173.621 174.660 -1.039 18504 7158 1 15 . 1 1 68 68 PHE CA C 68 59.096 59.096 59.373 -0.277 18504 7159 1 15 . 1 1 68 68 PHE CB C 68 40.772 40.772 38.279 2.493 18504 7160 1 15 . 1 1 68 68 PHE H H 68 7.752 7.752 8.033 -0.281 18504 7161 1 15 . 1 1 69 69 ASP N N 69 125.720 125.720 124.160 1.560 18504 7162 1 15 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.767 -0.164 18504 7163 1 15 . 1 1 69 69 ASP C C 69 173.387 173.387 174.568 -1.181 18504 7164 1 15 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.164 0.717 18504 7165 1 15 . 1 1 69 69 ASP CB C 69 41.806 41.806 43.182 -1.376 18504 7166 1 15 . 1 1 69 69 ASP H H 69 7.767 7.767 8.147 -0.380 18504 7167 1 15 . 1 1 70 70 LYS N N 70 115.004 115.004 123.136 -8.132 18504 7168 1 15 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.688 -0.239 18504 7169 1 15 . 1 1 70 70 LYS C C 70 175.841 175.841 175.088 0.753 18504 7170 1 15 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.249 1.237 18504 7171 1 15 . 1 1 70 70 LYS CB C 70 34.781 34.781 34.780 0.001 18504 7172 1 15 . 1 1 70 70 LYS H H 70 7.305 7.305 8.286 -0.981 18504 7173 1 15 . 1 1 71 71 ILE N N 71 122.809 122.809 118.576 4.233 18504 7174 1 15 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.353 0.356 18504 7175 1 15 . 1 1 71 71 ILE C C 71 175.120 175.120 174.446 0.674 18504 7176 1 15 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.522 -1.270 18504 7177 1 15 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.266 -1.964 18504 7178 1 15 . 1 1 71 71 ILE H H 71 9.522 9.522 8.283 1.239 18504 7179 1 15 . 1 1 72 72 SER N N 72 121.741 121.741 121.752 -0.011 18504 7180 1 15 . 1 1 72 72 SER HA H 72 4.920 4.920 4.928 -0.008 18504 7181 1 15 . 1 1 72 72 SER C C 72 172.157 172.157 172.768 -0.611 18504 7182 1 15 . 1 1 72 72 SER CA C 72 57.730 57.730 57.470 0.260 18504 7183 1 15 . 1 1 72 72 SER CB C 72 65.634 65.634 64.672 0.962 18504 7184 1 15 . 1 1 72 72 SER H H 72 8.760 8.760 8.252 0.508 18504 7185 1 15 . 1 1 73 73 TYR N N 73 118.245 118.245 122.226 -3.981 18504 7186 1 15 . 1 1 73 73 TYR HA H 73 5.721 5.721 5.059 0.662 18504 7187 1 15 . 1 1 73 73 TYR C C 73 173.231 173.231 173.605 -0.374 18504 7188 1 15 . 1 1 73 73 TYR CA C 73 56.230 56.230 55.813 0.417 18504 7189 1 15 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.285 1.098 18504 7190 1 15 . 1 1 73 73 TYR H H 73 8.275 8.275 8.625 -0.350 18504 7191 1 15 . 1 1 74 74 ASP N N 74 120.379 120.379 120.616 -0.237 18504 7192 1 15 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.613 0.442 18504 7193 1 15 . 1 1 74 74 ASP C C 74 174.827 174.827 173.847 0.980 18504 7194 1 15 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.190 0.411 18504 7195 1 15 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.406 1.234 18504 7196 1 15 . 1 1 74 74 ASP H H 74 9.332 9.332 8.320 1.012 18504 7197 1 15 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.437 0.147 18504 7198 1 15 . 1 1 75 75 ILE C C 75 177.411 177.411 175.261 2.150 18504 7199 1 15 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.510 -1.300 18504 7200 1 15 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.846 -0.078 18504 7201 1 15 . 1 1 75 75 ILE H H 75 7.501 7.501 8.328 -0.827 18504 7202 1 15 . 1 1 76 76 SER N N 76 117.836 117.836 119.980 -2.144 18504 7203 1 15 . 1 1 76 76 SER HA H 76 5.450 5.450 4.825 0.625 18504 7204 1 15 . 1 1 76 76 SER C C 76 173.767 173.767 172.453 1.314 18504 7205 1 15 . 1 1 76 76 SER CA C 76 57.758 57.758 57.706 0.052 18504 7206 1 15 . 1 1 76 76 SER CB C 76 64.462 64.462 65.503 -1.041 18504 7207 1 15 . 1 1 76 76 SER H H 76 9.050 9.050 8.670 0.380 18504 7208 1 15 . 1 1 77 77 THR N N 77 117.435 117.435 115.959 1.476 18504 7209 1 15 . 1 1 77 77 THR HA H 77 4.959 4.959 4.181 0.778 18504 7210 1 15 . 1 1 77 77 THR C C 77 172.636 172.636 173.521 -0.885 18504 7211 1 15 . 1 1 77 77 THR CA C 77 58.870 58.870 62.961 -4.090 18504 7212 1 15 . 1 1 77 77 THR CB C 77 69.935 69.935 67.880 2.055 18504 7213 1 15 . 1 1 77 77 THR H H 77 8.601 8.601 8.458 0.143 18504 7214 1 15 . 1 1 78 78 PRO C C 78 179.328 179.328 177.154 2.174 18504 7215 1 15 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.260 -0.777 18504 7216 1 15 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.806 0.355 18504 7217 1 15 . 1 1 79 79 ILE N N 79 120.707 120.707 116.120 4.587 18504 7218 1 15 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.151 0.470 18504 7219 1 15 . 1 1 79 79 ILE C C 79 177.212 177.212 175.009 2.203 18504 7220 1 15 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.945 4.976 18504 7221 1 15 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.073 0.395 18504 7222 1 15 . 1 1 79 79 ILE H H 79 8.227 8.227 7.501 0.726 18504 7223 1 15 . 1 1 80 80 ASN N N 80 118.168 118.168 117.249 0.919 18504 7224 1 15 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.466 -0.036 18504 7225 1 15 . 1 1 80 80 ASN C C 80 178.172 178.172 173.439 4.733 18504 7226 1 15 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.411 2.352 18504 7227 1 15 . 1 1 80 80 ASN CB C 80 38.087 38.087 36.812 1.275 18504 7228 1 15 . 1 1 80 80 ASN H H 80 8.466 8.466 7.848 0.618 18504 7229 1 15 . 1 1 81 81 PHE N N 81 129.059 129.059 119.950 9.109 18504 7230 1 15 . 1 1 81 81 PHE C C 81 174.016 174.016 173.868 0.148 18504 7231 1 15 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.727 -1.907 18504 7232 1 15 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.883 -3.110 18504 7233 1 15 . 1 1 81 81 PHE H H 81 9.152 9.152 7.912 1.240 18504 7234 1 15 . 1 1 82 82 LEU N N 82 124.640 124.640 127.503 -2.863 18504 7235 1 15 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.662 0.331 18504 7236 1 15 . 1 1 82 82 LEU C C 82 173.695 173.695 175.444 -1.749 18504 7237 1 15 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.976 -0.226 18504 7238 1 15 . 1 1 82 82 LEU CB C 82 44.936 44.936 44.097 0.839 18504 7239 1 15 . 1 1 82 82 LEU H H 82 9.147 9.147 8.188 0.959 18504 7240 1 15 . 1 1 83 83 CYS N N 83 126.066 126.066 125.027 1.039 18504 7241 1 15 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.969 0.269 18504 7242 1 15 . 1 1 83 83 CYS C C 83 173.733 173.733 173.671 0.062 18504 7243 1 15 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.101 -0.740 18504 7244 1 15 . 1 1 83 83 CYS CB C 83 28.374 28.374 28.143 0.231 18504 7245 1 15 . 1 1 83 83 CYS H H 83 9.065 9.065 8.475 0.590 18504 7246 1 15 . 1 1 84 84 ILE N N 84 126.110 126.110 124.665 1.445 18504 7247 1 15 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.514 -0.155 18504 7248 1 15 . 1 1 84 84 ILE C C 84 174.745 174.745 174.071 0.674 18504 7249 1 15 . 1 1 84 84 ILE CA C 84 60.519 60.519 59.450 1.069 18504 7250 1 15 . 1 1 84 84 ILE CB C 84 40.358 40.358 38.476 1.882 18504 7251 1 15 . 1 1 84 84 ILE H H 84 9.426 9.426 8.435 0.991 18504 7252 1 15 . 1 1 85 85 PHE N N 85 126.315 126.315 128.157 -1.842 18504 7253 1 15 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.765 0.254 18504 7254 1 15 . 1 1 85 85 PHE C C 85 175.358 175.358 174.738 0.620 18504 7255 1 15 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.639 1.092 18504 7256 1 15 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.706 -1.964 18504 7257 1 15 . 1 1 85 85 PHE H H 85 8.337 8.337 9.064 -0.727 18504 7258 1 15 . 1 1 86 86 ILE N N 86 126.561 126.561 126.872 -0.311 18504 7259 1 15 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.683 0.221 18504 7260 1 15 . 1 1 86 86 ILE C C 86 173.967 173.967 173.512 0.455 18504 7261 1 15 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.743 -2.357 18504 7262 1 15 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.096 -1.285 18504 7263 1 15 . 1 1 86 86 ILE H H 86 9.161 9.161 8.048 1.113 18504 7264 1 15 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.843 0.179 18504 7265 1 15 . 1 1 87 87 PRO C C 87 177.938 177.938 175.735 2.203 18504 7266 1 15 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.430 0.078 18504 7267 1 15 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.828 0.706 18504 7268 1 15 . 1 1 88 88 THR N N 88 113.282 113.282 116.730 -3.448 18504 7269 1 15 . 1 1 88 88 THR HA H 88 4.486 4.486 4.685 -0.199 18504 7270 1 15 . 1 1 88 88 THR C C 88 176.082 176.082 172.514 3.568 18504 7271 1 15 . 1 1 88 88 THR CA C 88 60.306 60.306 59.990 0.316 18504 7272 1 15 . 1 1 88 88 THR CB C 88 66.727 66.727 71.044 -4.317 18504 7273 1 15 . 1 1 88 88 THR H H 88 8.003 8.003 8.009 -0.006 18504 7274 1 15 . 1 1 89 89 LEU N N 89 122.317 122.317 123.032 -0.715 18504 7275 1 15 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.715 -0.706 18504 7276 1 15 . 1 1 89 89 LEU C C 89 175.776 175.776 175.985 -0.209 18504 7277 1 15 . 1 1 89 89 LEU CA C 89 53.969 53.969 53.290 0.679 18504 7278 1 15 . 1 1 89 89 LEU CB C 89 41.996 41.996 41.392 0.604 18504 7279 1 15 . 1 1 89 89 LEU H H 89 7.822 7.822 8.669 -0.847 18504 7280 1 15 . 1 1 90 90 PHE N N 90 114.801 114.801 120.909 -6.108 18504 7281 1 15 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.426 1.134 18504 7282 1 15 . 1 1 90 90 PHE C C 90 175.869 175.869 175.265 0.604 18504 7283 1 15 . 1 1 90 90 PHE CA C 90 55.096 55.096 57.756 -2.660 18504 7284 1 15 . 1 1 90 90 PHE CB C 90 40.107 40.107 37.914 2.193 18504 7285 1 15 . 1 1 90 90 PHE H H 90 7.110 7.110 8.807 -1.697 18504 7286 1 15 . 1 1 91 91 ASP N N 91 127.244 127.244 125.141 2.103 18504 7287 1 15 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.383 0.174 18504 7288 1 15 . 1 1 91 91 ASP C C 91 175.684 175.684 175.265 0.419 18504 7289 1 15 . 1 1 91 91 ASP CA C 91 52.969 52.969 55.102 -2.133 18504 7290 1 15 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.248 0.968 18504 7291 1 15 . 1 1 91 91 ASP H H 91 9.852 9.852 8.475 1.377 18504 7292 1 15 . 1 1 92 92 MET N N 92 113.730 113.730 118.478 -4.748 18504 7293 1 15 . 1 1 92 92 MET HA H 92 4.278 4.278 4.181 0.097 18504 7294 1 15 . 1 1 92 92 MET C C 92 177.571 177.571 177.522 0.049 18504 7295 1 15 . 1 1 92 92 MET CA C 92 58.815 58.815 57.807 1.008 18504 7296 1 15 . 1 1 92 92 MET CB C 92 32.010 32.010 33.173 -1.163 18504 7297 1 15 . 1 1 92 92 MET H H 92 8.574 8.574 7.557 1.017 18504 7298 1 15 . 1 1 93 93 ASN N N 93 115.175 115.175 116.826 -1.651 18504 7299 1 15 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.459 0.290 18504 7300 1 15 . 1 1 93 93 ASN C C 93 176.300 176.300 175.751 0.549 18504 7301 1 15 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.488 0.705 18504 7302 1 15 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.665 0.761 18504 7303 1 15 . 1 1 93 93 ASN H H 93 8.576 8.576 8.171 0.405 18504 7304 1 15 . 1 1 94 94 ASN N N 94 119.005 119.005 115.243 3.762 18504 7305 1 15 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.458 0.733 18504 7306 1 15 . 1 1 94 94 ASN C C 94 177.230 177.230 173.939 3.291 18504 7307 1 15 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.668 -2.037 18504 7308 1 15 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.386 0.707 18504 7309 1 15 . 1 1 94 94 ASN H H 94 8.049 8.049 8.584 -0.535 18504 7310 1 15 . 1 1 95 95 MET N N 95 117.771 117.771 114.932 2.839 18504 7311 1 15 . 1 1 95 95 MET HA H 95 4.048 4.048 4.572 -0.524 18504 7312 1 15 . 1 1 95 95 MET C C 95 178.005 178.005 174.210 3.795 18504 7313 1 15 . 1 1 95 95 MET CA C 95 58.275 58.275 54.154 4.121 18504 7314 1 15 . 1 1 95 95 MET CB C 95 32.327 32.327 33.723 -1.396 18504 7315 1 15 . 1 1 95 95 MET H H 95 7.489 7.489 7.715 -0.226 18504 7316 1 15 . 1 1 96 96 ASP N N 96 115.629 115.629 122.855 -7.226 18504 7317 1 15 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.456 0.147 18504 7318 1 15 . 1 1 96 96 ASP C C 96 175.593 175.593 175.632 -0.039 18504 7319 1 15 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.866 0.074 18504 7320 1 15 . 1 1 96 96 ASP CB C 96 39.445 39.445 40.512 -1.067 18504 7321 1 15 . 1 1 96 96 ASP H H 96 7.777 7.777 8.310 -0.533 18504 7322 1 15 . 1 1 97 97 LEU N N 97 116.343 116.343 127.480 -11.137 18504 7323 1 15 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.619 -0.002 18504 7324 1 15 . 1 1 97 97 LEU C C 97 174.835 174.835 177.242 -2.407 18504 7325 1 15 . 1 1 97 97 LEU CA C 97 54.433 54.433 53.675 0.758 18504 7326 1 15 . 1 1 97 97 LEU CB C 97 39.082 39.082 40.788 -1.706 18504 7327 1 15 . 1 1 97 97 LEU H H 97 8.027 8.027 8.302 -0.275 18504 7328 1 15 . 1 1 98 98 LEU N N 98 118.769 118.769 122.354 -3.585 18504 7329 1 15 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.304 -0.940 18504 7330 1 15 . 1 1 98 98 LEU C C 98 177.586 177.586 178.029 -0.443 18504 7331 1 15 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.664 0.555 18504 7332 1 15 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.528 -2.428 18504 7333 1 15 . 1 1 98 98 LEU H H 98 7.798 7.798 7.843 -0.045 18504 7334 1 15 . 1 1 99 99 LYS N N 99 117.567 117.567 119.071 -1.504 18504 7335 1 15 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.920 -0.504 18504 7336 1 15 . 1 1 99 99 LYS C C 99 177.639 177.639 178.340 -0.701 18504 7337 1 15 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.055 1.778 18504 7338 1 15 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.762 0.282 18504 7339 1 15 . 1 1 99 99 LYS H H 99 7.603 7.603 8.349 -0.746 18504 7340 1 15 . 1 1 100 100 GLN N N 100 114.564 114.564 118.349 -3.785 18504 7341 1 15 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.073 -0.261 18504 7342 1 15 . 1 1 100 100 GLN C C 100 178.165 178.165 177.953 0.212 18504 7343 1 15 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.873 -0.089 18504 7344 1 15 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.461 -0.978 18504 7345 1 15 . 1 1 100 100 GLN H H 100 7.625 7.625 7.617 0.008 18504 7346 1 15 . 1 1 101 101 ALA N N 101 121.499 121.499 123.333 -1.834 18504 7347 1 15 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.085 -0.797 18504 7348 1 15 . 1 1 101 101 ALA C C 101 178.865 178.865 179.740 -0.875 18504 7349 1 15 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.907 0.057 18504 7350 1 15 . 1 1 101 101 ALA CB C 101 17.861 17.861 17.927 -0.066 18504 7351 1 15 . 1 1 101 101 ALA H H 101 7.355 7.355 7.585 -0.230 18504 7352 1 15 . 1 1 102 102 LEU N N 102 115.061 115.061 118.859 -3.798 18504 7353 1 15 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.024 0.742 18504 7354 1 15 . 1 1 102 102 LEU C C 102 179.324 179.324 178.889 0.435 18504 7355 1 15 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.593 -0.097 18504 7356 1 15 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.126 -0.398 18504 7357 1 15 . 1 1 102 102 LEU H H 102 7.941 7.941 7.698 0.243 18504 7358 1 15 . 1 1 103 103 LEU N N 103 115.920 115.920 120.524 -4.604 18504 7359 1 15 . 1 1 103 103 LEU HA H 103 4.837 4.837 3.951 0.886 18504 7360 1 15 . 1 1 103 103 LEU C C 103 178.500 178.500 179.167 -0.667 18504 7361 1 15 . 1 1 103 103 LEU CA C 103 54.889 54.889 58.328 -3.439 18504 7362 1 15 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.095 1.671 18504 7363 1 15 . 1 1 103 103 LEU H H 103 8.266 8.266 7.584 0.682 18504 7364 1 15 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.045 0.590 18504 7365 1 15 . 1 1 105 105 LEU C C 105 175.743 175.743 178.448 -2.705 18504 7366 1 15 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.748 -0.651 18504 7367 1 15 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.673 -1.895 18504 7368 1 15 . 1 1 106 106 HIS N N 106 122.167 122.167 119.115 3.052 18504 7369 1 15 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.097 0.169 18504 7370 1 15 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.844 -3.730 18504 7371 1 15 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.298 -0.173 18504 7372 1 15 . 1 1 106 106 HIS H H 106 8.252 8.252 8.415 -0.163 18504 7373 1 15 . 1 1 107 107 ASN C C 107 179.694 179.694 177.469 2.225 18504 7374 1 15 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.593 1.738 18504 7375 1 15 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.310 3.687 18504 7376 1 15 . 1 1 108 108 ASP N N 108 122.462 122.462 120.359 2.103 18504 7377 1 15 . 1 1 108 108 ASP C C 108 179.328 179.328 178.538 0.790 18504 7378 1 15 . 1 1 108 108 ASP CA C 108 57.689 57.689 57.397 0.292 18504 7379 1 15 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.827 1.213 18504 7380 1 15 . 1 1 108 108 ASP H H 108 8.174 8.174 7.838 0.336 18504 7381 1 15 . 1 1 109 109 LEU N N 109 115.664 115.664 118.826 -3.162 18504 7382 1 15 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.054 0.798 18504 7383 1 15 . 1 1 109 109 LEU C C 109 178.510 178.510 177.913 0.597 18504 7384 1 15 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.679 -1.525 18504 7385 1 15 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.339 1.809 18504 7386 1 15 . 1 1 109 109 LEU H H 109 8.380 8.380 7.404 0.976 18504 7387 1 15 . 1 1 110 110 HIS N N 110 118.905 118.905 115.830 3.075 18504 7388 1 15 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.384 -0.474 18504 7389 1 15 . 1 1 110 110 HIS C C 110 176.152 176.152 176.849 -0.697 18504 7390 1 15 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.390 2.622 18504 7391 1 15 . 1 1 110 110 HIS CB C 110 28.112 28.112 30.260 -2.148 18504 7392 1 15 . 1 1 110 110 HIS H H 110 8.518 8.518 8.343 0.175 18504 7393 1 15 . 1 1 111 111 GLU N N 111 117.923 117.923 118.182 -0.259 18504 7394 1 15 . 1 1 111 111 GLU HA H 111 3.731 3.731 3.885 -0.154 18504 7395 1 15 . 1 1 111 111 GLU C C 111 176.596 176.596 176.239 0.357 18504 7396 1 15 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.407 -0.013 18504 7397 1 15 . 1 1 111 111 GLU CB C 111 29.044 29.044 30.178 -1.134 18504 7398 1 15 . 1 1 111 111 GLU H H 111 8.018 8.018 8.178 -0.160 18504 7399 1 15 . 1 1 112 112 TYR N N 112 114.607 114.607 115.183 -0.576 18504 7400 1 15 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.588 -0.151 18504 7401 1 15 . 1 1 112 112 TYR C C 112 174.448 174.448 175.753 -1.305 18504 7402 1 15 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.144 -0.372 18504 7403 1 15 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.159 0.828 18504 7404 1 15 . 1 1 112 112 TYR H H 112 7.905 7.905 7.294 0.611 18504 7405 1 15 . 1 1 113 113 VAL N N 113 118.003 118.003 121.153 -3.150 18504 7406 1 15 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.847 0.259 18504 7407 1 15 . 1 1 113 113 VAL C C 113 175.134 175.134 174.592 0.542 18504 7408 1 15 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.210 -0.523 18504 7409 1 15 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.019 3.209 18504 7410 1 15 . 1 1 113 113 VAL H H 113 6.976 6.976 8.482 -1.506 18504 7411 1 16 . 1 1 27 27 SER HA H 27 4.339 4.339 4.077 0.262 18504 7412 1 16 . 1 1 27 27 SER C C 27 175.743 175.743 173.595 2.148 18504 7413 1 16 . 1 1 27 27 SER CA C 27 60.497 60.497 60.154 0.343 18504 7414 1 16 . 1 1 27 27 SER CB C 27 63.659 63.659 62.245 1.414 18504 7415 1 16 . 1 1 28 28 LYS N N 28 118.099 118.099 121.032 -2.933 18504 7416 1 16 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.620 0.598 18504 7417 1 16 . 1 1 28 28 LYS C C 28 175.699 175.699 174.743 0.956 18504 7418 1 16 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.620 -0.075 18504 7419 1 16 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.036 1.877 18504 7420 1 16 . 1 1 28 28 LYS H H 28 7.785 7.785 7.873 -0.088 18504 7421 1 16 . 1 1 29 29 GLN N N 29 122.481 122.481 124.482 -2.001 18504 7422 1 16 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.581 0.157 18504 7423 1 16 . 1 1 29 29 GLN C C 29 174.277 174.277 173.786 0.491 18504 7424 1 16 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.680 0.845 18504 7425 1 16 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.495 0.374 18504 7426 1 16 . 1 1 29 29 GLN H H 29 9.283 9.283 8.448 0.835 18504 7427 1 16 . 1 1 30 30 GLU N N 30 122.881 122.881 124.819 -1.938 18504 7428 1 16 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.892 -0.616 18504 7429 1 16 . 1 1 30 30 GLU C C 30 173.313 173.313 174.915 -1.602 18504 7430 1 16 . 1 1 30 30 GLU CA C 30 55.954 55.954 55.077 0.877 18504 7431 1 16 . 1 1 30 30 GLU CB C 30 31.054 31.054 32.556 -1.502 18504 7432 1 16 . 1 1 30 30 GLU H H 30 9.188 9.188 8.557 0.631 18504 7433 1 16 . 1 1 31 31 LEU N N 31 130.328 130.328 126.438 3.890 18504 7434 1 16 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.559 -0.266 18504 7435 1 16 . 1 1 31 31 LEU C C 31 171.909 171.909 176.191 -4.282 18504 7436 1 16 . 1 1 31 31 LEU CA C 31 53.281 53.281 54.035 -0.755 18504 7437 1 16 . 1 1 31 31 LEU CB C 31 42.450 42.450 43.952 -1.502 18504 7438 1 16 . 1 1 31 31 LEU H H 31 9.016 9.016 8.620 0.396 18504 7439 1 16 . 1 1 32 32 ILE N N 32 120.632 120.632 120.994 -0.362 18504 7440 1 16 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.093 1.435 18504 7441 1 16 . 1 1 32 32 ILE C C 32 175.735 175.735 174.527 1.208 18504 7442 1 16 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.903 -1.679 18504 7443 1 16 . 1 1 32 32 ILE CB C 32 36.625 36.625 37.068 -0.443 18504 7444 1 16 . 1 1 32 32 ILE H H 32 8.738 8.738 8.248 0.490 18504 7445 1 16 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.583 -0.586 18504 7446 1 16 . 1 1 33 33 LEU C C 33 180.030 180.030 174.416 5.614 18504 7447 1 16 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.180 5.153 18504 7448 1 16 . 1 1 33 33 LEU CB C 33 41.433 41.433 46.216 -4.783 18504 7449 1 16 . 1 1 34 34 VAL N N 34 124.025 124.025 120.583 3.442 18504 7450 1 16 . 1 1 34 34 VAL HA H 34 3.617 3.617 3.945 -0.328 18504 7451 1 16 . 1 1 34 34 VAL C C 34 178.222 178.222 174.154 4.068 18504 7452 1 16 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.106 5.016 18504 7453 1 16 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.971 3.970 18504 7454 1 16 . 1 1 34 34 VAL H H 34 7.751 7.751 8.211 -0.460 18504 7455 1 16 . 1 1 35 35 LEU N N 35 120.009 120.009 127.131 -7.122 18504 7456 1 16 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.484 -0.208 18504 7457 1 16 . 1 1 35 35 LEU C C 35 175.855 175.855 176.882 -1.027 18504 7458 1 16 . 1 1 35 35 LEU CA C 35 57.375 57.375 55.093 2.282 18504 7459 1 16 . 1 1 35 35 LEU CB C 35 43.089 43.089 43.229 -0.140 18504 7460 1 16 . 1 1 35 35 LEU H H 35 7.532 7.532 8.446 -0.914 18504 7461 1 16 . 1 1 36 36 LYS N N 36 115.805 115.805 121.083 -5.278 18504 7462 1 16 . 1 1 36 36 LYS C C 36 178.903 178.903 176.410 2.493 18504 7463 1 16 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.155 2.192 18504 7464 1 16 . 1 1 36 36 LYS CB C 36 32.903 32.903 33.703 -0.800 18504 7465 1 16 . 1 1 36 36 LYS H H 36 7.501 7.501 8.413 -0.912 18504 7466 1 16 . 1 1 37 37 GLY N N 37 110.626 110.626 109.016 1.610 18504 7467 1 16 . 1 1 37 37 GLY C C 37 174.865 174.865 175.359 -0.494 18504 7468 1 16 . 1 1 37 37 GLY CA C 37 47.466 47.466 46.285 1.181 18504 7469 1 16 . 1 1 37 37 GLY H H 37 8.811 8.811 8.843 -0.032 18504 7470 1 16 . 1 1 38 38 GLU N N 38 116.098 116.098 120.130 -4.032 18504 7471 1 16 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.231 0.071 18504 7472 1 16 . 1 1 38 38 GLU C C 38 176.681 176.681 176.605 0.076 18504 7473 1 16 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.593 0.591 18504 7474 1 16 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.116 -1.287 18504 7475 1 16 . 1 1 38 38 GLU H H 38 8.763 8.763 8.385 0.378 18504 7476 1 16 . 1 1 39 39 LEU N N 39 119.439 119.439 119.040 0.399 18504 7477 1 16 . 1 1 39 39 LEU HA H 39 4.266 4.266 3.920 0.346 18504 7478 1 16 . 1 1 39 39 LEU C C 39 176.016 176.016 175.653 0.363 18504 7479 1 16 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.380 -0.655 18504 7480 1 16 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.378 1.224 18504 7481 1 16 . 1 1 39 39 LEU H H 39 7.167 7.167 8.037 -0.870 18504 7482 1 16 . 1 1 40 40 ASP N N 40 120.105 120.105 117.794 2.311 18504 7483 1 16 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.534 0.194 18504 7484 1 16 . 1 1 40 40 ASP C C 40 178.198 178.198 175.676 2.522 18504 7485 1 16 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.402 -1.212 18504 7486 1 16 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.550 -0.993 18504 7487 1 16 . 1 1 40 40 ASP H H 40 8.596 8.596 8.224 0.372 18504 7488 1 16 . 1 1 41 41 LEU N N 41 125.023 125.023 120.988 4.035 18504 7489 1 16 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.159 -0.406 18504 7490 1 16 . 1 1 41 41 LEU C C 41 175.113 175.113 176.157 -1.044 18504 7491 1 16 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.893 0.774 18504 7492 1 16 . 1 1 41 41 LEU CB C 41 39.849 39.849 42.740 -2.891 18504 7493 1 16 . 1 1 41 41 LEU H H 41 9.029 9.029 8.206 0.823 18504 7494 1 16 . 1 1 42 42 HIS N N 42 113.184 113.184 117.261 -4.077 18504 7495 1 16 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.250 0.274 18504 7496 1 16 . 1 1 42 42 HIS C C 42 175.855 175.855 174.323 1.532 18504 7497 1 16 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.437 -0.521 18504 7498 1 16 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.408 -0.271 18504 7499 1 16 . 1 1 42 42 HIS H H 42 8.065 8.065 8.550 -0.485 18504 7500 1 16 . 1 1 43 43 SER N N 43 116.013 116.013 120.797 -4.784 18504 7501 1 16 . 1 1 43 43 SER HA H 43 4.524 4.524 4.290 0.234 18504 7502 1 16 . 1 1 43 43 SER C C 43 174.426 174.426 175.029 -0.603 18504 7503 1 16 . 1 1 43 43 SER CA C 43 58.206 58.206 59.366 -1.160 18504 7504 1 16 . 1 1 43 43 SER CB C 43 65.517 65.517 63.742 1.775 18504 7505 1 16 . 1 1 43 43 SER H H 43 7.511 7.511 8.658 -1.147 18504 7506 1 16 . 1 1 44 44 LYS N N 44 123.332 123.332 127.729 -4.397 18504 7507 1 16 . 1 1 44 44 LYS C C 44 177.791 177.791 178.192 -0.401 18504 7508 1 16 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.892 0.564 18504 7509 1 16 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.646 -2.474 18504 7510 1 16 . 1 1 44 44 LYS H H 44 8.846 8.846 8.510 0.336 18504 7511 1 16 . 1 1 45 45 ASN N N 45 118.501 118.501 117.697 0.804 18504 7512 1 16 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.373 0.097 18504 7513 1 16 . 1 1 45 45 ASN C C 45 177.817 177.817 177.434 0.383 18504 7514 1 16 . 1 1 45 45 ASN CA C 45 56.928 56.928 57.553 -0.625 18504 7515 1 16 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.175 0.230 18504 7516 1 16 . 1 1 45 45 ASN H H 45 8.545 8.545 8.326 0.219 18504 7517 1 16 . 1 1 46 46 MET N N 46 116.171 116.171 115.812 0.359 18504 7518 1 16 . 1 1 46 46 MET HA H 46 4.471 4.471 4.266 0.205 18504 7519 1 16 . 1 1 46 46 MET C C 46 178.964 178.964 177.796 1.168 18504 7520 1 16 . 1 1 46 46 MET CA C 46 55.467 55.467 58.897 -3.430 18504 7521 1 16 . 1 1 46 46 MET CB C 46 29.707 29.707 32.078 -2.371 18504 7522 1 16 . 1 1 46 46 MET H H 46 7.379 7.379 8.104 -0.725 18504 7523 1 16 . 1 1 47 47 LYS N N 47 121.054 121.054 118.097 2.957 18504 7524 1 16 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.037 -0.153 18504 7525 1 16 . 1 1 47 47 LYS C C 47 179.310 179.310 178.400 0.910 18504 7526 1 16 . 1 1 47 47 LYS CA C 47 60.339 60.339 58.845 1.494 18504 7527 1 16 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.202 -0.452 18504 7528 1 16 . 1 1 47 47 LYS H H 47 8.450 8.450 7.982 0.468 18504 7529 1 16 . 1 1 48 48 ASN N N 48 117.137 117.137 118.123 -0.986 18504 7530 1 16 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.446 -0.565 18504 7531 1 16 . 1 1 48 48 ASN C C 48 177.733 177.733 177.247 0.486 18504 7532 1 16 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.075 0.465 18504 7533 1 16 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.708 -0.375 18504 7534 1 16 . 1 1 48 48 ASN H H 48 7.896 7.896 7.888 0.008 18504 7535 1 16 . 1 1 49 49 VAL N N 49 121.225 121.225 120.248 0.977 18504 7536 1 16 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.580 0.099 18504 7537 1 16 . 1 1 49 49 VAL C C 49 176.675 176.675 177.347 -0.672 18504 7538 1 16 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.051 0.383 18504 7539 1 16 . 1 1 49 49 VAL CB C 49 32.069 32.069 30.933 1.136 18504 7540 1 16 . 1 1 49 49 VAL H H 49 7.869 7.869 7.659 0.210 18504 7541 1 16 . 1 1 50 50 ILE N N 50 120.523 120.523 119.508 1.015 18504 7542 1 16 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.473 0.777 18504 7543 1 16 . 1 1 50 50 ILE C C 50 179.831 179.831 177.747 2.084 18504 7544 1 16 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.696 -6.756 18504 7545 1 16 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.808 2.304 18504 7546 1 16 . 1 1 50 50 ILE H H 50 8.093 8.093 7.609 0.484 18504 7547 1 16 . 1 1 51 51 ASN N N 51 117.280 117.280 117.986 -0.706 18504 7548 1 16 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.483 -0.464 18504 7549 1 16 . 1 1 51 51 ASN C C 51 178.496 178.496 177.602 0.894 18504 7550 1 16 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.228 0.384 18504 7551 1 16 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.230 0.125 18504 7552 1 16 . 1 1 51 51 ASN H H 51 7.953 7.953 7.612 0.341 18504 7553 1 16 . 1 1 52 52 ASN N N 52 118.893 118.893 119.602 -0.709 18504 7554 1 16 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.570 -0.155 18504 7555 1 16 . 1 1 52 52 ASN C C 52 176.434 176.434 177.337 -0.903 18504 7556 1 16 . 1 1 52 52 ASN CA C 52 56.770 56.770 55.773 0.997 18504 7557 1 16 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.175 0.178 18504 7558 1 16 . 1 1 52 52 ASN H H 52 8.347 8.347 7.803 0.544 18504 7559 1 16 . 1 1 53 53 ALA N N 53 122.291 122.291 121.771 0.520 18504 7560 1 16 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.018 0.496 18504 7561 1 16 . 1 1 53 53 ALA C C 53 180.689 180.689 179.216 1.473 18504 7562 1 16 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.100 -0.199 18504 7563 1 16 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.271 -0.370 18504 7564 1 16 . 1 1 53 53 ALA H H 53 7.706 7.706 8.853 -1.147 18504 7565 1 16 . 1 1 54 54 LYS N N 54 119.091 119.091 118.574 0.517 18504 7566 1 16 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.059 -0.222 18504 7567 1 16 . 1 1 54 54 LYS C C 54 178.066 178.066 178.172 -0.106 18504 7568 1 16 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.192 1.114 18504 7569 1 16 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.310 -0.222 18504 7570 1 16 . 1 1 54 54 LYS H H 54 8.375 8.375 7.629 0.746 18504 7571 1 16 . 1 1 55 55 LYS N N 55 119.370 119.370 119.457 -0.087 18504 7572 1 16 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.949 -0.076 18504 7573 1 16 . 1 1 55 55 LYS C C 55 179.819 179.819 179.154 0.665 18504 7574 1 16 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.332 0.954 18504 7575 1 16 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.226 -0.236 18504 7576 1 16 . 1 1 55 55 LYS H H 55 8.259 8.259 7.749 0.510 18504 7577 1 16 . 1 1 56 56 ASN N N 56 119.303 119.303 118.029 1.274 18504 7578 1 16 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.294 0.115 18504 7579 1 16 . 1 1 56 56 ASN C C 56 178.899 178.899 177.521 1.378 18504 7580 1 16 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.697 0.044 18504 7581 1 16 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.281 -1.178 18504 7582 1 16 . 1 1 56 56 ASN H H 56 8.235 8.235 8.175 0.060 18504 7583 1 16 . 1 1 57 57 LEU N N 57 123.252 123.252 121.702 1.550 18504 7584 1 16 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.272 0.410 18504 7585 1 16 . 1 1 57 57 LEU C C 57 178.541 178.541 179.204 -0.663 18504 7586 1 16 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.857 -0.658 18504 7587 1 16 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.020 0.606 18504 7588 1 16 . 1 1 57 57 LEU H H 57 8.210 8.210 7.836 0.374 18504 7589 1 16 . 1 1 58 58 GLU N N 58 118.795 118.795 117.633 1.162 18504 7590 1 16 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.969 0.034 18504 7591 1 16 . 1 1 58 58 GLU C C 58 177.333 177.333 179.078 -1.745 18504 7592 1 16 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.420 1.725 18504 7593 1 16 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.177 1.135 18504 7594 1 16 . 1 1 58 58 GLU H H 58 8.846 8.846 8.003 0.843 18504 7595 1 16 . 1 1 59 59 LYS N N 59 118.325 118.325 119.019 -0.694 18504 7596 1 16 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.946 0.529 18504 7597 1 16 . 1 1 59 59 LYS C C 59 178.428 178.428 178.916 -0.488 18504 7598 1 16 . 1 1 59 59 LYS CA C 59 60.145 60.145 58.951 1.194 18504 7599 1 16 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.976 0.712 18504 7600 1 16 . 1 1 59 59 LYS H H 59 8.373 8.373 7.480 0.893 18504 7601 1 16 . 1 1 60 60 TYR N N 60 119.345 119.345 117.484 1.861 18504 7602 1 16 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.439 -0.112 18504 7603 1 16 . 1 1 60 60 TYR C C 60 178.899 178.899 178.388 0.511 18504 7604 1 16 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.842 2.553 18504 7605 1 16 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.065 0.229 18504 7606 1 16 . 1 1 60 60 TYR H H 60 7.532 7.532 7.333 0.199 18504 7607 1 16 . 1 1 61 61 PHE N N 61 118.931 118.931 120.772 -1.841 18504 7608 1 16 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.018 0.310 18504 7609 1 16 . 1 1 61 61 PHE C C 61 178.450 178.450 177.554 0.896 18504 7610 1 16 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.663 0.730 18504 7611 1 16 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.014 -1.091 18504 7612 1 16 . 1 1 61 61 PHE H H 61 8.607 8.607 8.053 0.554 18504 7613 1 16 . 1 1 62 62 LYS N N 62 118.337 118.337 118.680 -0.343 18504 7614 1 16 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.102 0.200 18504 7615 1 16 . 1 1 62 62 LYS C C 62 178.333 178.333 177.445 0.888 18504 7616 1 16 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.962 0.350 18504 7617 1 16 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.617 0.232 18504 7618 1 16 . 1 1 62 62 LYS H H 62 8.615 8.615 8.378 0.237 18504 7619 1 16 . 1 1 63 63 GLU N N 63 116.360 116.360 117.312 -0.952 18504 7620 1 16 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.304 -0.378 18504 7621 1 16 . 1 1 63 63 GLU C C 63 177.317 177.317 177.697 -0.380 18504 7622 1 16 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.200 0.116 18504 7623 1 16 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.829 -1.474 18504 7624 1 16 . 1 1 63 63 GLU H H 63 7.547 7.547 7.805 -0.258 18504 7625 1 16 . 1 1 64 64 HIS N N 64 113.580 113.580 114.880 -1.300 18504 7626 1 16 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.805 -0.384 18504 7627 1 16 . 1 1 64 64 HIS C C 64 173.911 173.911 174.717 -0.806 18504 7628 1 16 . 1 1 64 64 HIS CA C 64 58.082 58.082 54.828 3.254 18504 7629 1 16 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.985 0.850 18504 7630 1 16 . 1 1 64 64 HIS H H 64 7.013 7.013 8.135 -1.122 18504 7631 1 16 . 1 1 65 65 PHE N N 65 119.434 119.434 118.265 1.169 18504 7632 1 16 . 1 1 65 65 PHE HA H 65 4.936 4.936 3.642 1.294 18504 7633 1 16 . 1 1 65 65 PHE C C 65 175.232 175.232 174.274 0.958 18504 7634 1 16 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.435 -2.212 18504 7635 1 16 . 1 1 65 65 PHE CB C 65 40.362 40.362 38.767 1.595 18504 7636 1 16 . 1 1 65 65 PHE H H 65 8.340 8.340 7.625 0.715 18504 7637 1 16 . 1 1 66 66 LYS N N 66 123.217 123.217 120.153 3.064 18504 7638 1 16 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.056 0.232 18504 7639 1 16 . 1 1 66 66 LYS C C 66 177.685 177.685 175.930 1.755 18504 7640 1 16 . 1 1 66 66 LYS CA C 66 58.798 58.798 58.083 0.715 18504 7641 1 16 . 1 1 66 66 LYS CB C 66 32.473 32.473 32.519 -0.046 18504 7642 1 16 . 1 1 66 66 LYS H H 66 8.590 8.590 7.939 0.651 18504 7643 1 16 . 1 1 67 67 GLU N N 67 117.085 117.085 123.025 -5.940 18504 7644 1 16 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.100 0.261 18504 7645 1 16 . 1 1 67 67 GLU C C 67 175.770 175.770 175.378 0.392 18504 7646 1 16 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.247 0.117 18504 7647 1 16 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.740 -1.637 18504 7648 1 16 . 1 1 67 67 GLU H H 67 8.969 8.969 8.718 0.251 18504 7649 1 16 . 1 1 68 68 PHE N N 68 121.127 121.127 117.909 3.218 18504 7650 1 16 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.592 -0.320 18504 7651 1 16 . 1 1 68 68 PHE C C 68 173.621 173.621 173.645 -0.024 18504 7652 1 16 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.644 1.452 18504 7653 1 16 . 1 1 68 68 PHE CB C 68 40.772 40.772 41.033 -0.261 18504 7654 1 16 . 1 1 68 68 PHE H H 68 7.752 7.752 7.939 -0.187 18504 7655 1 16 . 1 1 69 69 ASP N N 69 125.720 125.720 120.127 5.593 18504 7656 1 16 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.224 0.379 18504 7657 1 16 . 1 1 69 69 ASP C C 69 173.387 173.387 174.624 -1.237 18504 7658 1 16 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.791 0.090 18504 7659 1 16 . 1 1 69 69 ASP CB C 69 41.806 41.806 40.106 1.700 18504 7660 1 16 . 1 1 69 69 ASP H H 69 7.767 7.767 8.569 -0.802 18504 7661 1 16 . 1 1 70 70 LYS N N 70 115.004 115.004 121.678 -6.674 18504 7662 1 16 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.708 -0.259 18504 7663 1 16 . 1 1 70 70 LYS C C 70 175.841 175.841 174.432 1.409 18504 7664 1 16 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.063 1.423 18504 7665 1 16 . 1 1 70 70 LYS CB C 70 34.781 34.781 37.307 -2.526 18504 7666 1 16 . 1 1 70 70 LYS H H 70 7.305 7.305 8.314 -1.009 18504 7667 1 16 . 1 1 71 71 ILE N N 71 122.809 122.809 119.114 3.695 18504 7668 1 16 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.481 0.228 18504 7669 1 16 . 1 1 71 71 ILE C C 71 175.120 175.120 174.446 0.674 18504 7670 1 16 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.711 -1.459 18504 7671 1 16 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.996 -1.694 18504 7672 1 16 . 1 1 71 71 ILE H H 71 9.522 9.522 8.318 1.204 18504 7673 1 16 . 1 1 72 72 SER N N 72 121.741 121.741 120.731 1.010 18504 7674 1 16 . 1 1 72 72 SER HA H 72 4.920 4.920 5.062 -0.142 18504 7675 1 16 . 1 1 72 72 SER C C 72 172.157 172.157 172.520 -0.363 18504 7676 1 16 . 1 1 72 72 SER CA C 72 57.730 57.730 56.502 1.228 18504 7677 1 16 . 1 1 72 72 SER CB C 72 65.634 65.634 65.547 0.087 18504 7678 1 16 . 1 1 72 72 SER H H 72 8.760 8.760 8.394 0.366 18504 7679 1 16 . 1 1 73 73 TYR N N 73 118.245 118.245 117.167 1.078 18504 7680 1 16 . 1 1 73 73 TYR HA H 73 5.721 5.721 5.145 0.576 18504 7681 1 16 . 1 1 73 73 TYR C C 73 173.231 173.231 173.192 0.039 18504 7682 1 16 . 1 1 73 73 TYR CA C 73 56.230 56.230 56.953 -0.723 18504 7683 1 16 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.084 1.299 18504 7684 1 16 . 1 1 73 73 TYR H H 73 8.275 8.275 8.518 -0.243 18504 7685 1 16 . 1 1 74 74 ASP N N 74 120.379 120.379 119.587 0.792 18504 7686 1 16 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.802 0.253 18504 7687 1 16 . 1 1 74 74 ASP C C 74 174.827 174.827 173.665 1.162 18504 7688 1 16 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.109 0.492 18504 7689 1 16 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.291 0.349 18504 7690 1 16 . 1 1 74 74 ASP H H 74 9.332 9.332 9.272 0.060 18504 7691 1 16 . 1 1 75 75 ILE HA H 75 4.584 4.584 5.227 -0.643 18504 7692 1 16 . 1 1 75 75 ILE C C 75 177.411 177.411 174.559 2.852 18504 7693 1 16 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.582 -0.373 18504 7694 1 16 . 1 1 75 75 ILE CB C 75 40.768 40.768 42.171 -1.403 18504 7695 1 16 . 1 1 75 75 ILE H H 75 7.501 7.501 8.353 -0.852 18504 7696 1 16 . 1 1 76 76 SER N N 76 117.836 117.836 117.709 0.127 18504 7697 1 16 . 1 1 76 76 SER HA H 76 5.450 5.450 4.909 0.541 18504 7698 1 16 . 1 1 76 76 SER C C 76 173.767 173.767 172.374 1.393 18504 7699 1 16 . 1 1 76 76 SER CA C 76 57.758 57.758 58.151 -0.394 18504 7700 1 16 . 1 1 76 76 SER CB C 76 64.462 64.462 65.031 -0.569 18504 7701 1 16 . 1 1 76 76 SER H H 76 9.050 9.050 8.589 0.461 18504 7702 1 16 . 1 1 77 77 THR N N 77 117.435 117.435 113.240 4.195 18504 7703 1 16 . 1 1 77 77 THR HA H 77 4.959 4.959 4.121 0.838 18504 7704 1 16 . 1 1 77 77 THR C C 77 172.636 172.636 173.812 -1.176 18504 7705 1 16 . 1 1 77 77 THR CA C 77 58.870 58.870 62.742 -3.872 18504 7706 1 16 . 1 1 77 77 THR CB C 77 69.935 69.935 67.847 2.088 18504 7707 1 16 . 1 1 77 77 THR H H 77 8.601 8.601 8.163 0.438 18504 7708 1 16 . 1 1 78 78 PRO C C 78 179.328 179.328 177.892 1.436 18504 7709 1 16 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.819 -1.336 18504 7710 1 16 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.489 0.673 18504 7711 1 16 . 1 1 79 79 ILE N N 79 120.707 120.707 109.945 10.762 18504 7712 1 16 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.053 0.568 18504 7713 1 16 . 1 1 79 79 ILE C C 79 177.212 177.212 175.590 1.622 18504 7714 1 16 . 1 1 79 79 ILE CA C 79 65.921 65.921 61.441 4.479 18504 7715 1 16 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.635 -0.167 18504 7716 1 16 . 1 1 79 79 ILE H H 79 8.227 8.227 7.586 0.641 18504 7717 1 16 . 1 1 80 80 ASN N N 80 118.168 118.168 118.146 0.022 18504 7718 1 16 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.392 0.038 18504 7719 1 16 . 1 1 80 80 ASN C C 80 178.172 178.172 173.686 4.486 18504 7720 1 16 . 1 1 80 80 ASN CA C 80 56.763 56.763 53.926 2.837 18504 7721 1 16 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.830 0.257 18504 7722 1 16 . 1 1 80 80 ASN H H 80 8.466 8.466 7.765 0.701 18504 7723 1 16 . 1 1 81 81 PHE N N 81 129.059 129.059 122.176 6.883 18504 7724 1 16 . 1 1 81 81 PHE C C 81 174.016 174.016 173.642 0.374 18504 7725 1 16 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.717 -1.897 18504 7726 1 16 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.411 -2.639 18504 7727 1 16 . 1 1 81 81 PHE H H 81 9.152 9.152 8.939 0.213 18504 7728 1 16 . 1 1 82 82 LEU N N 82 124.640 124.640 127.740 -3.100 18504 7729 1 16 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.605 0.388 18504 7730 1 16 . 1 1 82 82 LEU C C 82 173.695 173.695 174.672 -0.977 18504 7731 1 16 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.058 0.692 18504 7732 1 16 . 1 1 82 82 LEU CB C 82 44.936 44.936 41.904 3.032 18504 7733 1 16 . 1 1 82 82 LEU H H 82 9.147 9.147 7.779 1.368 18504 7734 1 16 . 1 1 83 83 CYS N N 83 126.066 126.066 126.424 -0.358 18504 7735 1 16 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.478 0.760 18504 7736 1 16 . 1 1 83 83 CYS C C 83 173.733 173.733 173.350 0.383 18504 7737 1 16 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.469 -1.108 18504 7738 1 16 . 1 1 83 83 CYS CB C 83 28.374 28.374 27.733 0.641 18504 7739 1 16 . 1 1 83 83 CYS H H 83 9.065 9.065 8.653 0.412 18504 7740 1 16 . 1 1 84 84 ILE N N 84 126.110 126.110 130.739 -4.629 18504 7741 1 16 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.334 0.025 18504 7742 1 16 . 1 1 84 84 ILE C C 84 174.745 174.745 173.890 0.855 18504 7743 1 16 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.599 -0.080 18504 7744 1 16 . 1 1 84 84 ILE CB C 84 40.358 40.358 38.642 1.716 18504 7745 1 16 . 1 1 84 84 ILE H H 84 9.426 9.426 8.137 1.289 18504 7746 1 16 . 1 1 85 85 PHE N N 85 126.315 126.315 128.895 -2.580 18504 7747 1 16 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.899 0.120 18504 7748 1 16 . 1 1 85 85 PHE C C 85 175.358 175.358 174.693 0.665 18504 7749 1 16 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.295 1.436 18504 7750 1 16 . 1 1 85 85 PHE CB C 85 38.742 38.742 39.504 -0.762 18504 7751 1 16 . 1 1 85 85 PHE H H 85 8.337 8.337 8.904 -0.567 18504 7752 1 16 . 1 1 86 86 ILE N N 86 126.561 126.561 126.048 0.513 18504 7753 1 16 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.753 0.150 18504 7754 1 16 . 1 1 86 86 ILE C C 86 173.967 173.967 173.630 0.337 18504 7755 1 16 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.050 -1.664 18504 7756 1 16 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.531 -1.720 18504 7757 1 16 . 1 1 86 86 ILE H H 86 9.161 9.161 8.762 0.399 18504 7758 1 16 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.652 0.370 18504 7759 1 16 . 1 1 87 87 PRO C C 87 177.938 177.938 175.818 2.120 18504 7760 1 16 . 1 1 87 87 PRO CA C 87 62.508 62.508 63.007 -0.499 18504 7761 1 16 . 1 1 87 87 PRO CB C 87 32.534 32.534 32.024 0.510 18504 7762 1 16 . 1 1 88 88 THR N N 88 113.282 113.282 115.776 -2.494 18504 7763 1 16 . 1 1 88 88 THR HA H 88 4.486 4.486 4.529 -0.043 18504 7764 1 16 . 1 1 88 88 THR C C 88 176.082 176.082 173.720 2.362 18504 7765 1 16 . 1 1 88 88 THR CA C 88 60.306 60.306 62.421 -2.115 18504 7766 1 16 . 1 1 88 88 THR CB C 88 66.727 66.727 71.186 -4.459 18504 7767 1 16 . 1 1 88 88 THR H H 88 8.003 8.003 7.965 0.038 18504 7768 1 16 . 1 1 89 89 LEU N N 89 122.317 122.317 128.683 -6.366 18504 7769 1 16 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.659 -0.650 18504 7770 1 16 . 1 1 89 89 LEU C C 89 175.776 175.776 176.697 -0.921 18504 7771 1 16 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.896 -0.927 18504 7772 1 16 . 1 1 89 89 LEU CB C 89 41.996 41.996 43.172 -1.176 18504 7773 1 16 . 1 1 89 89 LEU H H 89 7.822 7.822 9.085 -1.263 18504 7774 1 16 . 1 1 90 90 PHE N N 90 114.801 114.801 121.131 -6.330 18504 7775 1 16 . 1 1 90 90 PHE HA H 90 5.560 5.560 3.996 1.564 18504 7776 1 16 . 1 1 90 90 PHE C C 90 175.869 175.869 174.547 1.322 18504 7777 1 16 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.991 -3.895 18504 7778 1 16 . 1 1 90 90 PHE CB C 90 40.107 40.107 37.985 2.122 18504 7779 1 16 . 1 1 90 90 PHE H H 90 7.110 7.110 7.569 -0.459 18504 7780 1 16 . 1 1 91 91 ASP N N 91 127.244 127.244 124.735 2.509 18504 7781 1 16 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.037 0.520 18504 7782 1 16 . 1 1 91 91 ASP C C 91 175.684 175.684 175.273 0.411 18504 7783 1 16 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.520 -1.551 18504 7784 1 16 . 1 1 91 91 ASP CB C 91 42.216 42.216 40.438 1.778 18504 7785 1 16 . 1 1 91 91 ASP H H 91 9.852 9.852 8.342 1.510 18504 7786 1 16 . 1 1 92 92 MET N N 92 113.730 113.730 118.730 -5.000 18504 7787 1 16 . 1 1 92 92 MET HA H 92 4.278 4.278 4.582 -0.304 18504 7788 1 16 . 1 1 92 92 MET C C 92 177.571 177.571 176.863 0.708 18504 7789 1 16 . 1 1 92 92 MET CA C 92 58.815 58.815 55.297 3.518 18504 7790 1 16 . 1 1 92 92 MET CB C 92 32.010 32.010 33.134 -1.124 18504 7791 1 16 . 1 1 92 92 MET H H 92 8.574 8.574 8.232 0.342 18504 7792 1 16 . 1 1 93 93 ASN N N 93 115.175 115.175 118.290 -3.115 18504 7793 1 16 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.567 0.182 18504 7794 1 16 . 1 1 93 93 ASN C C 93 176.300 176.300 175.499 0.801 18504 7795 1 16 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.719 0.474 18504 7796 1 16 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.500 0.926 18504 7797 1 16 . 1 1 93 93 ASN H H 93 8.576 8.576 8.400 0.176 18504 7798 1 16 . 1 1 94 94 ASN N N 94 119.005 119.005 113.805 5.200 18504 7799 1 16 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.542 0.649 18504 7800 1 16 . 1 1 94 94 ASN C C 94 177.230 177.230 173.951 3.279 18504 7801 1 16 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.453 -1.821 18504 7802 1 16 . 1 1 94 94 ASN CB C 94 38.093 38.093 38.087 0.006 18504 7803 1 16 . 1 1 94 94 ASN H H 94 8.049 8.049 8.619 -0.570 18504 7804 1 16 . 1 1 95 95 MET N N 95 117.771 117.771 117.117 0.654 18504 7805 1 16 . 1 1 95 95 MET HA H 95 4.048 4.048 4.534 -0.486 18504 7806 1 16 . 1 1 95 95 MET C C 95 178.005 178.005 174.307 3.698 18504 7807 1 16 . 1 1 95 95 MET CA C 95 58.275 58.275 54.978 3.297 18504 7808 1 16 . 1 1 95 95 MET CB C 95 32.327 32.327 34.810 -2.483 18504 7809 1 16 . 1 1 95 95 MET H H 95 7.489 7.489 7.803 -0.314 18504 7810 1 16 . 1 1 96 96 ASP N N 96 115.629 115.629 121.866 -6.237 18504 7811 1 16 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.639 -0.036 18504 7812 1 16 . 1 1 96 96 ASP C C 96 175.593 175.593 175.565 0.028 18504 7813 1 16 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.525 0.415 18504 7814 1 16 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.205 -1.760 18504 7815 1 16 . 1 1 96 96 ASP H H 96 7.777 7.777 8.622 -0.845 18504 7816 1 16 . 1 1 97 97 LEU N N 97 116.343 116.343 125.268 -8.925 18504 7817 1 16 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.584 0.033 18504 7818 1 16 . 1 1 97 97 LEU C C 97 174.835 174.835 177.057 -2.222 18504 7819 1 16 . 1 1 97 97 LEU CA C 97 54.433 54.433 54.172 0.261 18504 7820 1 16 . 1 1 97 97 LEU CB C 97 39.082 39.082 41.801 -2.719 18504 7821 1 16 . 1 1 97 97 LEU H H 97 8.027 8.027 8.522 -0.495 18504 7822 1 16 . 1 1 98 98 LEU N N 98 118.769 118.769 119.978 -1.209 18504 7823 1 16 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.197 -0.833 18504 7824 1 16 . 1 1 98 98 LEU C C 98 177.586 177.586 178.433 -0.847 18504 7825 1 16 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.653 0.566 18504 7826 1 16 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.588 -2.488 18504 7827 1 16 . 1 1 98 98 LEU H H 98 7.798 7.798 8.056 -0.258 18504 7828 1 16 . 1 1 99 99 LYS N N 99 117.567 117.567 120.012 -2.445 18504 7829 1 16 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.975 -0.559 18504 7830 1 16 . 1 1 99 99 LYS C C 99 177.639 177.639 178.730 -1.091 18504 7831 1 16 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.439 1.394 18504 7832 1 16 . 1 1 99 99 LYS CB C 99 32.044 32.044 32.309 -0.265 18504 7833 1 16 . 1 1 99 99 LYS H H 99 7.603 7.603 8.206 -0.603 18504 7834 1 16 . 1 1 100 100 GLN N N 100 114.564 114.564 117.587 -3.023 18504 7835 1 16 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.155 -0.343 18504 7836 1 16 . 1 1 100 100 GLN C C 100 178.165 178.165 177.355 0.810 18504 7837 1 16 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.757 0.027 18504 7838 1 16 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.514 -1.031 18504 7839 1 16 . 1 1 100 100 GLN H H 100 7.625 7.625 8.573 -0.948 18504 7840 1 16 . 1 1 101 101 ALA N N 101 121.499 121.499 122.490 -0.991 18504 7841 1 16 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.179 -0.891 18504 7842 1 16 . 1 1 101 101 ALA C C 101 178.865 178.865 179.543 -0.678 18504 7843 1 16 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.554 0.410 18504 7844 1 16 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.362 -0.501 18504 7845 1 16 . 1 1 101 101 ALA H H 101 7.355 7.355 7.543 -0.188 18504 7846 1 16 . 1 1 102 102 LEU N N 102 115.061 115.061 119.453 -4.392 18504 7847 1 16 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.109 0.657 18504 7848 1 16 . 1 1 102 102 LEU C C 102 179.324 179.324 178.625 0.699 18504 7849 1 16 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.796 -0.300 18504 7850 1 16 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.561 -0.833 18504 7851 1 16 . 1 1 102 102 LEU H H 102 7.941 7.941 7.826 0.115 18504 7852 1 16 . 1 1 103 103 LEU N N 103 115.920 115.920 118.547 -2.627 18504 7853 1 16 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.312 0.525 18504 7854 1 16 . 1 1 103 103 LEU C C 103 178.500 178.500 178.523 -0.023 18504 7855 1 16 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.820 -2.931 18504 7856 1 16 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.214 2.553 18504 7857 1 16 . 1 1 103 103 LEU H H 103 8.266 8.266 7.749 0.517 18504 7858 1 16 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.043 0.592 18504 7859 1 16 . 1 1 105 105 LEU C C 105 175.743 175.743 178.517 -2.774 18504 7860 1 16 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.374 -0.277 18504 7861 1 16 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.480 -1.702 18504 7862 1 16 . 1 1 106 106 HIS N N 106 122.167 122.167 118.671 3.496 18504 7863 1 16 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.148 0.118 18504 7864 1 16 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.451 -2.337 18504 7865 1 16 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.176 -0.051 18504 7866 1 16 . 1 1 106 106 HIS H H 106 8.252 8.252 7.755 0.497 18504 7867 1 16 . 1 1 107 107 ASN C C 107 179.694 179.694 177.537 2.157 18504 7868 1 16 . 1 1 107 107 ASN CA C 107 58.331 58.331 57.197 1.134 18504 7869 1 16 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.481 3.516 18504 7870 1 16 . 1 1 108 108 ASP N N 108 122.462 122.462 120.527 1.935 18504 7871 1 16 . 1 1 108 108 ASP C C 108 179.328 179.328 178.471 0.857 18504 7872 1 16 . 1 1 108 108 ASP CA C 108 57.689 57.689 57.667 0.022 18504 7873 1 16 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.849 1.191 18504 7874 1 16 . 1 1 108 108 ASP H H 108 8.174 8.174 8.039 0.135 18504 7875 1 16 . 1 1 109 109 LEU N N 109 115.664 115.664 119.882 -4.218 18504 7876 1 16 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.085 0.767 18504 7877 1 16 . 1 1 109 109 LEU C C 109 178.510 178.510 179.281 -0.771 18504 7878 1 16 . 1 1 109 109 LEU CA C 109 55.154 55.154 57.948 -2.794 18504 7879 1 16 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.404 1.744 18504 7880 1 16 . 1 1 109 109 LEU H H 109 8.380 8.380 7.443 0.937 18504 7881 1 16 . 1 1 110 110 HIS N N 110 118.905 118.905 117.184 1.721 18504 7882 1 16 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.282 -0.372 18504 7883 1 16 . 1 1 110 110 HIS C C 110 176.152 176.152 177.109 -0.957 18504 7884 1 16 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.986 3.026 18504 7885 1 16 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.951 -1.839 18504 7886 1 16 . 1 1 110 110 HIS H H 110 8.518 8.518 8.433 0.085 18504 7887 1 16 . 1 1 111 111 GLU N N 111 117.923 117.923 116.735 1.188 18504 7888 1 16 . 1 1 111 111 GLU HA H 111 3.731 3.731 3.962 -0.231 18504 7889 1 16 . 1 1 111 111 GLU C C 111 176.596 176.596 176.464 0.132 18504 7890 1 16 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.646 -0.252 18504 7891 1 16 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.900 -0.856 18504 7892 1 16 . 1 1 111 111 GLU H H 111 8.018 8.018 8.311 -0.293 18504 7893 1 16 . 1 1 112 112 TYR N N 112 114.607 114.607 116.606 -1.999 18504 7894 1 16 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.582 -0.145 18504 7895 1 16 . 1 1 112 112 TYR C C 112 174.448 174.448 176.229 -1.781 18504 7896 1 16 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.701 -0.929 18504 7897 1 16 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.293 -0.306 18504 7898 1 16 . 1 1 112 112 TYR H H 112 7.905 7.905 7.618 0.287 18504 7899 1 16 . 1 1 113 113 VAL N N 113 118.003 118.003 119.300 -1.297 18504 7900 1 16 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.821 0.285 18504 7901 1 16 . 1 1 113 113 VAL C C 113 175.134 175.134 174.721 0.413 18504 7902 1 16 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.156 -0.469 18504 7903 1 16 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.702 2.526 18504 7904 1 16 . 1 1 113 113 VAL H H 113 6.976 6.976 8.282 -1.306 18504 7905 1 17 . 1 1 27 27 SER HA H 27 4.339 4.339 4.787 -0.448 18504 7906 1 17 . 1 1 27 27 SER C C 27 175.743 175.743 172.877 2.866 18504 7907 1 17 . 1 1 27 27 SER CA C 27 60.497 60.497 57.772 2.725 18504 7908 1 17 . 1 1 27 27 SER CB C 27 63.659 63.659 64.462 -0.803 18504 7909 1 17 . 1 1 28 28 LYS N N 28 118.099 118.099 127.041 -8.942 18504 7910 1 17 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.566 0.652 18504 7911 1 17 . 1 1 28 28 LYS C C 28 175.699 175.699 175.897 -0.198 18504 7912 1 17 . 1 1 28 28 LYS CA C 28 55.545 55.545 56.032 -0.487 18504 7913 1 17 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.184 1.729 18504 7914 1 17 . 1 1 28 28 LYS H H 28 7.785 7.785 8.690 -0.905 18504 7915 1 17 . 1 1 29 29 GLN N N 29 122.481 122.481 123.995 -1.514 18504 7916 1 17 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.616 0.122 18504 7917 1 17 . 1 1 29 29 GLN C C 29 174.277 174.277 173.699 0.578 18504 7918 1 17 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.913 0.612 18504 7919 1 17 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.104 -0.234 18504 7920 1 17 . 1 1 29 29 GLN H H 29 9.283 9.283 8.425 0.858 18504 7921 1 17 . 1 1 30 30 GLU N N 30 122.881 122.881 121.746 1.135 18504 7922 1 17 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.759 -0.483 18504 7923 1 17 . 1 1 30 30 GLU C C 30 173.313 173.313 174.379 -1.066 18504 7924 1 17 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.361 1.593 18504 7925 1 17 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.163 -0.109 18504 7926 1 17 . 1 1 30 30 GLU H H 30 9.188 9.188 8.359 0.829 18504 7927 1 17 . 1 1 31 31 LEU N N 31 130.328 130.328 123.757 6.571 18504 7928 1 17 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.573 -0.280 18504 7929 1 17 . 1 1 31 31 LEU C C 31 171.909 171.909 176.205 -4.296 18504 7930 1 17 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.665 -0.384 18504 7931 1 17 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.921 -2.471 18504 7932 1 17 . 1 1 31 31 LEU H H 31 9.016 9.016 8.090 0.926 18504 7933 1 17 . 1 1 32 32 ILE N N 32 120.632 120.632 121.644 -1.012 18504 7934 1 17 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.194 1.334 18504 7935 1 17 . 1 1 32 32 ILE C C 32 175.735 175.735 175.730 0.005 18504 7936 1 17 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.007 -0.783 18504 7937 1 17 . 1 1 32 32 ILE CB C 32 36.625 36.625 36.901 -0.276 18504 7938 1 17 . 1 1 32 32 ILE H H 32 8.738 8.738 8.333 0.405 18504 7939 1 17 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.806 -0.809 18504 7940 1 17 . 1 1 33 33 LEU C C 33 180.030 180.030 175.057 4.973 18504 7941 1 17 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.690 4.643 18504 7942 1 17 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.204 -3.771 18504 7943 1 17 . 1 1 34 34 VAL N N 34 124.025 124.025 119.189 4.836 18504 7944 1 17 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.270 -0.653 18504 7945 1 17 . 1 1 34 34 VAL C C 34 178.222 178.222 174.150 4.072 18504 7946 1 17 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.648 4.474 18504 7947 1 17 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.501 4.441 18504 7948 1 17 . 1 1 34 34 VAL H H 34 7.751 7.751 8.209 -0.458 18504 7949 1 17 . 1 1 35 35 LEU N N 35 120.009 120.009 126.383 -6.374 18504 7950 1 17 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.574 -0.298 18504 7951 1 17 . 1 1 35 35 LEU C C 35 175.855 175.855 175.715 0.140 18504 7952 1 17 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.912 3.463 18504 7953 1 17 . 1 1 35 35 LEU CB C 35 43.089 43.089 44.648 -1.559 18504 7954 1 17 . 1 1 35 35 LEU H H 35 7.532 7.532 8.386 -0.854 18504 7955 1 17 . 1 1 36 36 LYS N N 36 115.805 115.805 120.649 -4.844 18504 7956 1 17 . 1 1 36 36 LYS C C 36 178.903 178.903 174.906 3.997 18504 7957 1 17 . 1 1 36 36 LYS CA C 36 58.347 58.347 57.178 1.169 18504 7958 1 17 . 1 1 36 36 LYS CB C 36 32.903 32.903 34.883 -1.980 18504 7959 1 17 . 1 1 36 36 LYS H H 36 7.501 7.501 8.549 -1.048 18504 7960 1 17 . 1 1 37 37 GLY N N 37 110.626 110.626 111.027 -0.401 18504 7961 1 17 . 1 1 37 37 GLY C C 37 174.865 174.865 173.118 1.747 18504 7962 1 17 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.123 2.343 18504 7963 1 17 . 1 1 37 37 GLY H H 37 8.811 8.811 8.095 0.716 18504 7964 1 17 . 1 1 38 38 GLU N N 38 116.098 116.098 119.688 -3.590 18504 7965 1 17 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.663 -0.361 18504 7966 1 17 . 1 1 38 38 GLU C C 38 176.681 176.681 175.650 1.031 18504 7967 1 17 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.152 1.032 18504 7968 1 17 . 1 1 38 38 GLU CB C 38 28.829 28.829 31.503 -2.674 18504 7969 1 17 . 1 1 38 38 GLU H H 38 8.763 8.763 8.467 0.296 18504 7970 1 17 . 1 1 39 39 LEU N N 39 119.439 119.439 121.845 -2.406 18504 7971 1 17 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.806 -0.540 18504 7972 1 17 . 1 1 39 39 LEU C C 39 176.016 176.016 176.823 -0.807 18504 7973 1 17 . 1 1 39 39 LEU CA C 39 54.725 54.725 54.787 -0.062 18504 7974 1 17 . 1 1 39 39 LEU CB C 39 43.602 43.602 44.194 -0.592 18504 7975 1 17 . 1 1 39 39 LEU H H 39 7.167 7.167 8.120 -0.953 18504 7976 1 17 . 1 1 40 40 ASP N N 40 120.105 120.105 118.599 1.506 18504 7977 1 17 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.756 -0.028 18504 7978 1 17 . 1 1 40 40 ASP C C 40 178.198 178.198 175.577 2.621 18504 7979 1 17 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.219 -2.029 18504 7980 1 17 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.906 -1.349 18504 7981 1 17 . 1 1 40 40 ASP H H 40 8.596 8.596 8.354 0.242 18504 7982 1 17 . 1 1 41 41 LEU N N 41 125.023 125.023 119.148 5.875 18504 7983 1 17 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.578 -0.825 18504 7984 1 17 . 1 1 41 41 LEU C C 41 175.113 175.113 175.383 -0.270 18504 7985 1 17 . 1 1 41 41 LEU CA C 41 56.667 56.667 54.408 2.259 18504 7986 1 17 . 1 1 41 41 LEU CB C 41 39.849 39.849 43.738 -3.889 18504 7987 1 17 . 1 1 41 41 LEU H H 41 9.029 9.029 7.583 1.446 18504 7988 1 17 . 1 1 42 42 HIS N N 42 113.184 113.184 118.902 -5.718 18504 7989 1 17 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.413 0.111 18504 7990 1 17 . 1 1 42 42 HIS C C 42 175.855 175.855 174.085 1.770 18504 7991 1 17 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.154 -0.238 18504 7992 1 17 . 1 1 42 42 HIS CB C 42 30.137 30.137 29.851 0.286 18504 7993 1 17 . 1 1 42 42 HIS H H 42 8.065 8.065 8.307 -0.242 18504 7994 1 17 . 1 1 43 43 SER N N 43 116.013 116.013 119.690 -3.677 18504 7995 1 17 . 1 1 43 43 SER HA H 43 4.524 4.524 4.597 -0.073 18504 7996 1 17 . 1 1 43 43 SER C C 43 174.426 174.426 175.082 -0.656 18504 7997 1 17 . 1 1 43 43 SER CA C 43 58.206 58.206 57.739 0.468 18504 7998 1 17 . 1 1 43 43 SER CB C 43 65.517 65.517 63.469 2.048 18504 7999 1 17 . 1 1 43 43 SER H H 43 7.511 7.511 8.435 -0.924 18504 8000 1 17 . 1 1 44 44 LYS N N 44 123.332 123.332 126.501 -3.169 18504 8001 1 17 . 1 1 44 44 LYS C C 44 177.791 177.791 177.340 0.451 18504 8002 1 17 . 1 1 44 44 LYS CA C 44 59.456 59.456 59.247 0.209 18504 8003 1 17 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.304 -2.132 18504 8004 1 17 . 1 1 44 44 LYS H H 44 8.846 8.846 8.134 0.712 18504 8005 1 17 . 1 1 45 45 ASN N N 45 118.501 118.501 118.692 -0.191 18504 8006 1 17 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.345 0.125 18504 8007 1 17 . 1 1 45 45 ASN C C 45 177.817 177.817 177.163 0.654 18504 8008 1 17 . 1 1 45 45 ASN CA C 45 56.928 56.928 55.946 0.982 18504 8009 1 17 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.266 1.138 18504 8010 1 17 . 1 1 45 45 ASN H H 45 8.545 8.545 8.302 0.243 18504 8011 1 17 . 1 1 46 46 MET N N 46 116.171 116.171 116.195 -0.024 18504 8012 1 17 . 1 1 46 46 MET HA H 46 4.471 4.471 4.013 0.458 18504 8013 1 17 . 1 1 46 46 MET C C 46 178.964 178.964 178.075 0.889 18504 8014 1 17 . 1 1 46 46 MET CA C 46 55.467 55.467 58.131 -2.664 18504 8015 1 17 . 1 1 46 46 MET CB C 46 29.707 29.707 32.100 -2.393 18504 8016 1 17 . 1 1 46 46 MET H H 46 7.379 7.379 7.900 -0.521 18504 8017 1 17 . 1 1 47 47 LYS N N 47 121.054 121.054 119.135 1.919 18504 8018 1 17 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.950 -0.066 18504 8019 1 17 . 1 1 47 47 LYS C C 47 179.310 179.310 178.724 0.586 18504 8020 1 17 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.135 1.204 18504 8021 1 17 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.945 -0.195 18504 8022 1 17 . 1 1 47 47 LYS H H 47 8.450 8.450 7.520 0.930 18504 8023 1 17 . 1 1 48 48 ASN N N 48 117.137 117.137 118.021 -0.884 18504 8024 1 17 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.477 -0.596 18504 8025 1 17 . 1 1 48 48 ASN C C 48 177.733 177.733 177.341 0.392 18504 8026 1 17 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.087 0.453 18504 8027 1 17 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.673 -0.340 18504 8028 1 17 . 1 1 48 48 ASN H H 48 7.896 7.896 7.965 -0.069 18504 8029 1 17 . 1 1 49 49 VAL N N 49 121.225 121.225 120.338 0.887 18504 8030 1 17 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.618 0.061 18504 8031 1 17 . 1 1 49 49 VAL C C 49 176.675 176.675 177.603 -0.928 18504 8032 1 17 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.635 -0.201 18504 8033 1 17 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.520 0.549 18504 8034 1 17 . 1 1 49 49 VAL H H 49 7.869 7.869 7.390 0.479 18504 8035 1 17 . 1 1 50 50 ILE N N 50 120.523 120.523 119.086 1.437 18504 8036 1 17 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.576 0.674 18504 8037 1 17 . 1 1 50 50 ILE C C 50 179.831 179.831 177.431 2.400 18504 8038 1 17 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.920 -6.980 18504 8039 1 17 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.855 2.257 18504 8040 1 17 . 1 1 50 50 ILE H H 50 8.093 8.093 7.790 0.303 18504 8041 1 17 . 1 1 51 51 ASN N N 51 117.280 117.280 117.925 -0.645 18504 8042 1 17 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.446 -0.427 18504 8043 1 17 . 1 1 51 51 ASN C C 51 178.496 178.496 177.511 0.985 18504 8044 1 17 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.731 -0.119 18504 8045 1 17 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.515 -0.160 18504 8046 1 17 . 1 1 51 51 ASN H H 51 7.953 7.953 7.784 0.169 18504 8047 1 17 . 1 1 52 52 ASN N N 52 118.893 118.893 119.633 -0.740 18504 8048 1 17 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.473 -0.058 18504 8049 1 17 . 1 1 52 52 ASN C C 52 176.434 176.434 177.109 -0.675 18504 8050 1 17 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.636 0.134 18504 8051 1 17 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.475 -0.122 18504 8052 1 17 . 1 1 52 52 ASN H H 52 8.347 8.347 7.927 0.420 18504 8053 1 17 . 1 1 53 53 ALA N N 53 122.291 122.291 122.459 -0.168 18504 8054 1 17 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.084 0.430 18504 8055 1 17 . 1 1 53 53 ALA C C 53 180.689 180.689 179.609 1.080 18504 8056 1 17 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.152 -0.251 18504 8057 1 17 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.249 -0.348 18504 8058 1 17 . 1 1 53 53 ALA H H 53 7.706 7.706 8.790 -1.084 18504 8059 1 17 . 1 1 54 54 LYS N N 54 119.091 119.091 118.100 0.991 18504 8060 1 17 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.136 -0.299 18504 8061 1 17 . 1 1 54 54 LYS C C 54 178.066 178.066 178.606 -0.540 18504 8062 1 17 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.251 1.056 18504 8063 1 17 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.427 -0.339 18504 8064 1 17 . 1 1 54 54 LYS H H 54 8.375 8.375 7.517 0.858 18504 8065 1 17 . 1 1 55 55 LYS N N 55 119.370 119.370 120.118 -0.748 18504 8066 1 17 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.966 -0.093 18504 8067 1 17 . 1 1 55 55 LYS C C 55 179.819 179.819 179.166 0.653 18504 8068 1 17 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.430 0.856 18504 8069 1 17 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.351 -0.361 18504 8070 1 17 . 1 1 55 55 LYS H H 55 8.259 8.259 7.951 0.308 18504 8071 1 17 . 1 1 56 56 ASN N N 56 119.303 119.303 118.141 1.162 18504 8072 1 17 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.418 -0.009 18504 8073 1 17 . 1 1 56 56 ASN C C 56 178.899 178.899 177.707 1.192 18504 8074 1 17 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.724 0.016 18504 8075 1 17 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.149 -1.046 18504 8076 1 17 . 1 1 56 56 ASN H H 56 8.235 8.235 8.378 -0.143 18504 8077 1 17 . 1 1 57 57 LEU N N 57 123.252 123.252 122.318 0.934 18504 8078 1 17 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.260 0.422 18504 8079 1 17 . 1 1 57 57 LEU C C 57 178.541 178.541 179.093 -0.552 18504 8080 1 17 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.328 -0.129 18504 8081 1 17 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.181 1.445 18504 8082 1 17 . 1 1 57 57 LEU H H 57 8.210 8.210 7.876 0.334 18504 8083 1 17 . 1 1 58 58 GLU N N 58 118.795 118.795 117.450 1.345 18504 8084 1 17 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.988 0.015 18504 8085 1 17 . 1 1 58 58 GLU C C 58 177.333 177.333 179.078 -1.745 18504 8086 1 17 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.777 1.368 18504 8087 1 17 . 1 1 58 58 GLU CB C 58 30.312 30.312 29.245 1.067 18504 8088 1 17 . 1 1 58 58 GLU H H 58 8.846 8.846 8.177 0.669 18504 8089 1 17 . 1 1 59 59 LYS N N 59 118.325 118.325 119.151 -0.826 18504 8090 1 17 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.965 0.510 18504 8091 1 17 . 1 1 59 59 LYS C C 59 178.428 178.428 178.929 -0.501 18504 8092 1 17 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.275 0.870 18504 8093 1 17 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.925 0.763 18504 8094 1 17 . 1 1 59 59 LYS H H 59 8.373 8.373 7.429 0.944 18504 8095 1 17 . 1 1 60 60 TYR N N 60 119.345 119.345 117.735 1.610 18504 8096 1 17 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.193 0.134 18504 8097 1 17 . 1 1 60 60 TYR C C 60 178.899 178.899 177.801 1.098 18504 8098 1 17 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.929 1.465 18504 8099 1 17 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.328 -0.034 18504 8100 1 17 . 1 1 60 60 TYR H H 60 7.532 7.532 7.516 0.016 18504 8101 1 17 . 1 1 61 61 PHE N N 61 118.931 118.931 119.506 -0.575 18504 8102 1 17 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.162 0.166 18504 8103 1 17 . 1 1 61 61 PHE C C 61 178.450 178.450 177.550 0.900 18504 8104 1 17 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.062 1.332 18504 8105 1 17 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.091 -1.168 18504 8106 1 17 . 1 1 61 61 PHE H H 61 8.607 8.607 8.162 0.445 18504 8107 1 17 . 1 1 62 62 LYS N N 62 118.337 118.337 119.550 -1.213 18504 8108 1 17 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.180 0.122 18504 8109 1 17 . 1 1 62 62 LYS C C 62 178.333 178.333 177.121 1.212 18504 8110 1 17 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.827 0.484 18504 8111 1 17 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.458 0.391 18504 8112 1 17 . 1 1 62 62 LYS H H 62 8.615 8.615 8.172 0.443 18504 8113 1 17 . 1 1 63 63 GLU N N 63 116.360 116.360 117.306 -0.946 18504 8114 1 17 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.264 -0.338 18504 8115 1 17 . 1 1 63 63 GLU C C 63 177.317 177.317 177.027 0.290 18504 8116 1 17 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.960 0.356 18504 8117 1 17 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.274 -0.918 18504 8118 1 17 . 1 1 63 63 GLU H H 63 7.547 7.547 7.699 -0.152 18504 8119 1 17 . 1 1 64 64 HIS N N 64 113.580 113.580 116.817 -3.237 18504 8120 1 17 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.684 -0.263 18504 8121 1 17 . 1 1 64 64 HIS C C 64 173.911 173.911 174.380 -0.469 18504 8122 1 17 . 1 1 64 64 HIS CA C 64 58.082 58.082 54.989 3.093 18504 8123 1 17 . 1 1 64 64 HIS CB C 64 31.835 31.835 31.578 0.257 18504 8124 1 17 . 1 1 64 64 HIS H H 64 7.013 7.013 8.115 -1.102 18504 8125 1 17 . 1 1 65 65 PHE N N 65 119.434 119.434 119.084 0.350 18504 8126 1 17 . 1 1 65 65 PHE HA H 65 4.936 4.936 3.445 1.491 18504 8127 1 17 . 1 1 65 65 PHE C C 65 175.232 175.232 174.052 1.180 18504 8128 1 17 . 1 1 65 65 PHE CA C 65 57.223 57.223 58.904 -1.681 18504 8129 1 17 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.722 2.640 18504 8130 1 17 . 1 1 65 65 PHE H H 65 8.340 8.340 7.636 0.704 18504 8131 1 17 . 1 1 66 66 LYS N N 66 123.217 123.217 120.352 2.865 18504 8132 1 17 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.337 -0.049 18504 8133 1 17 . 1 1 66 66 LYS C C 66 177.685 177.685 175.235 2.450 18504 8134 1 17 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.376 2.422 18504 8135 1 17 . 1 1 66 66 LYS CB C 66 32.473 32.473 33.026 -0.554 18504 8136 1 17 . 1 1 66 66 LYS H H 66 8.590 8.590 7.824 0.766 18504 8137 1 17 . 1 1 67 67 GLU N N 67 117.085 117.085 120.345 -3.260 18504 8138 1 17 . 1 1 67 67 GLU HA H 67 4.361 4.361 3.833 0.528 18504 8139 1 17 . 1 1 67 67 GLU C C 67 175.770 175.770 175.727 0.043 18504 8140 1 17 . 1 1 67 67 GLU CA C 67 56.364 56.364 57.245 -0.881 18504 8141 1 17 . 1 1 67 67 GLU CB C 67 29.103 29.103 28.795 0.308 18504 8142 1 17 . 1 1 67 67 GLU H H 67 8.969 8.969 8.225 0.744 18504 8143 1 17 . 1 1 68 68 PHE N N 68 121.127 121.127 117.356 3.771 18504 8144 1 17 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.747 -0.475 18504 8145 1 17 . 1 1 68 68 PHE C C 68 173.621 173.621 174.098 -0.477 18504 8146 1 17 . 1 1 68 68 PHE CA C 68 59.096 59.096 55.222 3.873 18504 8147 1 17 . 1 1 68 68 PHE CB C 68 40.772 40.772 38.119 2.653 18504 8148 1 17 . 1 1 68 68 PHE H H 68 7.752 7.752 7.233 0.519 18504 8149 1 17 . 1 1 69 69 ASP N N 69 125.720 125.720 117.055 8.665 18504 8150 1 17 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.703 -0.100 18504 8151 1 17 . 1 1 69 69 ASP C C 69 173.387 173.387 174.343 -0.956 18504 8152 1 17 . 1 1 69 69 ASP CA C 69 54.881 54.881 53.788 1.093 18504 8153 1 17 . 1 1 69 69 ASP CB C 69 41.806 41.806 42.829 -1.023 18504 8154 1 17 . 1 1 69 69 ASP H H 69 7.767 7.767 7.414 0.353 18504 8155 1 17 . 1 1 70 70 LYS N N 70 115.004 115.004 119.997 -4.993 18504 8156 1 17 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.697 -0.248 18504 8157 1 17 . 1 1 70 70 LYS C C 70 175.841 175.841 174.888 0.953 18504 8158 1 17 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.642 0.845 18504 8159 1 17 . 1 1 70 70 LYS CB C 70 34.781 34.781 34.975 -0.194 18504 8160 1 17 . 1 1 70 70 LYS H H 70 7.305 7.305 8.189 -0.884 18504 8161 1 17 . 1 1 71 71 ILE N N 71 122.809 122.809 119.241 3.568 18504 8162 1 17 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.402 0.307 18504 8163 1 17 . 1 1 71 71 ILE C C 71 175.120 175.120 174.696 0.424 18504 8164 1 17 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.251 -0.999 18504 8165 1 17 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.316 -1.014 18504 8166 1 17 . 1 1 71 71 ILE H H 71 9.522 9.522 8.225 1.297 18504 8167 1 17 . 1 1 72 72 SER N N 72 121.741 121.741 120.012 1.729 18504 8168 1 17 . 1 1 72 72 SER HA H 72 4.920 4.920 4.994 -0.074 18504 8169 1 17 . 1 1 72 72 SER C C 72 172.157 172.157 172.678 -0.521 18504 8170 1 17 . 1 1 72 72 SER CA C 72 57.730 57.730 56.694 1.036 18504 8171 1 17 . 1 1 72 72 SER CB C 72 65.634 65.634 65.235 0.399 18504 8172 1 17 . 1 1 72 72 SER H H 72 8.760 8.760 8.370 0.390 18504 8173 1 17 . 1 1 73 73 TYR N N 73 118.245 118.245 117.425 0.820 18504 8174 1 17 . 1 1 73 73 TYR HA H 73 5.721 5.721 5.330 0.391 18504 8175 1 17 . 1 1 73 73 TYR C C 73 173.231 173.231 173.714 -0.483 18504 8176 1 17 . 1 1 73 73 TYR CA C 73 56.230 56.230 56.824 -0.594 18504 8177 1 17 . 1 1 73 73 TYR CB C 73 42.383 42.383 41.086 1.298 18504 8178 1 17 . 1 1 73 73 TYR H H 73 8.275 8.275 8.154 0.121 18504 8179 1 17 . 1 1 74 74 ASP N N 74 120.379 120.379 120.912 -0.533 18504 8180 1 17 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.861 0.194 18504 8181 1 17 . 1 1 74 74 ASP C C 74 174.827 174.827 174.165 0.662 18504 8182 1 17 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.851 -0.250 18504 8183 1 17 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.107 0.533 18504 8184 1 17 . 1 1 74 74 ASP H H 74 9.332 9.332 8.436 0.896 18504 8185 1 17 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.485 0.099 18504 8186 1 17 . 1 1 75 75 ILE C C 75 177.411 177.411 174.629 2.782 18504 8187 1 17 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.939 -1.730 18504 8188 1 17 . 1 1 75 75 ILE CB C 75 40.768 40.768 39.084 1.684 18504 8189 1 17 . 1 1 75 75 ILE H H 75 7.501 7.501 8.554 -1.053 18504 8190 1 17 . 1 1 76 76 SER N N 76 117.836 117.836 124.222 -6.386 18504 8191 1 17 . 1 1 76 76 SER HA H 76 5.450 5.450 4.838 0.612 18504 8192 1 17 . 1 1 76 76 SER C C 76 173.767 173.767 174.641 -0.874 18504 8193 1 17 . 1 1 76 76 SER CA C 76 57.758 57.758 57.194 0.564 18504 8194 1 17 . 1 1 76 76 SER CB C 76 64.462 64.462 63.450 1.012 18504 8195 1 17 . 1 1 76 76 SER H H 76 9.050 9.050 8.523 0.527 18504 8196 1 17 . 1 1 77 77 THR N N 77 117.435 117.435 119.138 -1.703 18504 8197 1 17 . 1 1 77 77 THR HA H 77 4.959 4.959 4.187 0.772 18504 8198 1 17 . 1 1 77 77 THR C C 77 172.636 172.636 173.800 -1.164 18504 8199 1 17 . 1 1 77 77 THR CA C 77 58.870 58.870 65.886 -7.016 18504 8200 1 17 . 1 1 77 77 THR CB C 77 69.935 69.935 66.857 3.078 18504 8201 1 17 . 1 1 77 77 THR H H 77 8.601 8.601 8.268 0.333 18504 8202 1 17 . 1 1 78 78 PRO C C 78 179.328 179.328 177.056 2.272 18504 8203 1 17 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.998 -1.515 18504 8204 1 17 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.215 0.947 18504 8205 1 17 . 1 1 79 79 ILE N N 79 120.707 120.707 116.005 4.702 18504 8206 1 17 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.158 0.463 18504 8207 1 17 . 1 1 79 79 ILE C C 79 177.212 177.212 176.328 0.884 18504 8208 1 17 . 1 1 79 79 ILE CA C 79 65.921 65.921 61.867 4.054 18504 8209 1 17 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.691 -0.223 18504 8210 1 17 . 1 1 79 79 ILE H H 79 8.227 8.227 7.763 0.464 18504 8211 1 17 . 1 1 80 80 ASN N N 80 118.168 118.168 115.518 2.650 18504 8212 1 17 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.812 -0.382 18504 8213 1 17 . 1 1 80 80 ASN C C 80 178.172 178.172 173.949 4.223 18504 8214 1 17 . 1 1 80 80 ASN CA C 80 56.763 56.763 53.907 2.856 18504 8215 1 17 . 1 1 80 80 ASN CB C 80 38.087 38.087 40.092 -2.005 18504 8216 1 17 . 1 1 80 80 ASN H H 80 8.466 8.466 8.284 0.182 18504 8217 1 17 . 1 1 81 81 PHE N N 81 129.059 129.059 118.207 10.852 18504 8218 1 17 . 1 1 81 81 PHE C C 81 174.016 174.016 173.473 0.543 18504 8219 1 17 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.449 -2.630 18504 8220 1 17 . 1 1 81 81 PHE CB C 81 39.773 39.773 43.129 -3.356 18504 8221 1 17 . 1 1 81 81 PHE H H 81 9.152 9.152 8.083 1.069 18504 8222 1 17 . 1 1 82 82 LEU N N 82 124.640 124.640 122.595 2.045 18504 8223 1 17 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.687 0.306 18504 8224 1 17 . 1 1 82 82 LEU C C 82 173.695 173.695 174.870 -1.175 18504 8225 1 17 . 1 1 82 82 LEU CA C 82 53.750 53.750 54.479 -0.729 18504 8226 1 17 . 1 1 82 82 LEU CB C 82 44.936 44.936 43.726 1.210 18504 8227 1 17 . 1 1 82 82 LEU H H 82 9.147 9.147 8.398 0.749 18504 8228 1 17 . 1 1 83 83 CYS N N 83 126.066 126.066 124.172 1.894 18504 8229 1 17 . 1 1 83 83 CYS HA H 83 5.238 5.238 5.343 -0.105 18504 8230 1 17 . 1 1 83 83 CYS C C 83 173.733 173.733 173.429 0.304 18504 8231 1 17 . 1 1 83 83 CYS CA C 83 56.361 56.361 55.101 1.260 18504 8232 1 17 . 1 1 83 83 CYS CB C 83 28.374 28.374 29.863 -1.489 18504 8233 1 17 . 1 1 83 83 CYS H H 83 9.065 9.065 8.383 0.682 18504 8234 1 17 . 1 1 84 84 ILE N N 84 126.110 126.110 122.778 3.332 18504 8235 1 17 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.406 -0.047 18504 8236 1 17 . 1 1 84 84 ILE C C 84 174.745 174.745 173.442 1.303 18504 8237 1 17 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.631 -0.112 18504 8238 1 17 . 1 1 84 84 ILE CB C 84 40.358 40.358 41.100 -0.742 18504 8239 1 17 . 1 1 84 84 ILE H H 84 9.426 9.426 8.466 0.960 18504 8240 1 17 . 1 1 85 85 PHE N N 85 126.315 126.315 126.017 0.298 18504 8241 1 17 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.958 0.061 18504 8242 1 17 . 1 1 85 85 PHE C C 85 175.358 175.358 174.761 0.597 18504 8243 1 17 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.887 0.844 18504 8244 1 17 . 1 1 85 85 PHE CB C 85 38.742 38.742 41.737 -2.995 18504 8245 1 17 . 1 1 85 85 PHE H H 85 8.337 8.337 8.145 0.192 18504 8246 1 17 . 1 1 86 86 ILE N N 86 126.561 126.561 125.710 0.851 18504 8247 1 17 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.871 0.032 18504 8248 1 17 . 1 1 86 86 ILE C C 86 173.967 173.967 173.388 0.579 18504 8249 1 17 . 1 1 86 86 ILE CA C 86 55.386 55.386 56.998 -1.613 18504 8250 1 17 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.850 -2.039 18504 8251 1 17 . 1 1 86 86 ILE H H 86 9.161 9.161 9.208 -0.047 18504 8252 1 17 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.766 0.256 18504 8253 1 17 . 1 1 87 87 PRO C C 87 177.938 177.938 175.480 2.458 18504 8254 1 17 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.570 -0.062 18504 8255 1 17 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.471 1.063 18504 8256 1 17 . 1 1 88 88 THR N N 88 113.282 113.282 119.500 -6.218 18504 8257 1 17 . 1 1 88 88 THR HA H 88 4.486 4.486 4.694 -0.208 18504 8258 1 17 . 1 1 88 88 THR C C 88 176.082 176.082 175.223 0.859 18504 8259 1 17 . 1 1 88 88 THR CA C 88 60.306 60.306 59.269 1.037 18504 8260 1 17 . 1 1 88 88 THR CB C 88 66.727 66.727 70.381 -3.654 18504 8261 1 17 . 1 1 88 88 THR H H 88 8.003 8.003 8.262 -0.259 18504 8262 1 17 . 1 1 89 89 LEU N N 89 122.317 122.317 130.896 -8.579 18504 8263 1 17 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.138 -0.129 18504 8264 1 17 . 1 1 89 89 LEU C C 89 175.776 175.776 176.651 -0.875 18504 8265 1 17 . 1 1 89 89 LEU CA C 89 53.969 53.969 56.976 -3.007 18504 8266 1 17 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.695 -0.699 18504 8267 1 17 . 1 1 89 89 LEU H H 89 7.822 7.822 9.116 -1.294 18504 8268 1 17 . 1 1 90 90 PHE N N 90 114.801 114.801 117.058 -2.257 18504 8269 1 17 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.107 1.453 18504 8270 1 17 . 1 1 90 90 PHE C C 90 175.869 175.869 174.342 1.527 18504 8271 1 17 . 1 1 90 90 PHE CA C 90 55.096 55.096 59.153 -4.057 18504 8272 1 17 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.619 1.488 18504 8273 1 17 . 1 1 90 90 PHE H H 90 7.110 7.110 7.671 -0.561 18504 8274 1 17 . 1 1 91 91 ASP N N 91 127.244 127.244 124.920 2.324 18504 8275 1 17 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.565 -0.008 18504 8276 1 17 . 1 1 91 91 ASP C C 91 175.684 175.684 174.714 0.970 18504 8277 1 17 . 1 1 91 91 ASP CA C 91 52.969 52.969 55.259 -2.290 18504 8278 1 17 . 1 1 91 91 ASP CB C 91 42.216 42.216 42.353 -0.137 18504 8279 1 17 . 1 1 91 91 ASP H H 91 9.852 9.852 8.476 1.376 18504 8280 1 17 . 1 1 92 92 MET N N 92 113.730 113.730 121.763 -8.033 18504 8281 1 17 . 1 1 92 92 MET HA H 92 4.278 4.278 4.345 -0.067 18504 8282 1 17 . 1 1 92 92 MET C C 92 177.571 177.571 174.404 3.167 18504 8283 1 17 . 1 1 92 92 MET CA C 92 58.815 58.815 54.506 4.309 18504 8284 1 17 . 1 1 92 92 MET CB C 92 32.010 32.010 32.668 -0.658 18504 8285 1 17 . 1 1 92 92 MET H H 92 8.574 8.574 7.749 0.825 18504 8286 1 17 . 1 1 93 93 ASN N N 93 115.175 115.175 118.058 -2.883 18504 8287 1 17 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.069 0.680 18504 8288 1 17 . 1 1 93 93 ASN C C 93 176.300 176.300 174.505 1.795 18504 8289 1 17 . 1 1 93 93 ASN CA C 93 55.193 55.193 52.950 2.243 18504 8290 1 17 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.464 0.962 18504 8291 1 17 . 1 1 93 93 ASN H H 93 8.576 8.576 7.488 1.088 18504 8292 1 17 . 1 1 94 94 ASN N N 94 119.005 119.005 118.494 0.511 18504 8293 1 17 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.405 0.786 18504 8294 1 17 . 1 1 94 94 ASN C C 94 177.230 177.230 174.413 2.817 18504 8295 1 17 . 1 1 94 94 ASN CA C 94 52.631 52.631 53.836 -1.205 18504 8296 1 17 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.218 0.875 18504 8297 1 17 . 1 1 94 94 ASN H H 94 8.049 8.049 8.074 -0.025 18504 8298 1 17 . 1 1 95 95 MET N N 95 117.771 117.771 116.436 1.335 18504 8299 1 17 . 1 1 95 95 MET HA H 95 4.048 4.048 4.183 -0.135 18504 8300 1 17 . 1 1 95 95 MET C C 95 178.005 178.005 175.162 2.843 18504 8301 1 17 . 1 1 95 95 MET CA C 95 58.275 58.275 55.969 2.306 18504 8302 1 17 . 1 1 95 95 MET CB C 95 32.327 32.327 33.027 -0.700 18504 8303 1 17 . 1 1 95 95 MET H H 95 7.489 7.489 8.258 -0.769 18504 8304 1 17 . 1 1 96 96 ASP N N 96 115.629 115.629 121.105 -5.476 18504 8305 1 17 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.639 -0.036 18504 8306 1 17 . 1 1 96 96 ASP C C 96 175.593 175.593 176.765 -1.172 18504 8307 1 17 . 1 1 96 96 ASP CA C 96 54.940 54.940 55.308 -0.368 18504 8308 1 17 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.474 -2.029 18504 8309 1 17 . 1 1 96 96 ASP H H 96 7.777 7.777 8.452 -0.675 18504 8310 1 17 . 1 1 97 97 LEU N N 97 116.343 116.343 122.655 -6.312 18504 8311 1 17 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.697 -0.080 18504 8312 1 17 . 1 1 97 97 LEU C C 97 174.835 174.835 177.082 -2.247 18504 8313 1 17 . 1 1 97 97 LEU CA C 97 54.433 54.433 53.747 0.686 18504 8314 1 17 . 1 1 97 97 LEU CB C 97 39.082 39.082 40.058 -0.976 18504 8315 1 17 . 1 1 97 97 LEU H H 97 8.027 8.027 8.813 -0.786 18504 8316 1 17 . 1 1 98 98 LEU N N 98 118.769 118.769 123.549 -4.780 18504 8317 1 17 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.165 -0.801 18504 8318 1 17 . 1 1 98 98 LEU C C 98 177.586 177.586 178.266 -0.680 18504 8319 1 17 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.400 0.820 18504 8320 1 17 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.553 -2.453 18504 8321 1 17 . 1 1 98 98 LEU H H 98 7.798 7.798 8.216 -0.418 18504 8322 1 17 . 1 1 99 99 LYS N N 99 117.567 117.567 119.082 -1.515 18504 8323 1 17 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.888 -0.472 18504 8324 1 17 . 1 1 99 99 LYS C C 99 177.639 177.639 178.673 -1.034 18504 8325 1 17 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.299 1.534 18504 8326 1 17 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.739 0.305 18504 8327 1 17 . 1 1 99 99 LYS H H 99 7.603 7.603 8.178 -0.575 18504 8328 1 17 . 1 1 100 100 GLN N N 100 114.564 114.564 118.726 -4.162 18504 8329 1 17 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.139 -0.327 18504 8330 1 17 . 1 1 100 100 GLN C C 100 178.165 178.165 177.766 0.399 18504 8331 1 17 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.944 -0.160 18504 8332 1 17 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.706 -1.223 18504 8333 1 17 . 1 1 100 100 GLN H H 100 7.625 7.625 7.519 0.106 18504 8334 1 17 . 1 1 101 101 ALA N N 101 121.499 121.499 121.898 -0.399 18504 8335 1 17 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.076 -0.788 18504 8336 1 17 . 1 1 101 101 ALA C C 101 178.865 178.865 179.896 -1.031 18504 8337 1 17 . 1 1 101 101 ALA CA C 101 54.964 54.964 55.049 -0.085 18504 8338 1 17 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.228 -0.367 18504 8339 1 17 . 1 1 101 101 ALA H H 101 7.355 7.355 8.267 -0.912 18504 8340 1 17 . 1 1 102 102 LEU N N 102 115.061 115.061 115.671 -0.610 18504 8341 1 17 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.185 0.581 18504 8342 1 17 . 1 1 102 102 LEU C C 102 179.324 179.324 178.614 0.710 18504 8343 1 17 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.930 -0.434 18504 8344 1 17 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.369 0.359 18504 8345 1 17 . 1 1 102 102 LEU H H 102 7.941 7.941 7.796 0.145 18504 8346 1 17 . 1 1 103 103 LEU N N 103 115.920 115.920 118.001 -2.081 18504 8347 1 17 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.303 0.534 18504 8348 1 17 . 1 1 103 103 LEU C C 103 178.500 178.500 178.631 -0.131 18504 8349 1 17 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.620 -2.731 18504 8350 1 17 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.288 2.478 18504 8351 1 17 . 1 1 103 103 LEU H H 103 8.266 8.266 7.639 0.627 18504 8352 1 17 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.089 0.546 18504 8353 1 17 . 1 1 105 105 LEU C C 105 175.743 175.743 178.557 -2.814 18504 8354 1 17 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.115 -0.018 18504 8355 1 17 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.925 -2.147 18504 8356 1 17 . 1 1 106 106 HIS N N 106 122.167 122.167 119.109 3.058 18504 8357 1 17 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.295 -0.029 18504 8358 1 17 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.054 -2.940 18504 8359 1 17 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.766 0.359 18504 8360 1 17 . 1 1 106 106 HIS H H 106 8.252 8.252 8.244 0.008 18504 8361 1 17 . 1 1 107 107 ASN C C 107 179.694 179.694 177.585 2.109 18504 8362 1 17 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.477 1.854 18504 8363 1 17 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.301 3.696 18504 8364 1 17 . 1 1 108 108 ASP N N 108 122.462 122.462 120.052 2.410 18504 8365 1 17 . 1 1 108 108 ASP C C 108 179.328 179.328 177.928 1.400 18504 8366 1 17 . 1 1 108 108 ASP CA C 108 57.689 57.689 57.239 0.450 18504 8367 1 17 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.805 1.235 18504 8368 1 17 . 1 1 108 108 ASP H H 108 8.174 8.174 7.885 0.289 18504 8369 1 17 . 1 1 109 109 LEU N N 109 115.664 115.664 118.770 -3.106 18504 8370 1 17 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.029 0.823 18504 8371 1 17 . 1 1 109 109 LEU C C 109 178.510 178.510 178.109 0.401 18504 8372 1 17 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.905 -1.751 18504 8373 1 17 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.049 2.099 18504 8374 1 17 . 1 1 109 109 LEU H H 109 8.380 8.380 7.726 0.654 18504 8375 1 17 . 1 1 110 110 HIS N N 110 118.905 118.905 116.505 2.400 18504 8376 1 17 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.198 -0.288 18504 8377 1 17 . 1 1 110 110 HIS C C 110 176.152 176.152 176.968 -0.816 18504 8378 1 17 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.083 2.929 18504 8379 1 17 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.998 -1.886 18504 8380 1 17 . 1 1 110 110 HIS H H 110 8.518 8.518 8.191 0.327 18504 8381 1 17 . 1 1 111 111 GLU N N 111 117.923 117.923 117.603 0.320 18504 8382 1 17 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.171 -0.440 18504 8383 1 17 . 1 1 111 111 GLU C C 111 176.596 176.596 176.844 -0.248 18504 8384 1 17 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.563 -0.169 18504 8385 1 17 . 1 1 111 111 GLU CB C 111 29.044 29.044 30.950 -1.906 18504 8386 1 17 . 1 1 111 111 GLU H H 111 8.018 8.018 7.818 0.200 18504 8387 1 17 . 1 1 112 112 TYR N N 112 114.607 114.607 114.460 0.147 18504 8388 1 17 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.410 0.027 18504 8389 1 17 . 1 1 112 112 TYR C C 112 174.448 174.448 174.807 -0.359 18504 8390 1 17 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.347 -1.575 18504 8391 1 17 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.624 -0.637 18504 8392 1 17 . 1 1 112 112 TYR H H 112 7.905 7.905 7.621 0.284 18504 8393 1 17 . 1 1 113 113 VAL N N 113 118.003 118.003 121.988 -3.985 18504 8394 1 17 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.614 0.492 18504 8395 1 17 . 1 1 113 113 VAL C C 113 175.134 175.134 173.844 1.290 18504 8396 1 17 . 1 1 113 113 VAL CA C 113 62.687 62.687 62.764 -0.077 18504 8397 1 17 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.043 3.185 18504 8398 1 17 . 1 1 113 113 VAL H H 113 6.976 6.976 8.545 -1.569 18504 8399 1 18 . 1 1 27 27 SER HA H 27 4.339 4.339 4.504 -0.165 18504 8400 1 18 . 1 1 27 27 SER C C 27 175.743 175.743 172.374 3.369 18504 8401 1 18 . 1 1 27 27 SER CA C 27 60.497 60.497 58.210 2.287 18504 8402 1 18 . 1 1 27 27 SER CB C 27 63.659 63.659 63.098 0.561 18504 8403 1 18 . 1 1 28 28 LYS N N 28 118.099 118.099 126.020 -7.921 18504 8404 1 18 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.388 0.830 18504 8405 1 18 . 1 1 28 28 LYS C C 28 175.699 175.699 175.851 -0.152 18504 8406 1 18 . 1 1 28 28 LYS CA C 28 55.545 55.545 56.521 -0.976 18504 8407 1 18 . 1 1 28 28 LYS CB C 28 35.913 35.913 32.929 2.984 18504 8408 1 18 . 1 1 28 28 LYS H H 28 7.785 7.785 8.389 -0.604 18504 8409 1 18 . 1 1 29 29 GLN N N 29 122.481 122.481 126.749 -4.268 18504 8410 1 18 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.541 0.197 18504 8411 1 18 . 1 1 29 29 GLN C C 29 174.277 174.277 173.780 0.497 18504 8412 1 18 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.638 0.887 18504 8413 1 18 . 1 1 29 29 GLN CB C 29 32.870 32.870 32.559 0.311 18504 8414 1 18 . 1 1 29 29 GLN H H 29 9.283 9.283 8.336 0.947 18504 8415 1 18 . 1 1 30 30 GLU N N 30 122.881 122.881 122.469 0.412 18504 8416 1 18 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.668 -0.392 18504 8417 1 18 . 1 1 30 30 GLU C C 30 173.313 173.313 174.562 -1.249 18504 8418 1 18 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.598 1.356 18504 8419 1 18 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.881 -0.827 18504 8420 1 18 . 1 1 30 30 GLU H H 30 9.188 9.188 8.464 0.724 18504 8421 1 18 . 1 1 31 31 LEU N N 31 130.328 130.328 124.617 5.711 18504 8422 1 18 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.560 -0.267 18504 8423 1 18 . 1 1 31 31 LEU C C 31 171.909 171.909 175.892 -3.983 18504 8424 1 18 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.908 -0.627 18504 8425 1 18 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.274 -1.824 18504 8426 1 18 . 1 1 31 31 LEU H H 31 9.016 9.016 8.060 0.956 18504 8427 1 18 . 1 1 32 32 ILE N N 32 120.632 120.632 121.683 -1.051 18504 8428 1 18 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.294 1.234 18504 8429 1 18 . 1 1 32 32 ILE C C 32 175.735 175.735 175.630 0.105 18504 8430 1 18 . 1 1 32 32 ILE CA C 32 59.224 59.224 58.924 0.300 18504 8431 1 18 . 1 1 32 32 ILE CB C 32 36.625 36.625 37.248 -0.623 18504 8432 1 18 . 1 1 32 32 ILE H H 32 8.738 8.738 8.352 0.386 18504 8433 1 18 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.640 -0.643 18504 8434 1 18 . 1 1 33 33 LEU C C 33 180.030 180.030 174.830 5.200 18504 8435 1 18 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.828 4.505 18504 8436 1 18 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.870 -4.437 18504 8437 1 18 . 1 1 34 34 VAL N N 34 124.025 124.025 119.690 4.335 18504 8438 1 18 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.433 -0.816 18504 8439 1 18 . 1 1 34 34 VAL C C 34 178.222 178.222 174.403 3.819 18504 8440 1 18 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.715 4.407 18504 8441 1 18 . 1 1 34 34 VAL CB C 34 37.942 37.942 34.093 3.849 18504 8442 1 18 . 1 1 34 34 VAL H H 34 7.751 7.751 8.543 -0.792 18504 8443 1 18 . 1 1 35 35 LEU N N 35 120.009 120.009 128.380 -8.371 18504 8444 1 18 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.603 -0.327 18504 8445 1 18 . 1 1 35 35 LEU C C 35 175.855 175.855 175.563 0.292 18504 8446 1 18 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.920 3.455 18504 8447 1 18 . 1 1 35 35 LEU CB C 35 43.089 43.089 40.737 2.352 18504 8448 1 18 . 1 1 35 35 LEU H H 35 7.532 7.532 8.443 -0.911 18504 8449 1 18 . 1 1 36 36 LYS N N 36 115.805 115.805 123.964 -8.159 18504 8450 1 18 . 1 1 36 36 LYS C C 36 178.903 178.903 176.850 2.053 18504 8451 1 18 . 1 1 36 36 LYS CA C 36 58.347 58.347 55.469 2.878 18504 8452 1 18 . 1 1 36 36 LYS CB C 36 32.903 32.903 35.142 -2.239 18504 8453 1 18 . 1 1 36 36 LYS H H 36 7.501 7.501 8.168 -0.667 18504 8454 1 18 . 1 1 37 37 GLY N N 37 110.626 110.626 109.998 0.628 18504 8455 1 18 . 1 1 37 37 GLY C C 37 174.865 174.865 173.947 0.918 18504 8456 1 18 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.064 2.402 18504 8457 1 18 . 1 1 37 37 GLY H H 37 8.811 8.811 8.208 0.603 18504 8458 1 18 . 1 1 38 38 GLU N N 38 116.098 116.098 121.869 -5.771 18504 8459 1 18 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.475 -0.173 18504 8460 1 18 . 1 1 38 38 GLU C C 38 176.681 176.681 175.533 1.148 18504 8461 1 18 . 1 1 38 38 GLU CA C 38 57.184 57.184 55.255 1.929 18504 8462 1 18 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.516 -1.687 18504 8463 1 18 . 1 1 38 38 GLU H H 38 8.763 8.763 8.253 0.510 18504 8464 1 18 . 1 1 39 39 LEU N N 39 119.439 119.439 126.639 -7.200 18504 8465 1 18 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.239 0.027 18504 8466 1 18 . 1 1 39 39 LEU C C 39 176.016 176.016 176.293 -0.277 18504 8467 1 18 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.804 -1.079 18504 8468 1 18 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.136 1.466 18504 8469 1 18 . 1 1 39 39 LEU H H 39 7.167 7.167 8.531 -1.364 18504 8470 1 18 . 1 1 40 40 ASP N N 40 120.105 120.105 125.129 -5.024 18504 8471 1 18 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.890 -0.162 18504 8472 1 18 . 1 1 40 40 ASP C C 40 178.198 178.198 175.273 2.925 18504 8473 1 18 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.629 -1.439 18504 8474 1 18 . 1 1 40 40 ASP CB C 40 40.557 40.557 43.502 -2.945 18504 8475 1 18 . 1 1 40 40 ASP H H 40 8.596 8.596 8.367 0.229 18504 8476 1 18 . 1 1 41 41 LEU N N 41 125.023 125.023 120.578 4.445 18504 8477 1 18 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.517 -0.764 18504 8478 1 18 . 1 1 41 41 LEU C C 41 175.113 175.113 177.356 -2.243 18504 8479 1 18 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.113 1.554 18504 8480 1 18 . 1 1 41 41 LEU CB C 41 39.849 39.849 42.458 -2.609 18504 8481 1 18 . 1 1 41 41 LEU H H 41 9.029 9.029 8.168 0.861 18504 8482 1 18 . 1 1 42 42 HIS N N 42 113.184 113.184 117.544 -4.360 18504 8483 1 18 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.431 0.093 18504 8484 1 18 . 1 1 42 42 HIS C C 42 175.855 175.855 175.658 0.197 18504 8485 1 18 . 1 1 42 42 HIS CA C 42 55.916 55.916 57.115 -1.199 18504 8486 1 18 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.481 -0.344 18504 8487 1 18 . 1 1 42 42 HIS H H 42 8.065 8.065 8.318 -0.253 18504 8488 1 18 . 1 1 43 43 SER N N 43 116.013 116.013 113.578 2.435 18504 8489 1 18 . 1 1 43 43 SER HA H 43 4.524 4.524 4.353 0.171 18504 8490 1 18 . 1 1 43 43 SER C C 43 174.426 174.426 174.815 -0.389 18504 8491 1 18 . 1 1 43 43 SER CA C 43 58.206 58.206 57.965 0.241 18504 8492 1 18 . 1 1 43 43 SER CB C 43 65.517 65.517 63.832 1.685 18504 8493 1 18 . 1 1 43 43 SER H H 43 7.511 7.511 8.391 -0.880 18504 8494 1 18 . 1 1 44 44 LYS N N 44 123.332 123.332 125.163 -1.831 18504 8495 1 18 . 1 1 44 44 LYS C C 44 177.791 177.791 177.423 0.368 18504 8496 1 18 . 1 1 44 44 LYS CA C 44 59.456 59.456 57.335 2.121 18504 8497 1 18 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.347 -2.175 18504 8498 1 18 . 1 1 44 44 LYS H H 44 8.846 8.846 8.730 0.116 18504 8499 1 18 . 1 1 45 45 ASN N N 45 118.501 118.501 119.158 -0.657 18504 8500 1 18 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.435 0.035 18504 8501 1 18 . 1 1 45 45 ASN C C 45 177.817 177.817 177.092 0.725 18504 8502 1 18 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.485 0.443 18504 8503 1 18 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.436 -0.032 18504 8504 1 18 . 1 1 45 45 ASN H H 45 8.545 8.545 8.099 0.446 18504 8505 1 18 . 1 1 46 46 MET N N 46 116.171 116.171 117.036 -0.865 18504 8506 1 18 . 1 1 46 46 MET HA H 46 4.471 4.471 4.406 0.065 18504 8507 1 18 . 1 1 46 46 MET C C 46 178.964 178.964 178.118 0.846 18504 8508 1 18 . 1 1 46 46 MET CA C 46 55.467 55.467 59.481 -4.014 18504 8509 1 18 . 1 1 46 46 MET CB C 46 29.707 29.707 32.054 -2.347 18504 8510 1 18 . 1 1 46 46 MET H H 46 7.379 7.379 7.704 -0.325 18504 8511 1 18 . 1 1 47 47 LYS N N 47 121.054 121.054 119.310 1.744 18504 8512 1 18 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.030 -0.146 18504 8513 1 18 . 1 1 47 47 LYS C C 47 179.310 179.310 178.711 0.599 18504 8514 1 18 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.254 1.085 18504 8515 1 18 . 1 1 47 47 LYS CB C 47 31.750 31.750 32.052 -0.302 18504 8516 1 18 . 1 1 47 47 LYS H H 47 8.450 8.450 8.308 0.142 18504 8517 1 18 . 1 1 48 48 ASN N N 48 117.137 117.137 118.591 -1.454 18504 8518 1 18 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.522 -0.641 18504 8519 1 18 . 1 1 48 48 ASN C C 48 177.733 177.733 177.505 0.228 18504 8520 1 18 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.009 0.531 18504 8521 1 18 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.277 0.056 18504 8522 1 18 . 1 1 48 48 ASN H H 48 7.896 7.896 7.907 -0.011 18504 8523 1 18 . 1 1 49 49 VAL N N 49 121.225 121.225 120.669 0.556 18504 8524 1 18 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.551 0.128 18504 8525 1 18 . 1 1 49 49 VAL C C 49 176.675 176.675 177.163 -0.488 18504 8526 1 18 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.994 -0.560 18504 8527 1 18 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.393 0.676 18504 8528 1 18 . 1 1 49 49 VAL H H 49 7.869 7.869 7.732 0.137 18504 8529 1 18 . 1 1 50 50 ILE N N 50 120.523 120.523 118.786 1.737 18504 8530 1 18 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.367 0.883 18504 8531 1 18 . 1 1 50 50 ILE C C 50 179.831 179.831 177.406 2.425 18504 8532 1 18 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.660 -6.720 18504 8533 1 18 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.717 2.395 18504 8534 1 18 . 1 1 50 50 ILE H H 50 8.093 8.093 7.429 0.664 18504 8535 1 18 . 1 1 51 51 ASN N N 51 117.280 117.280 118.162 -0.882 18504 8536 1 18 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.470 -0.451 18504 8537 1 18 . 1 1 51 51 ASN C C 51 178.496 178.496 177.530 0.966 18504 8538 1 18 . 1 1 51 51 ASN CA C 51 56.612 56.612 55.943 0.669 18504 8539 1 18 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.140 0.215 18504 8540 1 18 . 1 1 51 51 ASN H H 51 7.953 7.953 7.687 0.266 18504 8541 1 18 . 1 1 52 52 ASN N N 52 118.893 118.893 119.372 -0.479 18504 8542 1 18 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.431 -0.016 18504 8543 1 18 . 1 1 52 52 ASN C C 52 176.434 176.434 177.159 -0.725 18504 8544 1 18 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.948 -0.178 18504 8545 1 18 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.661 -0.308 18504 8546 1 18 . 1 1 52 52 ASN H H 52 8.347 8.347 8.305 0.042 18504 8547 1 18 . 1 1 53 53 ALA N N 53 122.291 122.291 122.208 0.083 18504 8548 1 18 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.082 0.432 18504 8549 1 18 . 1 1 53 53 ALA C C 53 180.689 180.689 179.372 1.317 18504 8550 1 18 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.153 -0.252 18504 8551 1 18 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.173 -0.272 18504 8552 1 18 . 1 1 53 53 ALA H H 53 7.706 7.706 8.769 -1.063 18504 8553 1 18 . 1 1 54 54 LYS N N 54 119.091 119.091 118.655 0.436 18504 8554 1 18 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.166 -0.329 18504 8555 1 18 . 1 1 54 54 LYS C C 54 178.066 178.066 178.641 -0.575 18504 8556 1 18 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.103 1.203 18504 8557 1 18 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.372 -0.284 18504 8558 1 18 . 1 1 54 54 LYS H H 54 8.375 8.375 7.482 0.893 18504 8559 1 18 . 1 1 55 55 LYS N N 55 119.370 119.370 118.758 0.612 18504 8560 1 18 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.958 -0.085 18504 8561 1 18 . 1 1 55 55 LYS C C 55 179.819 179.819 179.031 0.788 18504 8562 1 18 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.937 0.349 18504 8563 1 18 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.261 -0.271 18504 8564 1 18 . 1 1 55 55 LYS H H 55 8.259 8.259 8.100 0.159 18504 8565 1 18 . 1 1 56 56 ASN N N 56 119.303 119.303 118.331 0.972 18504 8566 1 18 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.415 -0.006 18504 8567 1 18 . 1 1 56 56 ASN C C 56 178.899 178.899 177.569 1.330 18504 8568 1 18 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.749 -0.009 18504 8569 1 18 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.317 -1.214 18504 8570 1 18 . 1 1 56 56 ASN H H 56 8.235 8.235 8.261 -0.026 18504 8571 1 18 . 1 1 57 57 LEU N N 57 123.252 123.252 121.907 1.345 18504 8572 1 18 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.146 0.536 18504 8573 1 18 . 1 1 57 57 LEU C C 57 178.541 178.541 179.206 -0.665 18504 8574 1 18 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.704 -0.505 18504 8575 1 18 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.040 0.586 18504 8576 1 18 . 1 1 57 57 LEU H H 57 8.210 8.210 7.879 0.331 18504 8577 1 18 . 1 1 58 58 GLU N N 58 118.795 118.795 116.763 2.032 18504 8578 1 18 . 1 1 58 58 GLU HA H 58 4.003 4.003 2.207 1.796 18504 8579 1 18 . 1 1 58 58 GLU C C 58 177.333 177.333 178.604 -1.271 18504 8580 1 18 . 1 1 58 58 GLU CA C 58 61.145 61.145 58.940 2.205 18504 8581 1 18 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.872 1.440 18504 8582 1 18 . 1 1 58 58 GLU H H 58 8.846 8.846 7.972 0.874 18504 8583 1 18 . 1 1 59 59 LYS N N 59 118.325 118.325 118.647 -0.322 18504 8584 1 18 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.832 0.643 18504 8585 1 18 . 1 1 59 59 LYS C C 59 178.428 178.428 178.153 0.275 18504 8586 1 18 . 1 1 59 59 LYS CA C 59 60.145 60.145 58.513 1.632 18504 8587 1 18 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.873 0.814 18504 8588 1 18 . 1 1 59 59 LYS H H 59 8.373 8.373 7.713 0.660 18504 8589 1 18 . 1 1 60 60 TYR N N 60 119.345 119.345 116.603 2.742 18504 8590 1 18 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.236 0.091 18504 8591 1 18 . 1 1 60 60 TYR C C 60 178.899 178.899 177.983 0.916 18504 8592 1 18 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.844 1.550 18504 8593 1 18 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.951 -0.657 18504 8594 1 18 . 1 1 60 60 TYR H H 60 7.532 7.532 7.476 0.056 18504 8595 1 18 . 1 1 61 61 PHE N N 61 118.931 118.931 115.534 3.397 18504 8596 1 18 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.820 -0.492 18504 8597 1 18 . 1 1 61 61 PHE C C 61 178.450 178.450 176.978 1.472 18504 8598 1 18 . 1 1 61 61 PHE CA C 61 62.394 62.394 58.418 3.976 18504 8599 1 18 . 1 1 61 61 PHE CB C 61 37.923 37.923 38.827 -0.903 18504 8600 1 18 . 1 1 61 61 PHE H H 61 8.607 8.607 7.709 0.898 18504 8601 1 18 . 1 1 62 62 LYS N N 62 118.337 118.337 120.230 -1.893 18504 8602 1 18 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.123 0.179 18504 8603 1 18 . 1 1 62 62 LYS C C 62 178.333 178.333 178.068 0.265 18504 8604 1 18 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.893 0.418 18504 8605 1 18 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.434 0.415 18504 8606 1 18 . 1 1 62 62 LYS H H 62 8.615 8.615 7.838 0.777 18504 8607 1 18 . 1 1 63 63 GLU N N 63 116.360 116.360 116.676 -0.316 18504 8608 1 18 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.278 -0.352 18504 8609 1 18 . 1 1 63 63 GLU C C 63 177.317 177.317 177.399 -0.082 18504 8610 1 18 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.735 0.581 18504 8611 1 18 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.121 -0.765 18504 8612 1 18 . 1 1 63 63 GLU H H 63 7.547 7.547 7.617 -0.070 18504 8613 1 18 . 1 1 64 64 HIS N N 64 113.580 113.580 117.423 -3.843 18504 8614 1 18 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.632 -0.211 18504 8615 1 18 . 1 1 64 64 HIS C C 64 173.911 173.911 174.182 -0.271 18504 8616 1 18 . 1 1 64 64 HIS CA C 64 58.082 58.082 54.730 3.352 18504 8617 1 18 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.366 1.469 18504 8618 1 18 . 1 1 64 64 HIS H H 64 7.013 7.013 7.357 -0.344 18504 8619 1 18 . 1 1 65 65 PHE N N 65 119.434 119.434 118.573 0.861 18504 8620 1 18 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.413 0.523 18504 8621 1 18 . 1 1 65 65 PHE C C 65 175.232 175.232 175.092 0.140 18504 8622 1 18 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.105 -1.882 18504 8623 1 18 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.918 2.444 18504 8624 1 18 . 1 1 65 65 PHE H H 65 8.340 8.340 7.906 0.434 18504 8625 1 18 . 1 1 66 66 LYS N N 66 123.217 123.217 122.832 0.385 18504 8626 1 18 . 1 1 66 66 LYS HA H 66 4.288 4.288 3.970 0.318 18504 8627 1 18 . 1 1 66 66 LYS C C 66 177.685 177.685 174.931 2.754 18504 8628 1 18 . 1 1 66 66 LYS CA C 66 58.798 58.798 57.608 1.190 18504 8629 1 18 . 1 1 66 66 LYS CB C 66 32.473 32.473 33.012 -0.539 18504 8630 1 18 . 1 1 66 66 LYS H H 66 8.590 8.590 8.214 0.376 18504 8631 1 18 . 1 1 67 67 GLU N N 67 117.085 117.085 119.249 -2.164 18504 8632 1 18 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.287 0.074 18504 8633 1 18 . 1 1 67 67 GLU C C 67 175.770 175.770 175.012 0.758 18504 8634 1 18 . 1 1 67 67 GLU CA C 67 56.364 56.364 55.428 0.936 18504 8635 1 18 . 1 1 67 67 GLU CB C 67 29.103 29.103 32.224 -3.121 18504 8636 1 18 . 1 1 67 67 GLU H H 67 8.969 8.969 8.178 0.791 18504 8637 1 18 . 1 1 68 68 PHE N N 68 121.127 121.127 122.025 -0.898 18504 8638 1 18 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.866 -0.594 18504 8639 1 18 . 1 1 68 68 PHE C C 68 173.621 173.621 174.251 -0.630 18504 8640 1 18 . 1 1 68 68 PHE CA C 68 59.096 59.096 56.609 2.487 18504 8641 1 18 . 1 1 68 68 PHE CB C 68 40.772 40.772 39.608 1.164 18504 8642 1 18 . 1 1 68 68 PHE H H 68 7.752 7.752 8.325 -0.573 18504 8643 1 18 . 1 1 69 69 ASP N N 69 125.720 125.720 120.161 5.559 18504 8644 1 18 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.689 -0.086 18504 8645 1 18 . 1 1 69 69 ASP C C 69 173.387 173.387 174.309 -0.922 18504 8646 1 18 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.064 0.817 18504 8647 1 18 . 1 1 69 69 ASP CB C 69 41.806 41.806 43.310 -1.504 18504 8648 1 18 . 1 1 69 69 ASP H H 69 7.767 7.767 8.230 -0.463 18504 8649 1 18 . 1 1 70 70 LYS N N 70 115.004 115.004 120.013 -5.009 18504 8650 1 18 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.654 -0.205 18504 8651 1 18 . 1 1 70 70 LYS C C 70 175.841 175.841 174.873 0.968 18504 8652 1 18 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.795 0.691 18504 8653 1 18 . 1 1 70 70 LYS CB C 70 34.781 34.781 36.805 -2.024 18504 8654 1 18 . 1 1 70 70 LYS H H 70 7.305 7.305 8.330 -1.025 18504 8655 1 18 . 1 1 71 71 ILE N N 71 122.809 122.809 118.983 3.826 18504 8656 1 18 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.333 0.376 18504 8657 1 18 . 1 1 71 71 ILE C C 71 175.120 175.120 174.612 0.508 18504 8658 1 18 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.339 -1.087 18504 8659 1 18 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.861 -1.559 18504 8660 1 18 . 1 1 71 71 ILE H H 71 9.522 9.522 8.399 1.123 18504 8661 1 18 . 1 1 72 72 SER N N 72 121.741 121.741 120.031 1.710 18504 8662 1 18 . 1 1 72 72 SER HA H 72 4.920 4.920 5.035 -0.115 18504 8663 1 18 . 1 1 72 72 SER C C 72 172.157 172.157 172.738 -0.581 18504 8664 1 18 . 1 1 72 72 SER CA C 72 57.730 57.730 56.717 1.013 18504 8665 1 18 . 1 1 72 72 SER CB C 72 65.634 65.634 66.051 -0.417 18504 8666 1 18 . 1 1 72 72 SER H H 72 8.760 8.760 8.351 0.409 18504 8667 1 18 . 1 1 73 73 TYR N N 73 118.245 118.245 117.717 0.528 18504 8668 1 18 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.951 0.770 18504 8669 1 18 . 1 1 73 73 TYR C C 73 173.231 173.231 173.266 -0.035 18504 8670 1 18 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.072 -0.842 18504 8671 1 18 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.776 1.607 18504 8672 1 18 . 1 1 73 73 TYR H H 73 8.275 8.275 8.475 -0.200 18504 8673 1 18 . 1 1 74 74 ASP N N 74 120.379 120.379 119.814 0.565 18504 8674 1 18 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.645 0.410 18504 8675 1 18 . 1 1 74 74 ASP C C 74 174.827 174.827 173.970 0.857 18504 8676 1 18 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.001 0.600 18504 8677 1 18 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.714 0.926 18504 8678 1 18 . 1 1 74 74 ASP H H 74 9.332 9.332 8.471 0.861 18504 8679 1 18 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.250 0.334 18504 8680 1 18 . 1 1 75 75 ILE C C 75 177.411 177.411 175.201 2.210 18504 8681 1 18 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.903 -1.694 18504 8682 1 18 . 1 1 75 75 ILE CB C 75 40.768 40.768 39.533 1.235 18504 8683 1 18 . 1 1 75 75 ILE H H 75 7.501 7.501 8.246 -0.745 18504 8684 1 18 . 1 1 76 76 SER N N 76 117.836 117.836 124.752 -6.916 18504 8685 1 18 . 1 1 76 76 SER HA H 76 5.450 5.450 4.756 0.694 18504 8686 1 18 . 1 1 76 76 SER C C 76 173.767 173.767 173.904 -0.137 18504 8687 1 18 . 1 1 76 76 SER CA C 76 57.758 57.758 58.120 -0.362 18504 8688 1 18 . 1 1 76 76 SER CB C 76 64.462 64.462 63.507 0.955 18504 8689 1 18 . 1 1 76 76 SER H H 76 9.050 9.050 8.401 0.649 18504 8690 1 18 . 1 1 77 77 THR N N 77 117.435 117.435 120.825 -3.390 18504 8691 1 18 . 1 1 77 77 THR HA H 77 4.959 4.959 4.011 0.948 18504 8692 1 18 . 1 1 77 77 THR C C 77 172.636 172.636 172.905 -0.269 18504 8693 1 18 . 1 1 77 77 THR CA C 77 58.870 58.870 61.811 -2.941 18504 8694 1 18 . 1 1 77 77 THR CB C 77 69.935 69.935 67.825 2.110 18504 8695 1 18 . 1 1 77 77 THR H H 77 8.601 8.601 8.260 0.341 18504 8696 1 18 . 1 1 78 78 PRO C C 78 179.328 179.328 176.158 3.170 18504 8697 1 18 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.412 -0.929 18504 8698 1 18 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.955 0.207 18504 8699 1 18 . 1 1 79 79 ILE N N 79 120.707 120.707 115.697 5.010 18504 8700 1 18 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.193 0.428 18504 8701 1 18 . 1 1 79 79 ILE C C 79 177.212 177.212 173.693 3.519 18504 8702 1 18 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.482 5.439 18504 8703 1 18 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.458 0.010 18504 8704 1 18 . 1 1 79 79 ILE H H 79 8.227 8.227 7.409 0.818 18504 8705 1 18 . 1 1 80 80 ASN N N 80 118.168 118.168 122.761 -4.593 18504 8706 1 18 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.516 -0.086 18504 8707 1 18 . 1 1 80 80 ASN C C 80 178.172 178.172 173.384 4.788 18504 8708 1 18 . 1 1 80 80 ASN CA C 80 56.763 56.763 53.096 3.667 18504 8709 1 18 . 1 1 80 80 ASN CB C 80 38.087 38.087 39.863 -1.776 18504 8710 1 18 . 1 1 80 80 ASN H H 80 8.466 8.466 8.049 0.417 18504 8711 1 18 . 1 1 81 81 PHE N N 81 129.059 129.059 117.409 11.650 18504 8712 1 18 . 1 1 81 81 PHE C C 81 174.016 174.016 173.830 0.186 18504 8713 1 18 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.584 -1.765 18504 8714 1 18 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.282 -2.509 18504 8715 1 18 . 1 1 81 81 PHE H H 81 9.152 9.152 7.740 1.412 18504 8716 1 18 . 1 1 82 82 LEU N N 82 124.640 124.640 119.670 4.970 18504 8717 1 18 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.758 0.234 18504 8718 1 18 . 1 1 82 82 LEU C C 82 173.695 173.695 175.219 -1.524 18504 8719 1 18 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.809 -0.058 18504 8720 1 18 . 1 1 82 82 LEU CB C 82 44.936 44.936 44.004 0.932 18504 8721 1 18 . 1 1 82 82 LEU H H 82 9.147 9.147 8.443 0.704 18504 8722 1 18 . 1 1 83 83 CYS N N 83 126.066 126.066 123.881 2.185 18504 8723 1 18 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.662 0.576 18504 8724 1 18 . 1 1 83 83 CYS C C 83 173.733 173.733 173.211 0.522 18504 8725 1 18 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.579 -1.218 18504 8726 1 18 . 1 1 83 83 CYS CB C 83 28.374 28.374 29.125 -0.751 18504 8727 1 18 . 1 1 83 83 CYS H H 83 9.065 9.065 8.444 0.621 18504 8728 1 18 . 1 1 84 84 ILE N N 84 126.110 126.110 128.389 -2.279 18504 8729 1 18 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.342 0.017 18504 8730 1 18 . 1 1 84 84 ILE C C 84 174.745 174.745 173.690 1.055 18504 8731 1 18 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.566 -0.046 18504 8732 1 18 . 1 1 84 84 ILE CB C 84 40.358 40.358 39.425 0.933 18504 8733 1 18 . 1 1 84 84 ILE H H 84 9.426 9.426 8.782 0.644 18504 8734 1 18 . 1 1 85 85 PHE N N 85 126.315 126.315 126.587 -0.272 18504 8735 1 18 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.902 0.117 18504 8736 1 18 . 1 1 85 85 PHE C C 85 175.358 175.358 174.964 0.394 18504 8737 1 18 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.546 1.185 18504 8738 1 18 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.391 -1.649 18504 8739 1 18 . 1 1 85 85 PHE H H 85 8.337 8.337 8.215 0.122 18504 8740 1 18 . 1 1 86 86 ILE N N 86 126.561 126.561 125.277 1.284 18504 8741 1 18 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.804 0.099 18504 8742 1 18 . 1 1 86 86 ILE C C 86 173.967 173.967 173.476 0.491 18504 8743 1 18 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.172 -1.786 18504 8744 1 18 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.686 -1.875 18504 8745 1 18 . 1 1 86 86 ILE H H 86 9.161 9.161 8.673 0.488 18504 8746 1 18 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.780 0.242 18504 8747 1 18 . 1 1 87 87 PRO C C 87 177.938 177.938 175.468 2.470 18504 8748 1 18 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.390 0.118 18504 8749 1 18 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.710 0.824 18504 8750 1 18 . 1 1 88 88 THR N N 88 113.282 113.282 119.193 -5.911 18504 8751 1 18 . 1 1 88 88 THR HA H 88 4.486 4.486 4.747 -0.261 18504 8752 1 18 . 1 1 88 88 THR C C 88 176.082 176.082 172.779 3.303 18504 8753 1 18 . 1 1 88 88 THR CA C 88 60.306 60.306 59.646 0.660 18504 8754 1 18 . 1 1 88 88 THR CB C 88 66.727 66.727 71.086 -4.359 18504 8755 1 18 . 1 1 88 88 THR H H 88 8.003 8.003 8.221 -0.218 18504 8756 1 18 . 1 1 89 89 LEU N N 89 122.317 122.317 128.114 -5.797 18504 8757 1 18 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.871 -0.862 18504 8758 1 18 . 1 1 89 89 LEU C C 89 175.776 175.776 176.429 -0.653 18504 8759 1 18 . 1 1 89 89 LEU CA C 89 53.969 53.969 52.645 1.324 18504 8760 1 18 . 1 1 89 89 LEU CB C 89 41.996 41.996 40.542 1.454 18504 8761 1 18 . 1 1 89 89 LEU H H 89 7.822 7.822 8.707 -0.885 18504 8762 1 18 . 1 1 90 90 PHE N N 90 114.801 114.801 121.859 -7.058 18504 8763 1 18 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.440 1.120 18504 8764 1 18 . 1 1 90 90 PHE C C 90 175.869 175.869 175.020 0.849 18504 8765 1 18 . 1 1 90 90 PHE CA C 90 55.096 55.096 56.333 -1.237 18504 8766 1 18 . 1 1 90 90 PHE CB C 90 40.107 40.107 37.529 2.578 18504 8767 1 18 . 1 1 90 90 PHE H H 90 7.110 7.110 8.737 -1.627 18504 8768 1 18 . 1 1 91 91 ASP N N 91 127.244 127.244 122.779 4.465 18504 8769 1 18 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.535 0.022 18504 8770 1 18 . 1 1 91 91 ASP C C 91 175.684 175.684 174.954 0.730 18504 8771 1 18 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.721 -1.752 18504 8772 1 18 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.953 0.263 18504 8773 1 18 . 1 1 91 91 ASP H H 91 9.852 9.852 8.482 1.370 18504 8774 1 18 . 1 1 92 92 MET N N 92 113.730 113.730 115.572 -1.842 18504 8775 1 18 . 1 1 92 92 MET HA H 92 4.278 4.278 4.528 -0.250 18504 8776 1 18 . 1 1 92 92 MET C C 92 177.571 177.571 176.545 1.026 18504 8777 1 18 . 1 1 92 92 MET CA C 92 58.815 58.815 56.364 2.451 18504 8778 1 18 . 1 1 92 92 MET CB C 92 32.010 32.010 32.405 -0.395 18504 8779 1 18 . 1 1 92 92 MET H H 92 8.574 8.574 7.624 0.950 18504 8780 1 18 . 1 1 93 93 ASN N N 93 115.175 115.175 120.837 -5.662 18504 8781 1 18 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.667 0.082 18504 8782 1 18 . 1 1 93 93 ASN C C 93 176.300 176.300 175.780 0.520 18504 8783 1 18 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.142 1.051 18504 8784 1 18 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.408 1.018 18504 8785 1 18 . 1 1 93 93 ASN H H 93 8.576 8.576 8.271 0.305 18504 8786 1 18 . 1 1 94 94 ASN N N 94 119.005 119.005 113.806 5.199 18504 8787 1 18 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.466 0.725 18504 8788 1 18 . 1 1 94 94 ASN C C 94 177.230 177.230 173.601 3.629 18504 8789 1 18 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.318 -1.687 18504 8790 1 18 . 1 1 94 94 ASN CB C 94 38.093 38.093 38.223 -0.130 18504 8791 1 18 . 1 1 94 94 ASN H H 94 8.049 8.049 8.568 -0.519 18504 8792 1 18 . 1 1 95 95 MET N N 95 117.771 117.771 110.946 6.825 18504 8793 1 18 . 1 1 95 95 MET HA H 95 4.048 4.048 4.596 -0.548 18504 8794 1 18 . 1 1 95 95 MET C C 95 178.005 178.005 173.678 4.327 18504 8795 1 18 . 1 1 95 95 MET CA C 95 58.275 58.275 54.385 3.890 18504 8796 1 18 . 1 1 95 95 MET CB C 95 32.327 32.327 32.679 -0.352 18504 8797 1 18 . 1 1 95 95 MET H H 95 7.489 7.489 7.731 -0.242 18504 8798 1 18 . 1 1 96 96 ASP N N 96 115.629 115.629 122.557 -6.928 18504 8799 1 18 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.655 -0.052 18504 8800 1 18 . 1 1 96 96 ASP C C 96 175.593 175.593 177.145 -1.552 18504 8801 1 18 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.237 0.703 18504 8802 1 18 . 1 1 96 96 ASP CB C 96 39.445 39.445 42.213 -2.768 18504 8803 1 18 . 1 1 96 96 ASP H H 96 7.777 7.777 8.536 -0.759 18504 8804 1 18 . 1 1 97 97 LEU N N 97 116.343 116.343 126.038 -9.695 18504 8805 1 18 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.282 0.335 18504 8806 1 18 . 1 1 97 97 LEU C C 97 174.835 174.835 177.355 -2.520 18504 8807 1 18 . 1 1 97 97 LEU CA C 97 54.433 54.433 54.956 -0.523 18504 8808 1 18 . 1 1 97 97 LEU CB C 97 39.082 39.082 40.383 -1.301 18504 8809 1 18 . 1 1 97 97 LEU H H 97 8.027 8.027 8.991 -0.964 18504 8810 1 18 . 1 1 98 98 LEU N N 98 118.769 118.769 122.983 -4.214 18504 8811 1 18 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.198 -0.834 18504 8812 1 18 . 1 1 98 98 LEU C C 98 177.586 177.586 178.148 -0.562 18504 8813 1 18 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.265 0.954 18504 8814 1 18 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.967 -2.867 18504 8815 1 18 . 1 1 98 98 LEU H H 98 7.798 7.798 8.545 -0.747 18504 8816 1 18 . 1 1 99 99 LYS N N 99 117.567 117.567 119.469 -1.902 18504 8817 1 18 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.844 -0.428 18504 8818 1 18 . 1 1 99 99 LYS C C 99 177.639 177.639 178.569 -0.930 18504 8819 1 18 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.248 1.585 18504 8820 1 18 . 1 1 99 99 LYS CB C 99 32.044 32.044 32.045 -0.001 18504 8821 1 18 . 1 1 99 99 LYS H H 99 7.603 7.603 8.388 -0.785 18504 8822 1 18 . 1 1 100 100 GLN N N 100 114.564 114.564 118.578 -4.014 18504 8823 1 18 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.056 -0.244 18504 8824 1 18 . 1 1 100 100 GLN C C 100 178.165 178.165 177.759 0.406 18504 8825 1 18 . 1 1 100 100 GLN CA C 100 58.784 58.784 59.245 -0.461 18504 8826 1 18 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.640 -1.157 18504 8827 1 18 . 1 1 100 100 GLN H H 100 7.625 7.625 7.507 0.118 18504 8828 1 18 . 1 1 101 101 ALA N N 101 121.499 121.499 123.187 -1.688 18504 8829 1 18 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.023 -0.735 18504 8830 1 18 . 1 1 101 101 ALA C C 101 178.865 178.865 179.809 -0.944 18504 8831 1 18 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.921 0.043 18504 8832 1 18 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.176 -0.315 18504 8833 1 18 . 1 1 101 101 ALA H H 101 7.355 7.355 8.057 -0.702 18504 8834 1 18 . 1 1 102 102 LEU N N 102 115.061 115.061 117.271 -2.210 18504 8835 1 18 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.002 0.764 18504 8836 1 18 . 1 1 102 102 LEU C C 102 179.324 179.324 179.206 0.118 18504 8837 1 18 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.626 -0.130 18504 8838 1 18 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.852 -0.124 18504 8839 1 18 . 1 1 102 102 LEU H H 102 7.941 7.941 8.200 -0.259 18504 8840 1 18 . 1 1 103 103 LEU N N 103 115.920 115.920 119.908 -3.988 18504 8841 1 18 . 1 1 103 103 LEU HA H 103 4.837 4.837 3.947 0.890 18504 8842 1 18 . 1 1 103 103 LEU C C 103 178.500 178.500 178.974 -0.474 18504 8843 1 18 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.999 -3.110 18504 8844 1 18 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.022 1.744 18504 8845 1 18 . 1 1 103 103 LEU H H 103 8.266 8.266 7.614 0.652 18504 8846 1 18 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.080 0.555 18504 8847 1 18 . 1 1 105 105 LEU C C 105 175.743 175.743 178.918 -3.175 18504 8848 1 18 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.400 -0.303 18504 8849 1 18 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.744 -1.966 18504 8850 1 18 . 1 1 106 106 HIS N N 106 122.167 122.167 118.727 3.440 18504 8851 1 18 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.125 0.141 18504 8852 1 18 . 1 1 106 106 HIS CA C 106 57.114 57.114 60.702 -3.588 18504 8853 1 18 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.248 -0.123 18504 8854 1 18 . 1 1 106 106 HIS H H 106 8.252 8.252 7.817 0.435 18504 8855 1 18 . 1 1 107 107 ASN C C 107 179.694 179.694 177.204 2.490 18504 8856 1 18 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.236 2.095 18504 8857 1 18 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.310 3.687 18504 8858 1 18 . 1 1 108 108 ASP N N 108 122.462 122.462 118.896 3.566 18504 8859 1 18 . 1 1 108 108 ASP C C 108 179.328 179.328 177.546 1.782 18504 8860 1 18 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.753 0.936 18504 8861 1 18 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.111 0.929 18504 8862 1 18 . 1 1 108 108 ASP H H 108 8.174 8.174 7.728 0.446 18504 8863 1 18 . 1 1 109 109 LEU N N 109 115.664 115.664 118.072 -2.408 18504 8864 1 18 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.255 0.597 18504 8865 1 18 . 1 1 109 109 LEU C C 109 178.510 178.510 178.244 0.266 18504 8866 1 18 . 1 1 109 109 LEU CA C 109 55.154 55.154 55.948 -0.794 18504 8867 1 18 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.624 1.524 18504 8868 1 18 . 1 1 109 109 LEU H H 109 8.380 8.380 7.272 1.108 18504 8869 1 18 . 1 1 110 110 HIS N N 110 118.905 118.905 117.293 1.612 18504 8870 1 18 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.268 -0.358 18504 8871 1 18 . 1 1 110 110 HIS C C 110 176.152 176.152 176.913 -0.761 18504 8872 1 18 . 1 1 110 110 HIS CA C 110 61.012 61.012 57.462 3.550 18504 8873 1 18 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.909 -1.797 18504 8874 1 18 . 1 1 110 110 HIS H H 110 8.518 8.518 8.609 -0.091 18504 8875 1 18 . 1 1 111 111 GLU N N 111 117.923 117.923 118.851 -0.928 18504 8876 1 18 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.046 -0.315 18504 8877 1 18 . 1 1 111 111 GLU C C 111 176.596 176.596 177.003 -0.407 18504 8878 1 18 . 1 1 111 111 GLU CA C 111 58.394 58.394 59.227 -0.833 18504 8879 1 18 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.948 -0.904 18504 8880 1 18 . 1 1 111 111 GLU H H 111 8.018 8.018 8.357 -0.339 18504 8881 1 18 . 1 1 112 112 TYR N N 112 114.607 114.607 115.689 -1.082 18504 8882 1 18 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.358 0.079 18504 8883 1 18 . 1 1 112 112 TYR C C 112 174.448 174.448 175.190 -0.742 18504 8884 1 18 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.559 -0.787 18504 8885 1 18 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.507 0.480 18504 8886 1 18 . 1 1 112 112 TYR H H 112 7.905 7.905 7.985 -0.080 18504 8887 1 18 . 1 1 113 113 VAL N N 113 118.003 118.003 121.197 -3.194 18504 8888 1 18 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.809 0.297 18504 8889 1 18 . 1 1 113 113 VAL C C 113 175.134 175.134 175.073 0.061 18504 8890 1 18 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.397 -0.710 18504 8891 1 18 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.566 2.662 18504 8892 1 18 . 1 1 113 113 VAL H H 113 6.976 6.976 8.311 -1.335 18504 8893 1 19 . 1 1 27 27 SER HA H 27 4.339 4.339 5.200 -0.861 18504 8894 1 19 . 1 1 27 27 SER C C 27 175.743 175.743 172.669 3.074 18504 8895 1 19 . 1 1 27 27 SER CA C 27 60.497 60.497 56.844 3.653 18504 8896 1 19 . 1 1 27 27 SER CB C 27 63.659 63.659 64.918 -1.259 18504 8897 1 19 . 1 1 28 28 LYS N N 28 118.099 118.099 118.429 -0.330 18504 8898 1 19 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.745 0.473 18504 8899 1 19 . 1 1 28 28 LYS C C 28 175.699 175.699 174.427 1.272 18504 8900 1 19 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.846 -0.301 18504 8901 1 19 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.252 1.661 18504 8902 1 19 . 1 1 28 28 LYS H H 28 7.785 7.785 8.270 -0.485 18504 8903 1 19 . 1 1 29 29 GLN N N 29 122.481 122.481 119.284 3.197 18504 8904 1 19 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.489 0.249 18504 8905 1 19 . 1 1 29 29 GLN C C 29 174.277 174.277 173.608 0.669 18504 8906 1 19 . 1 1 29 29 GLN CA C 29 55.525 55.525 55.418 0.107 18504 8907 1 19 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.407 -0.538 18504 8908 1 19 . 1 1 29 29 GLN H H 29 9.283 9.283 8.812 0.471 18504 8909 1 19 . 1 1 30 30 GLU N N 30 122.881 122.881 122.243 0.638 18504 8910 1 19 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.806 -0.530 18504 8911 1 19 . 1 1 30 30 GLU C C 30 173.313 173.313 175.000 -1.687 18504 8912 1 19 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.854 1.100 18504 8913 1 19 . 1 1 30 30 GLU CB C 30 31.054 31.054 30.413 0.641 18504 8914 1 19 . 1 1 30 30 GLU H H 30 9.188 9.188 8.290 0.898 18504 8915 1 19 . 1 1 31 31 LEU N N 31 130.328 130.328 125.538 4.790 18504 8916 1 19 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.622 -0.329 18504 8917 1 19 . 1 1 31 31 LEU C C 31 171.909 171.909 175.628 -3.719 18504 8918 1 19 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.713 -0.432 18504 8919 1 19 . 1 1 31 31 LEU CB C 31 42.450 42.450 45.216 -2.766 18504 8920 1 19 . 1 1 31 31 LEU H H 31 9.016 9.016 8.115 0.901 18504 8921 1 19 . 1 1 32 32 ILE N N 32 120.632 120.632 117.690 2.942 18504 8922 1 19 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.795 0.733 18504 8923 1 19 . 1 1 32 32 ILE C C 32 175.735 175.735 174.739 0.996 18504 8924 1 19 . 1 1 32 32 ILE CA C 32 59.224 59.224 59.456 -0.232 18504 8925 1 19 . 1 1 32 32 ILE CB C 32 36.625 36.625 40.258 -3.633 18504 8926 1 19 . 1 1 32 32 ILE H H 32 8.738 8.738 8.007 0.731 18504 8927 1 19 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.632 -0.635 18504 8928 1 19 . 1 1 33 33 LEU C C 33 180.030 180.030 174.904 5.126 18504 8929 1 19 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.485 4.848 18504 8930 1 19 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.384 -3.951 18504 8931 1 19 . 1 1 34 34 VAL N N 34 124.025 124.025 118.280 5.745 18504 8932 1 19 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.199 -0.582 18504 8933 1 19 . 1 1 34 34 VAL C C 34 178.222 178.222 174.030 4.192 18504 8934 1 19 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.992 4.130 18504 8935 1 19 . 1 1 34 34 VAL CB C 34 37.942 37.942 34.022 3.920 18504 8936 1 19 . 1 1 34 34 VAL H H 34 7.751 7.751 8.474 -0.723 18504 8937 1 19 . 1 1 35 35 LEU N N 35 120.009 120.009 127.701 -7.692 18504 8938 1 19 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.538 -0.262 18504 8939 1 19 . 1 1 35 35 LEU C C 35 175.855 175.855 176.033 -0.178 18504 8940 1 19 . 1 1 35 35 LEU CA C 35 57.375 57.375 54.315 3.060 18504 8941 1 19 . 1 1 35 35 LEU CB C 35 43.089 43.089 43.550 -0.461 18504 8942 1 19 . 1 1 35 35 LEU H H 35 7.532 7.532 8.592 -1.060 18504 8943 1 19 . 1 1 36 36 LYS N N 36 115.805 115.805 123.761 -7.956 18504 8944 1 19 . 1 1 36 36 LYS C C 36 178.903 178.903 174.726 4.177 18504 8945 1 19 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.496 1.851 18504 8946 1 19 . 1 1 36 36 LYS CB C 36 32.903 32.903 35.535 -2.632 18504 8947 1 19 . 1 1 36 36 LYS H H 36 7.501 7.501 8.516 -1.015 18504 8948 1 19 . 1 1 37 37 GLY N N 37 110.626 110.626 111.256 -0.630 18504 8949 1 19 . 1 1 37 37 GLY C C 37 174.865 174.865 173.652 1.213 18504 8950 1 19 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.924 1.542 18504 8951 1 19 . 1 1 37 37 GLY H H 37 8.811 8.811 8.271 0.540 18504 8952 1 19 . 1 1 38 38 GLU N N 38 116.098 116.098 118.395 -2.297 18504 8953 1 19 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.374 -0.072 18504 8954 1 19 . 1 1 38 38 GLU C C 38 176.681 176.681 176.113 0.568 18504 8955 1 19 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.532 0.652 18504 8956 1 19 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.570 -1.741 18504 8957 1 19 . 1 1 38 38 GLU H H 38 8.763 8.763 8.111 0.652 18504 8958 1 19 . 1 1 39 39 LEU N N 39 119.439 119.439 120.655 -1.216 18504 8959 1 19 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.545 -0.279 18504 8960 1 19 . 1 1 39 39 LEU C C 39 176.016 176.016 176.383 -0.367 18504 8961 1 19 . 1 1 39 39 LEU CA C 39 54.725 54.725 53.846 0.879 18504 8962 1 19 . 1 1 39 39 LEU CB C 39 43.602 43.602 43.517 0.085 18504 8963 1 19 . 1 1 39 39 LEU H H 39 7.167 7.167 7.564 -0.397 18504 8964 1 19 . 1 1 40 40 ASP N N 40 120.105 120.105 120.170 -0.065 18504 8965 1 19 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.484 0.244 18504 8966 1 19 . 1 1 40 40 ASP C C 40 178.198 178.198 177.622 0.576 18504 8967 1 19 . 1 1 40 40 ASP CA C 40 52.190 52.190 55.867 -3.677 18504 8968 1 19 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.310 -0.753 18504 8969 1 19 . 1 1 40 40 ASP H H 40 8.596 8.596 8.266 0.330 18504 8970 1 19 . 1 1 41 41 LEU N N 41 125.023 125.023 116.973 8.050 18504 8971 1 19 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.016 -0.263 18504 8972 1 19 . 1 1 41 41 LEU C C 41 175.113 175.113 176.660 -1.547 18504 8973 1 19 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.203 1.464 18504 8974 1 19 . 1 1 41 41 LEU CB C 41 39.849 39.849 41.682 -1.833 18504 8975 1 19 . 1 1 41 41 LEU H H 41 9.029 9.029 7.918 1.111 18504 8976 1 19 . 1 1 42 42 HIS N N 42 113.184 113.184 117.006 -3.822 18504 8977 1 19 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.401 0.123 18504 8978 1 19 . 1 1 42 42 HIS C C 42 175.855 175.855 174.483 1.372 18504 8979 1 19 . 1 1 42 42 HIS CA C 42 55.916 55.916 55.357 0.559 18504 8980 1 19 . 1 1 42 42 HIS CB C 42 30.137 30.137 28.501 1.636 18504 8981 1 19 . 1 1 42 42 HIS H H 42 8.065 8.065 8.273 -0.208 18504 8982 1 19 . 1 1 43 43 SER N N 43 116.013 116.013 118.164 -2.151 18504 8983 1 19 . 1 1 43 43 SER HA H 43 4.524 4.524 4.284 0.240 18504 8984 1 19 . 1 1 43 43 SER C C 43 174.426 174.426 175.357 -0.931 18504 8985 1 19 . 1 1 43 43 SER CA C 43 58.206 58.206 59.520 -1.314 18504 8986 1 19 . 1 1 43 43 SER CB C 43 65.517 65.517 64.002 1.515 18504 8987 1 19 . 1 1 43 43 SER H H 43 7.511 7.511 8.079 -0.568 18504 8988 1 19 . 1 1 44 44 LYS N N 44 123.332 123.332 126.000 -2.668 18504 8989 1 19 . 1 1 44 44 LYS C C 44 177.791 177.791 177.717 0.074 18504 8990 1 19 . 1 1 44 44 LYS CA C 44 59.456 59.456 57.971 1.486 18504 8991 1 19 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.334 -2.163 18504 8992 1 19 . 1 1 44 44 LYS H H 44 8.846 8.846 8.741 0.105 18504 8993 1 19 . 1 1 45 45 ASN N N 45 118.501 118.501 118.962 -0.461 18504 8994 1 19 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.591 -0.121 18504 8995 1 19 . 1 1 45 45 ASN C C 45 177.817 177.817 177.580 0.237 18504 8996 1 19 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.609 0.319 18504 8997 1 19 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.313 0.091 18504 8998 1 19 . 1 1 45 45 ASN H H 45 8.545 8.545 8.328 0.217 18504 8999 1 19 . 1 1 46 46 MET N N 46 116.171 116.171 116.718 -0.547 18504 9000 1 19 . 1 1 46 46 MET HA H 46 4.471 4.471 4.310 0.161 18504 9001 1 19 . 1 1 46 46 MET C C 46 178.964 178.964 177.870 1.094 18504 9002 1 19 . 1 1 46 46 MET CA C 46 55.467 55.467 59.263 -3.796 18504 9003 1 19 . 1 1 46 46 MET CB C 46 29.707 29.707 32.257 -2.550 18504 9004 1 19 . 1 1 46 46 MET H H 46 7.379 7.379 7.911 -0.532 18504 9005 1 19 . 1 1 47 47 LYS N N 47 121.054 121.054 118.147 2.907 18504 9006 1 19 . 1 1 47 47 LYS HA H 47 3.884 3.884 4.072 -0.188 18504 9007 1 19 . 1 1 47 47 LYS C C 47 179.310 179.310 179.060 0.250 18504 9008 1 19 . 1 1 47 47 LYS CA C 47 60.339 60.339 58.872 1.467 18504 9009 1 19 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.738 0.012 18504 9010 1 19 . 1 1 47 47 LYS H H 47 8.450 8.450 8.264 0.186 18504 9011 1 19 . 1 1 48 48 ASN N N 48 117.137 117.137 118.826 -1.689 18504 9012 1 19 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.502 -0.621 18504 9013 1 19 . 1 1 48 48 ASN C C 48 177.733 177.733 177.446 0.287 18504 9014 1 19 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.445 0.095 18504 9015 1 19 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.630 -0.297 18504 9016 1 19 . 1 1 48 48 ASN H H 48 7.896 7.896 8.209 -0.313 18504 9017 1 19 . 1 1 49 49 VAL N N 49 121.225 121.225 120.435 0.790 18504 9018 1 19 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.572 0.107 18504 9019 1 19 . 1 1 49 49 VAL C C 49 176.675 176.675 177.121 -0.446 18504 9020 1 19 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.365 0.069 18504 9021 1 19 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.045 1.024 18504 9022 1 19 . 1 1 49 49 VAL H H 49 7.869 7.869 7.697 0.172 18504 9023 1 19 . 1 1 50 50 ILE N N 50 120.523 120.523 120.420 0.103 18504 9024 1 19 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.454 0.796 18504 9025 1 19 . 1 1 50 50 ILE C C 50 179.831 179.831 177.224 2.607 18504 9026 1 19 . 1 1 50 50 ILE CA C 50 57.940 57.940 65.195 -7.255 18504 9027 1 19 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.825 2.287 18504 9028 1 19 . 1 1 50 50 ILE H H 50 8.093 8.093 7.635 0.458 18504 9029 1 19 . 1 1 51 51 ASN N N 51 117.280 117.280 117.753 -0.473 18504 9030 1 19 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.477 -0.458 18504 9031 1 19 . 1 1 51 51 ASN C C 51 178.496 178.496 177.737 0.759 18504 9032 1 19 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.220 0.392 18504 9033 1 19 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.011 0.344 18504 9034 1 19 . 1 1 51 51 ASN H H 51 7.953 7.953 7.792 0.161 18504 9035 1 19 . 1 1 52 52 ASN N N 52 118.893 118.893 119.410 -0.517 18504 9036 1 19 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.453 -0.038 18504 9037 1 19 . 1 1 52 52 ASN C C 52 176.434 176.434 176.919 -0.485 18504 9038 1 19 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.492 0.278 18504 9039 1 19 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.837 -0.484 18504 9040 1 19 . 1 1 52 52 ASN H H 52 8.347 8.347 8.031 0.316 18504 9041 1 19 . 1 1 53 53 ALA N N 53 122.291 122.291 121.782 0.509 18504 9042 1 19 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.034 0.480 18504 9043 1 19 . 1 1 53 53 ALA C C 53 180.689 180.689 179.448 1.241 18504 9044 1 19 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.265 -0.364 18504 9045 1 19 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.308 -0.407 18504 9046 1 19 . 1 1 53 53 ALA H H 53 7.706 7.706 8.833 -1.127 18504 9047 1 19 . 1 1 54 54 LYS N N 54 119.091 119.091 118.368 0.723 18504 9048 1 19 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.125 -0.288 18504 9049 1 19 . 1 1 54 54 LYS C C 54 178.066 178.066 178.294 -0.228 18504 9050 1 19 . 1 1 54 54 LYS CA C 54 60.306 60.306 58.934 1.372 18504 9051 1 19 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.331 -0.243 18504 9052 1 19 . 1 1 54 54 LYS H H 54 8.375 8.375 7.597 0.778 18504 9053 1 19 . 1 1 55 55 LYS N N 55 119.370 119.370 119.609 -0.239 18504 9054 1 19 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.938 -0.065 18504 9055 1 19 . 1 1 55 55 LYS C C 55 179.819 179.819 179.248 0.571 18504 9056 1 19 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.570 0.716 18504 9057 1 19 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.353 -0.363 18504 9058 1 19 . 1 1 55 55 LYS H H 55 8.259 8.259 8.080 0.179 18504 9059 1 19 . 1 1 56 56 ASN N N 56 119.303 119.303 117.623 1.680 18504 9060 1 19 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.298 0.111 18504 9061 1 19 . 1 1 56 56 ASN C C 56 178.899 178.899 177.168 1.731 18504 9062 1 19 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.437 0.303 18504 9063 1 19 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.304 -1.201 18504 9064 1 19 . 1 1 56 56 ASN H H 56 8.235 8.235 8.363 -0.128 18504 9065 1 19 . 1 1 57 57 LEU N N 57 123.252 123.252 122.018 1.234 18504 9066 1 19 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.313 0.369 18504 9067 1 19 . 1 1 57 57 LEU C C 57 178.541 178.541 179.227 -0.686 18504 9068 1 19 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.697 -0.497 18504 9069 1 19 . 1 1 57 57 LEU CB C 57 42.626 42.626 42.008 0.618 18504 9070 1 19 . 1 1 57 57 LEU H H 57 8.210 8.210 7.768 0.442 18504 9071 1 19 . 1 1 58 58 GLU N N 58 118.795 118.795 116.980 1.815 18504 9072 1 19 . 1 1 58 58 GLU HA H 58 4.003 4.003 4.032 -0.029 18504 9073 1 19 . 1 1 58 58 GLU C C 58 177.333 177.333 179.093 -1.760 18504 9074 1 19 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.472 1.673 18504 9075 1 19 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.970 1.342 18504 9076 1 19 . 1 1 58 58 GLU H H 58 8.846 8.846 8.044 0.802 18504 9077 1 19 . 1 1 59 59 LYS N N 59 118.325 118.325 119.687 -1.362 18504 9078 1 19 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.964 0.511 18504 9079 1 19 . 1 1 59 59 LYS C C 59 178.428 178.428 179.456 -1.028 18504 9080 1 19 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.268 0.877 18504 9081 1 19 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.109 0.579 18504 9082 1 19 . 1 1 59 59 LYS H H 59 8.373 8.373 7.472 0.901 18504 9083 1 19 . 1 1 60 60 TYR N N 60 119.345 119.345 117.242 2.103 18504 9084 1 19 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.544 -0.217 18504 9085 1 19 . 1 1 60 60 TYR C C 60 178.899 178.899 177.885 1.014 18504 9086 1 19 . 1 1 60 60 TYR CA C 60 62.394 62.394 59.874 2.520 18504 9087 1 19 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.458 -0.164 18504 9088 1 19 . 1 1 60 60 TYR H H 60 7.532 7.532 7.382 0.150 18504 9089 1 19 . 1 1 61 61 PHE N N 61 118.931 118.931 119.762 -0.831 18504 9090 1 19 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.406 -0.078 18504 9091 1 19 . 1 1 61 61 PHE C C 61 178.450 178.450 177.219 1.231 18504 9092 1 19 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.895 1.499 18504 9093 1 19 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.721 -1.798 18504 9094 1 19 . 1 1 61 61 PHE H H 61 8.607 8.607 8.014 0.593 18504 9095 1 19 . 1 1 62 62 LYS N N 62 118.337 118.337 119.078 -0.741 18504 9096 1 19 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.297 0.005 18504 9097 1 19 . 1 1 62 62 LYS C C 62 178.333 178.333 177.968 0.365 18504 9098 1 19 . 1 1 62 62 LYS CA C 62 59.311 59.311 59.023 0.289 18504 9099 1 19 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.795 0.053 18504 9100 1 19 . 1 1 62 62 LYS H H 62 8.615 8.615 8.812 -0.197 18504 9101 1 19 . 1 1 63 63 GLU N N 63 116.360 116.360 117.758 -1.398 18504 9102 1 19 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.223 -0.297 18504 9103 1 19 . 1 1 63 63 GLU C C 63 177.317 177.317 177.726 -0.409 18504 9104 1 19 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.400 -0.084 18504 9105 1 19 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.526 -1.170 18504 9106 1 19 . 1 1 63 63 GLU H H 63 7.547 7.547 7.791 -0.244 18504 9107 1 19 . 1 1 64 64 HIS N N 64 113.580 113.580 116.101 -2.521 18504 9108 1 19 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.628 -0.207 18504 9109 1 19 . 1 1 64 64 HIS C C 64 173.911 173.911 174.704 -0.793 18504 9110 1 19 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.085 2.997 18504 9111 1 19 . 1 1 64 64 HIS CB C 64 31.835 31.835 29.774 2.061 18504 9112 1 19 . 1 1 64 64 HIS H H 64 7.013 7.013 7.504 -0.491 18504 9113 1 19 . 1 1 65 65 PHE N N 65 119.434 119.434 118.638 0.796 18504 9114 1 19 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.207 0.729 18504 9115 1 19 . 1 1 65 65 PHE C C 65 175.232 175.232 174.451 0.781 18504 9116 1 19 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.483 -2.260 18504 9117 1 19 . 1 1 65 65 PHE CB C 65 40.362 40.362 39.028 1.334 18504 9118 1 19 . 1 1 65 65 PHE H H 65 8.340 8.340 7.936 0.404 18504 9119 1 19 . 1 1 66 66 LYS N N 66 123.217 123.217 123.324 -0.107 18504 9120 1 19 . 1 1 66 66 LYS HA H 66 4.288 4.288 2.030 2.258 18504 9121 1 19 . 1 1 66 66 LYS C C 66 177.685 177.685 174.106 3.579 18504 9122 1 19 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.592 2.206 18504 9123 1 19 . 1 1 66 66 LYS CB C 66 32.473 32.473 33.184 -0.711 18504 9124 1 19 . 1 1 66 66 LYS H H 66 8.590 8.590 6.984 1.606 18504 9125 1 19 . 1 1 67 67 GLU N N 67 117.085 117.085 121.067 -3.982 18504 9126 1 19 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.703 -0.342 18504 9127 1 19 . 1 1 67 67 GLU C C 67 175.770 175.770 175.276 0.494 18504 9128 1 19 . 1 1 67 67 GLU CA C 67 56.364 56.364 55.928 0.436 18504 9129 1 19 . 1 1 67 67 GLU CB C 67 29.103 29.103 31.022 -1.919 18504 9130 1 19 . 1 1 67 67 GLU H H 67 8.969 8.969 8.345 0.624 18504 9131 1 19 . 1 1 68 68 PHE N N 68 121.127 121.127 119.945 1.182 18504 9132 1 19 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.521 -0.249 18504 9133 1 19 . 1 1 68 68 PHE C C 68 173.621 173.621 174.845 -1.224 18504 9134 1 19 . 1 1 68 68 PHE CA C 68 59.096 59.096 59.363 -0.267 18504 9135 1 19 . 1 1 68 68 PHE CB C 68 40.772 40.772 40.929 -0.158 18504 9136 1 19 . 1 1 68 68 PHE H H 68 7.752 7.752 8.544 -0.792 18504 9137 1 19 . 1 1 69 69 ASP N N 69 125.720 125.720 123.418 2.302 18504 9138 1 19 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.447 0.156 18504 9139 1 19 . 1 1 69 69 ASP C C 69 173.387 173.387 175.516 -2.129 18504 9140 1 19 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.913 -0.032 18504 9141 1 19 . 1 1 69 69 ASP CB C 69 41.806 41.806 40.658 1.148 18504 9142 1 19 . 1 1 69 69 ASP H H 69 7.767 7.767 8.231 -0.464 18504 9143 1 19 . 1 1 70 70 LYS N N 70 115.004 115.004 125.161 -10.157 18504 9144 1 19 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.617 -0.168 18504 9145 1 19 . 1 1 70 70 LYS C C 70 175.841 175.841 175.242 0.599 18504 9146 1 19 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.944 0.542 18504 9147 1 19 . 1 1 70 70 LYS CB C 70 34.781 34.781 34.757 0.024 18504 9148 1 19 . 1 1 70 70 LYS H H 70 7.305 7.305 7.872 -0.567 18504 9149 1 19 . 1 1 71 71 ILE N N 71 122.809 122.809 119.294 3.515 18504 9150 1 19 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.285 0.424 18504 9151 1 19 . 1 1 71 71 ILE C C 71 175.120 175.120 174.171 0.949 18504 9152 1 19 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.005 -0.753 18504 9153 1 19 . 1 1 71 71 ILE CB C 71 39.302 39.302 41.197 -1.895 18504 9154 1 19 . 1 1 71 71 ILE H H 71 9.522 9.522 8.342 1.180 18504 9155 1 19 . 1 1 72 72 SER N N 72 121.741 121.741 124.100 -2.359 18504 9156 1 19 . 1 1 72 72 SER HA H 72 4.920 4.920 5.016 -0.096 18504 9157 1 19 . 1 1 72 72 SER C C 72 172.157 172.157 172.624 -0.467 18504 9158 1 19 . 1 1 72 72 SER CA C 72 57.730 57.730 57.133 0.597 18504 9159 1 19 . 1 1 72 72 SER CB C 72 65.634 65.634 65.025 0.609 18504 9160 1 19 . 1 1 72 72 SER H H 72 8.760 8.760 8.366 0.394 18504 9161 1 19 . 1 1 73 73 TYR N N 73 118.245 118.245 122.145 -3.900 18504 9162 1 19 . 1 1 73 73 TYR HA H 73 5.721 5.721 5.011 0.710 18504 9163 1 19 . 1 1 73 73 TYR C C 73 173.231 173.231 173.677 -0.446 18504 9164 1 19 . 1 1 73 73 TYR CA C 73 56.230 56.230 55.600 0.630 18504 9165 1 19 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.995 1.389 18504 9166 1 19 . 1 1 73 73 TYR H H 73 8.275 8.275 8.592 -0.317 18504 9167 1 19 . 1 1 74 74 ASP N N 74 120.379 120.379 120.722 -0.343 18504 9168 1 19 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.788 0.267 18504 9169 1 19 . 1 1 74 74 ASP C C 74 174.827 174.827 173.951 0.876 18504 9170 1 19 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.645 -0.044 18504 9171 1 19 . 1 1 74 74 ASP CB C 74 45.640 45.640 45.159 0.481 18504 9172 1 19 . 1 1 74 74 ASP H H 74 9.332 9.332 8.838 0.494 18504 9173 1 19 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.660 -0.076 18504 9174 1 19 . 1 1 75 75 ILE C C 75 177.411 177.411 174.298 3.113 18504 9175 1 19 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.090 0.119 18504 9176 1 19 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.564 0.204 18504 9177 1 19 . 1 1 75 75 ILE H H 75 7.501 7.501 8.277 -0.776 18504 9178 1 19 . 1 1 76 76 SER N N 76 117.836 117.836 120.757 -2.921 18504 9179 1 19 . 1 1 76 76 SER HA H 76 5.450 5.450 4.869 0.581 18504 9180 1 19 . 1 1 76 76 SER C C 76 173.767 173.767 174.871 -1.104 18504 9181 1 19 . 1 1 76 76 SER CA C 76 57.758 57.758 56.252 1.506 18504 9182 1 19 . 1 1 76 76 SER CB C 76 64.462 64.462 64.263 0.199 18504 9183 1 19 . 1 1 76 76 SER H H 76 9.050 9.050 8.430 0.620 18504 9184 1 19 . 1 1 77 77 THR N N 77 117.435 117.435 124.452 -7.017 18504 9185 1 19 . 1 1 77 77 THR HA H 77 4.959 4.959 4.491 0.468 18504 9186 1 19 . 1 1 77 77 THR C C 77 172.636 172.636 174.566 -1.930 18504 9187 1 19 . 1 1 77 77 THR CA C 77 58.870 58.870 65.937 -7.067 18504 9188 1 19 . 1 1 77 77 THR CB C 77 69.935 69.935 67.253 2.682 18504 9189 1 19 . 1 1 77 77 THR H H 77 8.601 8.601 8.829 -0.228 18504 9190 1 19 . 1 1 78 78 PRO C C 78 179.328 179.328 176.865 2.463 18504 9191 1 19 . 1 1 78 78 PRO CA C 78 63.483 63.483 65.660 -2.177 18504 9192 1 19 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.141 1.021 18504 9193 1 19 . 1 1 79 79 ILE N N 79 120.707 120.707 113.629 7.078 18504 9194 1 19 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.269 0.352 18504 9195 1 19 . 1 1 79 79 ILE C C 79 177.212 177.212 175.966 1.246 18504 9196 1 19 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.027 5.894 18504 9197 1 19 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.780 -0.312 18504 9198 1 19 . 1 1 79 79 ILE H H 79 8.227 8.227 7.978 0.249 18504 9199 1 19 . 1 1 80 80 ASN N N 80 118.168 118.168 117.214 0.954 18504 9200 1 19 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.453 -0.023 18504 9201 1 19 . 1 1 80 80 ASN C C 80 178.172 178.172 173.686 4.486 18504 9202 1 19 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.545 2.218 18504 9203 1 19 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.660 0.427 18504 9204 1 19 . 1 1 80 80 ASN H H 80 8.466 8.466 7.765 0.701 18504 9205 1 19 . 1 1 81 81 PHE N N 81 129.059 129.059 116.651 12.408 18504 9206 1 19 . 1 1 81 81 PHE C C 81 174.016 174.016 173.772 0.244 18504 9207 1 19 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.448 -1.629 18504 9208 1 19 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.585 -2.812 18504 9209 1 19 . 1 1 81 81 PHE H H 81 9.152 9.152 7.901 1.251 18504 9210 1 19 . 1 1 82 82 LEU N N 82 124.640 124.640 123.850 0.790 18504 9211 1 19 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.665 0.328 18504 9212 1 19 . 1 1 82 82 LEU C C 82 173.695 173.695 175.430 -1.735 18504 9213 1 19 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.382 0.368 18504 9214 1 19 . 1 1 82 82 LEU CB C 82 44.936 44.936 42.127 2.809 18504 9215 1 19 . 1 1 82 82 LEU H H 82 9.147 9.147 7.754 1.393 18504 9216 1 19 . 1 1 83 83 CYS N N 83 126.066 126.066 124.407 1.659 18504 9217 1 19 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.680 0.558 18504 9218 1 19 . 1 1 83 83 CYS C C 83 173.733 173.733 173.212 0.521 18504 9219 1 19 . 1 1 83 83 CYS CA C 83 56.361 56.361 58.821 -2.460 18504 9220 1 19 . 1 1 83 83 CYS CB C 83 28.374 28.374 30.320 -1.946 18504 9221 1 19 . 1 1 83 83 CYS H H 83 9.065 9.065 8.317 0.748 18504 9222 1 19 . 1 1 84 84 ILE N N 84 126.110 126.110 123.827 2.283 18504 9223 1 19 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.505 -0.146 18504 9224 1 19 . 1 1 84 84 ILE C C 84 174.745 174.745 173.976 0.769 18504 9225 1 19 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.858 -0.339 18504 9226 1 19 . 1 1 84 84 ILE CB C 84 40.358 40.358 41.088 -0.730 18504 9227 1 19 . 1 1 84 84 ILE H H 84 9.426 9.426 8.397 1.029 18504 9228 1 19 . 1 1 85 85 PHE N N 85 126.315 126.315 126.939 -0.624 18504 9229 1 19 . 1 1 85 85 PHE HA H 85 5.019 5.019 5.007 0.012 18504 9230 1 19 . 1 1 85 85 PHE C C 85 175.358 175.358 174.734 0.624 18504 9231 1 19 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.853 0.878 18504 9232 1 19 . 1 1 85 85 PHE CB C 85 38.742 38.742 41.621 -2.879 18504 9233 1 19 . 1 1 85 85 PHE H H 85 8.337 8.337 9.405 -1.068 18504 9234 1 19 . 1 1 86 86 ILE N N 86 126.561 126.561 126.624 -0.063 18504 9235 1 19 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.691 0.212 18504 9236 1 19 . 1 1 86 86 ILE C C 86 173.967 173.967 173.604 0.363 18504 9237 1 19 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.770 -2.384 18504 9238 1 19 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.028 -1.217 18504 9239 1 19 . 1 1 86 86 ILE H H 86 9.161 9.161 9.171 -0.010 18504 9240 1 19 . 1 1 87 87 PRO HA H 87 5.022 5.022 5.023 -0.001 18504 9241 1 19 . 1 1 87 87 PRO C C 87 177.938 177.938 175.944 1.994 18504 9242 1 19 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.328 0.180 18504 9243 1 19 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.714 0.820 18504 9244 1 19 . 1 1 88 88 THR N N 88 113.282 113.282 117.409 -4.127 18504 9245 1 19 . 1 1 88 88 THR HA H 88 4.486 4.486 4.526 -0.040 18504 9246 1 19 . 1 1 88 88 THR C C 88 176.082 176.082 172.471 3.611 18504 9247 1 19 . 1 1 88 88 THR CA C 88 60.306 60.306 60.113 0.193 18504 9248 1 19 . 1 1 88 88 THR CB C 88 66.727 66.727 71.224 -4.497 18504 9249 1 19 . 1 1 88 88 THR H H 88 8.003 8.003 8.143 -0.140 18504 9250 1 19 . 1 1 89 89 LEU N N 89 122.317 122.317 123.953 -1.636 18504 9251 1 19 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.728 -0.719 18504 9252 1 19 . 1 1 89 89 LEU C C 89 175.776 175.776 175.476 0.300 18504 9253 1 19 . 1 1 89 89 LEU CA C 89 53.969 53.969 53.823 0.146 18504 9254 1 19 . 1 1 89 89 LEU CB C 89 41.996 41.996 43.576 -1.580 18504 9255 1 19 . 1 1 89 89 LEU H H 89 7.822 7.822 8.491 -0.669 18504 9256 1 19 . 1 1 90 90 PHE N N 90 114.801 114.801 123.459 -8.658 18504 9257 1 19 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.525 1.035 18504 9258 1 19 . 1 1 90 90 PHE C C 90 175.869 175.869 174.908 0.961 18504 9259 1 19 . 1 1 90 90 PHE CA C 90 55.096 55.096 57.333 -2.237 18504 9260 1 19 . 1 1 90 90 PHE CB C 90 40.107 40.107 37.845 2.262 18504 9261 1 19 . 1 1 90 90 PHE H H 90 7.110 7.110 9.043 -1.933 18504 9262 1 19 . 1 1 91 91 ASP N N 91 127.244 127.244 126.747 0.497 18504 9263 1 19 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.442 0.115 18504 9264 1 19 . 1 1 91 91 ASP C C 91 175.684 175.684 177.013 -1.329 18504 9265 1 19 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.746 -1.777 18504 9266 1 19 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.157 1.059 18504 9267 1 19 . 1 1 91 91 ASP H H 91 9.852 9.852 8.403 1.449 18504 9268 1 19 . 1 1 92 92 MET N N 92 113.730 113.730 120.166 -6.436 18504 9269 1 19 . 1 1 92 92 MET HA H 92 4.278 4.278 4.032 0.245 18504 9270 1 19 . 1 1 92 92 MET C C 92 177.571 177.571 177.773 -0.202 18504 9271 1 19 . 1 1 92 92 MET CA C 92 58.815 58.815 57.809 1.006 18504 9272 1 19 . 1 1 92 92 MET CB C 92 32.010 32.010 32.303 -0.293 18504 9273 1 19 . 1 1 92 92 MET H H 92 8.574 8.574 8.107 0.467 18504 9274 1 19 . 1 1 93 93 ASN N N 93 115.175 115.175 116.043 -0.868 18504 9275 1 19 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.309 0.440 18504 9276 1 19 . 1 1 93 93 ASN C C 93 176.300 176.300 175.610 0.690 18504 9277 1 19 . 1 1 93 93 ASN CA C 93 55.193 55.193 55.500 -0.307 18504 9278 1 19 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.831 0.595 18504 9279 1 19 . 1 1 93 93 ASN H H 93 8.576 8.576 8.226 0.350 18504 9280 1 19 . 1 1 94 94 ASN N N 94 119.005 119.005 117.025 1.980 18504 9281 1 19 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.433 0.758 18504 9282 1 19 . 1 1 94 94 ASN C C 94 177.230 177.230 173.604 3.626 18504 9283 1 19 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.526 -1.895 18504 9284 1 19 . 1 1 94 94 ASN CB C 94 38.093 38.093 38.270 -0.177 18504 9285 1 19 . 1 1 94 94 ASN H H 94 8.049 8.049 7.903 0.146 18504 9286 1 19 . 1 1 95 95 MET N N 95 117.771 117.771 117.667 0.104 18504 9287 1 19 . 1 1 95 95 MET HA H 95 4.048 4.048 4.546 -0.498 18504 9288 1 19 . 1 1 95 95 MET C C 95 178.005 178.005 173.657 4.348 18504 9289 1 19 . 1 1 95 95 MET CA C 95 58.275 58.275 55.184 3.091 18504 9290 1 19 . 1 1 95 95 MET CB C 95 32.327 32.327 33.975 -1.648 18504 9291 1 19 . 1 1 95 95 MET H H 95 7.489 7.489 7.795 -0.306 18504 9292 1 19 . 1 1 96 96 ASP N N 96 115.629 115.629 122.852 -7.223 18504 9293 1 19 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.774 -0.171 18504 9294 1 19 . 1 1 96 96 ASP C C 96 175.593 175.593 175.941 -0.348 18504 9295 1 19 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.374 0.566 18504 9296 1 19 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.768 -2.323 18504 9297 1 19 . 1 1 96 96 ASP H H 96 7.777 7.777 8.366 -0.589 18504 9298 1 19 . 1 1 97 97 LEU N N 97 116.343 116.343 125.797 -9.454 18504 9299 1 19 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.582 0.035 18504 9300 1 19 . 1 1 97 97 LEU C C 97 174.835 174.835 176.842 -2.007 18504 9301 1 19 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.218 -0.785 18504 9302 1 19 . 1 1 97 97 LEU CB C 97 39.082 39.082 42.808 -3.726 18504 9303 1 19 . 1 1 97 97 LEU H H 97 8.027 8.027 8.431 -0.404 18504 9304 1 19 . 1 1 98 98 LEU N N 98 118.769 118.769 125.272 -6.503 18504 9305 1 19 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.306 -0.942 18504 9306 1 19 . 1 1 98 98 LEU C C 98 177.586 177.586 177.723 -0.137 18504 9307 1 19 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.680 0.539 18504 9308 1 19 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.351 -2.251 18504 9309 1 19 . 1 1 98 98 LEU H H 98 7.798 7.798 8.604 -0.806 18504 9310 1 19 . 1 1 99 99 LYS N N 99 117.567 117.567 119.452 -1.885 18504 9311 1 19 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.948 -0.532 18504 9312 1 19 . 1 1 99 99 LYS C C 99 177.639 177.639 178.804 -1.165 18504 9313 1 19 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.147 1.686 18504 9314 1 19 . 1 1 99 99 LYS CB C 99 32.044 32.044 32.335 -0.291 18504 9315 1 19 . 1 1 99 99 LYS H H 99 7.603 7.603 8.663 -1.060 18504 9316 1 19 . 1 1 100 100 GLN N N 100 114.564 114.564 117.863 -3.299 18504 9317 1 19 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.098 -0.286 18504 9318 1 19 . 1 1 100 100 GLN C C 100 178.165 178.165 177.826 0.339 18504 9319 1 19 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.728 0.056 18504 9320 1 19 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.157 -0.674 18504 9321 1 19 . 1 1 100 100 GLN H H 100 7.625 7.625 7.640 -0.015 18504 9322 1 19 . 1 1 101 101 ALA N N 101 121.499 121.499 123.269 -1.770 18504 9323 1 19 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.083 -0.795 18504 9324 1 19 . 1 1 101 101 ALA C C 101 178.865 178.865 179.701 -0.836 18504 9325 1 19 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.603 0.361 18504 9326 1 19 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.039 -0.178 18504 9327 1 19 . 1 1 101 101 ALA H H 101 7.355 7.355 7.486 -0.131 18504 9328 1 19 . 1 1 102 102 LEU N N 102 115.061 115.061 118.087 -3.026 18504 9329 1 19 . 1 1 102 102 LEU HA H 102 4.766 4.766 3.843 0.923 18504 9330 1 19 . 1 1 102 102 LEU C C 102 179.324 179.324 179.223 0.101 18504 9331 1 19 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.911 -0.415 18504 9332 1 19 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.743 -0.015 18504 9333 1 19 . 1 1 102 102 LEU H H 102 7.941 7.941 7.862 0.079 18504 9334 1 19 . 1 1 103 103 LEU N N 103 115.920 115.920 119.066 -3.146 18504 9335 1 19 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.106 0.731 18504 9336 1 19 . 1 1 103 103 LEU C C 103 178.500 178.500 178.787 -0.287 18504 9337 1 19 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.453 -2.564 18504 9338 1 19 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.043 1.723 18504 9339 1 19 . 1 1 103 103 LEU H H 103 8.266 8.266 7.610 0.656 18504 9340 1 19 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.027 0.608 18504 9341 1 19 . 1 1 105 105 LEU C C 105 175.743 175.743 178.530 -2.787 18504 9342 1 19 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.244 -0.147 18504 9343 1 19 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.906 -2.128 18504 9344 1 19 . 1 1 106 106 HIS N N 106 122.167 122.167 118.379 3.788 18504 9345 1 19 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.068 0.198 18504 9346 1 19 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.089 -1.975 18504 9347 1 19 . 1 1 106 106 HIS CB C 106 30.125 30.125 29.392 0.733 18504 9348 1 19 . 1 1 106 106 HIS H H 106 8.252 8.252 8.193 0.059 18504 9349 1 19 . 1 1 107 107 ASN C C 107 179.694 179.694 176.976 2.718 18504 9350 1 19 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.273 2.058 18504 9351 1 19 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.684 3.313 18504 9352 1 19 . 1 1 108 108 ASP N N 108 122.462 122.462 119.078 3.384 18504 9353 1 19 . 1 1 108 108 ASP C C 108 179.328 179.328 177.835 1.493 18504 9354 1 19 . 1 1 108 108 ASP CA C 108 57.689 57.689 57.070 0.619 18504 9355 1 19 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.188 0.852 18504 9356 1 19 . 1 1 108 108 ASP H H 108 8.174 8.174 7.946 0.228 18504 9357 1 19 . 1 1 109 109 LEU N N 109 115.664 115.664 115.011 0.653 18504 9358 1 19 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.628 0.224 18504 9359 1 19 . 1 1 109 109 LEU C C 109 178.510 178.510 178.458 0.052 18504 9360 1 19 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.448 -1.294 18504 9361 1 19 . 1 1 109 109 LEU CB C 109 44.148 44.148 41.851 2.297 18504 9362 1 19 . 1 1 109 109 LEU H H 109 8.380 8.380 7.246 1.134 18504 9363 1 19 . 1 1 110 110 HIS N N 110 118.905 118.905 120.021 -1.116 18504 9364 1 19 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.470 -0.560 18504 9365 1 19 . 1 1 110 110 HIS C C 110 176.152 176.152 176.661 -0.509 18504 9366 1 19 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.311 2.701 18504 9367 1 19 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.202 -1.090 18504 9368 1 19 . 1 1 110 110 HIS H H 110 8.518 8.518 8.625 -0.107 18504 9369 1 19 . 1 1 111 111 GLU N N 111 117.923 117.923 118.297 -0.374 18504 9370 1 19 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.250 -0.519 18504 9371 1 19 . 1 1 111 111 GLU C C 111 176.596 176.596 176.382 0.214 18504 9372 1 19 . 1 1 111 111 GLU CA C 111 58.394 58.394 57.742 0.652 18504 9373 1 19 . 1 1 111 111 GLU CB C 111 29.044 29.044 29.530 -0.486 18504 9374 1 19 . 1 1 111 111 GLU H H 111 8.018 8.018 8.447 -0.429 18504 9375 1 19 . 1 1 112 112 TYR N N 112 114.607 114.607 116.815 -2.208 18504 9376 1 19 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.526 -0.089 18504 9377 1 19 . 1 1 112 112 TYR C C 112 174.448 174.448 175.798 -1.350 18504 9378 1 19 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.956 -1.184 18504 9379 1 19 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.199 -0.212 18504 9380 1 19 . 1 1 112 112 TYR H H 112 7.905 7.905 7.616 0.289 18504 9381 1 19 . 1 1 113 113 VAL N N 113 118.003 118.003 120.581 -2.578 18504 9382 1 19 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.665 0.441 18504 9383 1 19 . 1 1 113 113 VAL C C 113 175.134 175.134 174.852 0.282 18504 9384 1 19 . 1 1 113 113 VAL CA C 113 62.687 62.687 64.758 -2.071 18504 9385 1 19 . 1 1 113 113 VAL CB C 113 34.228 34.228 32.104 2.124 18504 9386 1 19 . 1 1 113 113 VAL H H 113 6.976 6.976 8.520 -1.544 18504 9387 1 20 . 1 1 27 27 SER HA H 27 4.339 4.339 4.080 0.259 18504 9388 1 20 . 1 1 27 27 SER C C 27 175.743 175.743 173.447 2.296 18504 9389 1 20 . 1 1 27 27 SER CA C 27 60.497 60.497 60.519 -0.022 18504 9390 1 20 . 1 1 27 27 SER CB C 27 63.659 63.659 61.729 1.930 18504 9391 1 20 . 1 1 28 28 LYS N N 28 118.099 118.099 125.457 -7.358 18504 9392 1 20 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.557 0.661 18504 9393 1 20 . 1 1 28 28 LYS C C 28 175.699 175.699 175.575 0.124 18504 9394 1 20 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.644 -0.099 18504 9395 1 20 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.014 1.899 18504 9396 1 20 . 1 1 28 28 LYS H H 28 7.785 7.785 7.998 -0.213 18504 9397 1 20 . 1 1 29 29 GLN N N 29 122.481 122.481 125.082 -2.601 18504 9398 1 20 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.696 0.042 18504 9399 1 20 . 1 1 29 29 GLN C C 29 174.277 174.277 173.987 0.290 18504 9400 1 20 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.620 0.905 18504 9401 1 20 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.419 -0.549 18504 9402 1 20 . 1 1 29 29 GLN H H 29 9.283 9.283 8.360 0.923 18504 9403 1 20 . 1 1 30 30 GLU N N 30 122.881 122.881 120.630 2.251 18504 9404 1 20 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.797 -0.521 18504 9405 1 20 . 1 1 30 30 GLU C C 30 173.313 173.313 174.902 -1.589 18504 9406 1 20 . 1 1 30 30 GLU CA C 30 55.954 55.954 55.233 0.720 18504 9407 1 20 . 1 1 30 30 GLU CB C 30 31.054 31.054 32.007 -0.953 18504 9408 1 20 . 1 1 30 30 GLU H H 30 9.188 9.188 8.496 0.692 18504 9409 1 20 . 1 1 31 31 LEU N N 31 130.328 130.328 124.700 5.628 18504 9410 1 20 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.685 -0.392 18504 9411 1 20 . 1 1 31 31 LEU C C 31 171.909 171.909 176.132 -4.223 18504 9412 1 20 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.671 -0.390 18504 9413 1 20 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.474 -2.024 18504 9414 1 20 . 1 1 31 31 LEU H H 31 9.016 9.016 8.262 0.754 18504 9415 1 20 . 1 1 32 32 ILE N N 32 120.632 120.632 123.150 -2.518 18504 9416 1 20 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.132 1.396 18504 9417 1 20 . 1 1 32 32 ILE C C 32 175.735 175.735 175.361 0.374 18504 9418 1 20 . 1 1 32 32 ILE CA C 32 59.224 59.224 61.454 -2.230 18504 9419 1 20 . 1 1 32 32 ILE CB C 32 36.625 36.625 37.511 -0.886 18504 9420 1 20 . 1 1 32 32 ILE H H 32 8.738 8.738 8.467 0.271 18504 9421 1 20 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.765 -0.768 18504 9422 1 20 . 1 1 33 33 LEU C C 33 180.030 180.030 175.499 4.531 18504 9423 1 20 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.899 4.434 18504 9424 1 20 . 1 1 33 33 LEU CB C 33 41.433 41.433 44.654 -3.221 18504 9425 1 20 . 1 1 34 34 VAL N N 34 124.025 124.025 120.845 3.180 18504 9426 1 20 . 1 1 34 34 VAL HA H 34 3.617 3.617 3.904 -0.287 18504 9427 1 20 . 1 1 34 34 VAL C C 34 178.222 178.222 174.895 3.327 18504 9428 1 20 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.249 4.873 18504 9429 1 20 . 1 1 34 34 VAL CB C 34 37.942 37.942 32.525 5.417 18504 9430 1 20 . 1 1 34 34 VAL H H 34 7.751 7.751 8.223 -0.472 18504 9431 1 20 . 1 1 35 35 LEU N N 35 120.009 120.009 120.402 -0.393 18504 9432 1 20 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.483 -0.207 18504 9433 1 20 . 1 1 35 35 LEU C C 35 175.855 175.855 176.448 -0.593 18504 9434 1 20 . 1 1 35 35 LEU CA C 35 57.375 57.375 53.649 3.726 18504 9435 1 20 . 1 1 35 35 LEU CB C 35 43.089 43.089 44.001 -0.912 18504 9436 1 20 . 1 1 35 35 LEU H H 35 7.532 7.532 7.833 -0.301 18504 9437 1 20 . 1 1 36 36 LYS N N 36 115.805 115.805 126.812 -11.007 18504 9438 1 20 . 1 1 36 36 LYS C C 36 178.903 178.903 176.713 2.190 18504 9439 1 20 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.895 1.452 18504 9440 1 20 . 1 1 36 36 LYS CB C 36 32.903 32.903 32.862 0.041 18504 9441 1 20 . 1 1 36 36 LYS H H 36 7.501 7.501 8.756 -1.255 18504 9442 1 20 . 1 1 37 37 GLY N N 37 110.626 110.626 106.300 4.326 18504 9443 1 20 . 1 1 37 37 GLY C C 37 174.865 174.865 172.900 1.965 18504 9444 1 20 . 1 1 37 37 GLY CA C 37 47.466 47.466 44.777 2.689 18504 9445 1 20 . 1 1 37 37 GLY H H 37 8.811 8.811 8.005 0.806 18504 9446 1 20 . 1 1 38 38 GLU N N 38 116.098 116.098 118.793 -2.695 18504 9447 1 20 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.106 0.196 18504 9448 1 20 . 1 1 38 38 GLU C C 38 176.681 176.681 175.659 1.022 18504 9449 1 20 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.449 0.735 18504 9450 1 20 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.203 -1.374 18504 9451 1 20 . 1 1 38 38 GLU H H 38 8.763 8.763 8.552 0.211 18504 9452 1 20 . 1 1 39 39 LEU N N 39 119.439 119.439 124.306 -4.867 18504 9453 1 20 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.523 -0.257 18504 9454 1 20 . 1 1 39 39 LEU C C 39 176.016 176.016 175.947 0.069 18504 9455 1 20 . 1 1 39 39 LEU CA C 39 54.725 54.725 54.237 0.488 18504 9456 1 20 . 1 1 39 39 LEU CB C 39 43.602 43.602 40.727 2.875 18504 9457 1 20 . 1 1 39 39 LEU H H 39 7.167 7.167 8.351 -1.184 18504 9458 1 20 . 1 1 40 40 ASP N N 40 120.105 120.105 119.768 0.337 18504 9459 1 20 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.799 -0.071 18504 9460 1 20 . 1 1 40 40 ASP C C 40 178.198 178.198 175.751 2.447 18504 9461 1 20 . 1 1 40 40 ASP CA C 40 52.190 52.190 53.303 -1.113 18504 9462 1 20 . 1 1 40 40 ASP CB C 40 40.557 40.557 42.761 -2.204 18504 9463 1 20 . 1 1 40 40 ASP H H 40 8.596 8.596 7.994 0.602 18504 9464 1 20 . 1 1 41 41 LEU N N 41 125.023 125.023 121.553 3.470 18504 9465 1 20 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.122 -0.369 18504 9466 1 20 . 1 1 41 41 LEU C C 41 175.113 175.113 176.958 -1.845 18504 9467 1 20 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.139 1.528 18504 9468 1 20 . 1 1 41 41 LEU CB C 41 39.849 39.849 42.186 -2.337 18504 9469 1 20 . 1 1 41 41 LEU H H 41 9.029 9.029 8.506 0.523 18504 9470 1 20 . 1 1 42 42 HIS N N 42 113.184 113.184 121.019 -7.835 18504 9471 1 20 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.483 0.041 18504 9472 1 20 . 1 1 42 42 HIS C C 42 175.855 175.855 174.724 1.131 18504 9473 1 20 . 1 1 42 42 HIS CA C 42 55.916 55.916 57.745 -1.829 18504 9474 1 20 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.424 -0.287 18504 9475 1 20 . 1 1 42 42 HIS H H 42 8.065 8.065 8.556 -0.491 18504 9476 1 20 . 1 1 43 43 SER N N 43 116.013 116.013 113.949 2.064 18504 9477 1 20 . 1 1 43 43 SER HA H 43 4.524 4.524 4.674 -0.150 18504 9478 1 20 . 1 1 43 43 SER C C 43 174.426 174.426 173.893 0.533 18504 9479 1 20 . 1 1 43 43 SER CA C 43 58.206 58.206 58.281 -0.075 18504 9480 1 20 . 1 1 43 43 SER CB C 43 65.517 65.517 64.349 1.168 18504 9481 1 20 . 1 1 43 43 SER H H 43 7.511 7.511 8.068 -0.557 18504 9482 1 20 . 1 1 44 44 LYS N N 44 123.332 123.332 126.654 -3.322 18504 9483 1 20 . 1 1 44 44 LYS C C 44 177.791 177.791 177.808 -0.017 18504 9484 1 20 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.010 1.446 18504 9485 1 20 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.728 -2.556 18504 9486 1 20 . 1 1 44 44 LYS H H 44 8.846 8.846 8.684 0.162 18504 9487 1 20 . 1 1 45 45 ASN N N 45 118.501 118.501 117.515 0.986 18504 9488 1 20 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.366 0.104 18504 9489 1 20 . 1 1 45 45 ASN C C 45 177.817 177.817 177.101 0.716 18504 9490 1 20 . 1 1 45 45 ASN CA C 45 56.928 56.928 57.071 -0.143 18504 9491 1 20 . 1 1 45 45 ASN CB C 45 38.404 38.404 37.781 0.623 18504 9492 1 20 . 1 1 45 45 ASN H H 45 8.545 8.545 8.369 0.176 18504 9493 1 20 . 1 1 46 46 MET N N 46 116.171 116.171 116.164 0.007 18504 9494 1 20 . 1 1 46 46 MET HA H 46 4.471 4.471 4.355 0.116 18504 9495 1 20 . 1 1 46 46 MET C C 46 178.964 178.964 177.854 1.110 18504 9496 1 20 . 1 1 46 46 MET CA C 46 55.467 55.467 58.959 -3.492 18504 9497 1 20 . 1 1 46 46 MET CB C 46 29.707 29.707 31.840 -2.133 18504 9498 1 20 . 1 1 46 46 MET H H 46 7.379 7.379 8.124 -0.745 18504 9499 1 20 . 1 1 47 47 LYS N N 47 121.054 121.054 118.368 2.686 18504 9500 1 20 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.907 -0.023 18504 9501 1 20 . 1 1 47 47 LYS C C 47 179.310 179.310 178.043 1.267 18504 9502 1 20 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.423 0.916 18504 9503 1 20 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.999 -0.249 18504 9504 1 20 . 1 1 47 47 LYS H H 47 8.450 8.450 8.208 0.242 18504 9505 1 20 . 1 1 48 48 ASN N N 48 117.137 117.137 118.022 -0.885 18504 9506 1 20 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.449 -0.568 18504 9507 1 20 . 1 1 48 48 ASN C C 48 177.733 177.733 177.606 0.127 18504 9508 1 20 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.305 0.235 18504 9509 1 20 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.445 -0.112 18504 9510 1 20 . 1 1 48 48 ASN H H 48 7.896 7.896 7.817 0.079 18504 9511 1 20 . 1 1 49 49 VAL N N 49 121.225 121.225 119.587 1.638 18504 9512 1 20 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.670 0.009 18504 9513 1 20 . 1 1 49 49 VAL C C 49 176.675 176.675 178.003 -1.328 18504 9514 1 20 . 1 1 49 49 VAL CA C 49 66.434 66.434 65.003 1.431 18504 9515 1 20 . 1 1 49 49 VAL CB C 49 32.069 32.069 30.559 1.510 18504 9516 1 20 . 1 1 49 49 VAL H H 49 7.869 7.869 7.374 0.495 18504 9517 1 20 . 1 1 50 50 ILE N N 50 120.523 120.523 120.675 -0.152 18504 9518 1 20 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.402 0.848 18504 9519 1 20 . 1 1 50 50 ILE C C 50 179.831 179.831 178.194 1.637 18504 9520 1 20 . 1 1 50 50 ILE CA C 50 57.940 57.940 65.427 -7.487 18504 9521 1 20 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.239 2.873 18504 9522 1 20 . 1 1 50 50 ILE H H 50 8.093 8.093 7.501 0.592 18504 9523 1 20 . 1 1 51 51 ASN N N 51 117.280 117.280 118.252 -0.972 18504 9524 1 20 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.472 -0.453 18504 9525 1 20 . 1 1 51 51 ASN C C 51 178.496 178.496 177.659 0.837 18504 9526 1 20 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.132 0.480 18504 9527 1 20 . 1 1 51 51 ASN CB C 51 38.355 38.355 37.905 0.450 18504 9528 1 20 . 1 1 51 51 ASN H H 51 7.953 7.953 7.875 0.078 18504 9529 1 20 . 1 1 52 52 ASN N N 52 118.893 118.893 120.234 -1.341 18504 9530 1 20 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.448 -0.033 18504 9531 1 20 . 1 1 52 52 ASN C C 52 176.434 176.434 176.956 -0.522 18504 9532 1 20 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.636 0.134 18504 9533 1 20 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.428 -0.075 18504 9534 1 20 . 1 1 52 52 ASN H H 52 8.347 8.347 8.075 0.272 18504 9535 1 20 . 1 1 53 53 ALA N N 53 122.291 122.291 122.516 -0.225 18504 9536 1 20 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.046 0.468 18504 9537 1 20 . 1 1 53 53 ALA C C 53 180.689 180.689 179.666 1.023 18504 9538 1 20 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.026 -0.125 18504 9539 1 20 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.109 -0.208 18504 9540 1 20 . 1 1 53 53 ALA H H 53 7.706 7.706 8.588 -0.882 18504 9541 1 20 . 1 1 54 54 LYS N N 54 119.091 119.091 117.137 1.954 18504 9542 1 20 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.114 -0.277 18504 9543 1 20 . 1 1 54 54 LYS C C 54 178.066 178.066 178.789 -0.723 18504 9544 1 20 . 1 1 54 54 LYS CA C 54 60.306 60.306 58.732 1.574 18504 9545 1 20 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.312 -0.224 18504 9546 1 20 . 1 1 54 54 LYS H H 54 8.375 8.375 7.649 0.726 18504 9547 1 20 . 1 1 55 55 LYS N N 55 119.370 119.370 120.506 -1.136 18504 9548 1 20 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.984 -0.111 18504 9549 1 20 . 1 1 55 55 LYS C C 55 179.819 179.819 179.268 0.551 18504 9550 1 20 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.239 1.047 18504 9551 1 20 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.211 -0.221 18504 9552 1 20 . 1 1 55 55 LYS H H 55 8.259 8.259 7.765 0.494 18504 9553 1 20 . 1 1 56 56 ASN N N 56 119.303 119.303 118.354 0.949 18504 9554 1 20 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.285 0.124 18504 9555 1 20 . 1 1 56 56 ASN C C 56 178.899 178.899 177.023 1.876 18504 9556 1 20 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.704 0.036 18504 9557 1 20 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.243 -1.140 18504 9558 1 20 . 1 1 56 56 ASN H H 56 8.235 8.235 8.067 0.168 18504 9559 1 20 . 1 1 57 57 LEU N N 57 123.252 123.252 121.441 1.811 18504 9560 1 20 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.407 0.275 18504 9561 1 20 . 1 1 57 57 LEU C C 57 178.541 178.541 178.896 -0.355 18504 9562 1 20 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.367 -0.168 18504 9563 1 20 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.411 1.215 18504 9564 1 20 . 1 1 57 57 LEU H H 57 8.210 8.210 7.933 0.277 18504 9565 1 20 . 1 1 58 58 GLU N N 58 118.795 118.795 117.549 1.246 18504 9566 1 20 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.983 0.020 18504 9567 1 20 . 1 1 58 58 GLU C C 58 177.333 177.333 178.711 -1.378 18504 9568 1 20 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.250 1.895 18504 9569 1 20 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.697 1.615 18504 9570 1 20 . 1 1 58 58 GLU H H 58 8.846 8.846 8.457 0.389 18504 9571 1 20 . 1 1 59 59 LYS N N 59 118.325 118.325 120.323 -1.998 18504 9572 1 20 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.907 0.568 18504 9573 1 20 . 1 1 59 59 LYS C C 59 178.428 178.428 178.578 -0.150 18504 9574 1 20 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.169 0.976 18504 9575 1 20 . 1 1 59 59 LYS CB C 59 32.688 32.688 31.918 0.770 18504 9576 1 20 . 1 1 59 59 LYS H H 59 8.373 8.373 7.474 0.899 18504 9577 1 20 . 1 1 60 60 TYR N N 60 119.345 119.345 117.547 1.798 18504 9578 1 20 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.236 0.091 18504 9579 1 20 . 1 1 60 60 TYR C C 60 178.899 178.899 177.935 0.964 18504 9580 1 20 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.363 2.031 18504 9581 1 20 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.238 0.056 18504 9582 1 20 . 1 1 60 60 TYR H H 60 7.532 7.532 7.300 0.232 18504 9583 1 20 . 1 1 61 61 PHE N N 61 118.931 118.931 120.379 -1.448 18504 9584 1 20 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.249 0.079 18504 9585 1 20 . 1 1 61 61 PHE C C 61 178.450 178.450 177.120 1.330 18504 9586 1 20 . 1 1 61 61 PHE CA C 61 62.394 62.394 61.494 0.900 18504 9587 1 20 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.199 -1.276 18504 9588 1 20 . 1 1 61 61 PHE H H 61 8.607 8.607 8.091 0.516 18504 9589 1 20 . 1 1 62 62 LYS N N 62 118.337 118.337 117.870 0.467 18504 9590 1 20 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.150 0.152 18504 9591 1 20 . 1 1 62 62 LYS C C 62 178.333 178.333 177.876 0.457 18504 9592 1 20 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.664 0.647 18504 9593 1 20 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.373 0.476 18504 9594 1 20 . 1 1 62 62 LYS H H 62 8.615 8.615 8.412 0.202 18504 9595 1 20 . 1 1 63 63 GLU N N 63 116.360 116.360 117.809 -1.449 18504 9596 1 20 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.280 -0.354 18504 9597 1 20 . 1 1 63 63 GLU C C 63 177.317 177.317 177.771 -0.454 18504 9598 1 20 . 1 1 63 63 GLU CA C 63 58.316 58.316 57.797 0.519 18504 9599 1 20 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.613 -1.256 18504 9600 1 20 . 1 1 63 63 GLU H H 63 7.547 7.547 7.785 -0.238 18504 9601 1 20 . 1 1 64 64 HIS N N 64 113.580 113.580 116.686 -3.106 18504 9602 1 20 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.668 -0.247 18504 9603 1 20 . 1 1 64 64 HIS C C 64 173.911 173.911 174.808 -0.897 18504 9604 1 20 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.180 2.902 18504 9605 1 20 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.349 1.486 18504 9606 1 20 . 1 1 64 64 HIS H H 64 7.013 7.013 8.259 -1.246 18504 9607 1 20 . 1 1 65 65 PHE N N 65 119.434 119.434 117.167 2.267 18504 9608 1 20 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.069 0.867 18504 9609 1 20 . 1 1 65 65 PHE C C 65 175.232 175.232 174.894 0.338 18504 9610 1 20 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.402 -2.179 18504 9611 1 20 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.147 3.216 18504 9612 1 20 . 1 1 65 65 PHE H H 65 8.340 8.340 8.263 0.077 18504 9613 1 20 . 1 1 66 66 LYS N N 66 123.217 123.217 117.639 5.578 18504 9614 1 20 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.238 0.050 18504 9615 1 20 . 1 1 66 66 LYS C C 66 177.685 177.685 175.106 2.579 18504 9616 1 20 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.025 2.773 18504 9617 1 20 . 1 1 66 66 LYS CB C 66 32.473 32.473 35.166 -2.693 18504 9618 1 20 . 1 1 66 66 LYS H H 66 8.590 8.590 7.725 0.865 18504 9619 1 20 . 1 1 67 67 GLU N N 67 117.085 117.085 120.010 -2.925 18504 9620 1 20 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.277 0.084 18504 9621 1 20 . 1 1 67 67 GLU C C 67 175.770 175.770 174.358 1.412 18504 9622 1 20 . 1 1 67 67 GLU CA C 67 56.364 56.364 57.120 -0.756 18504 9623 1 20 . 1 1 67 67 GLU CB C 67 29.103 29.103 29.211 -0.108 18504 9624 1 20 . 1 1 67 67 GLU H H 67 8.969 8.969 8.242 0.727 18504 9625 1 20 . 1 1 68 68 PHE N N 68 121.127 121.127 125.574 -4.447 18504 9626 1 20 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.649 -0.377 18504 9627 1 20 . 1 1 68 68 PHE C C 68 173.621 173.621 174.450 -0.829 18504 9628 1 20 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.759 1.337 18504 9629 1 20 . 1 1 68 68 PHE CB C 68 40.772 40.772 41.453 -0.681 18504 9630 1 20 . 1 1 68 68 PHE H H 68 7.752 7.752 8.459 -0.707 18504 9631 1 20 . 1 1 69 69 ASP N N 69 125.720 125.720 118.670 7.050 18504 9632 1 20 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.289 0.314 18504 9633 1 20 . 1 1 69 69 ASP C C 69 173.387 173.387 174.777 -1.390 18504 9634 1 20 . 1 1 69 69 ASP CA C 69 54.881 54.881 55.221 -0.340 18504 9635 1 20 . 1 1 69 69 ASP CB C 69 41.806 41.806 41.106 0.700 18504 9636 1 20 . 1 1 69 69 ASP H H 69 7.767 7.767 8.139 -0.372 18504 9637 1 20 . 1 1 70 70 LYS N N 70 115.004 115.004 118.894 -3.890 18504 9638 1 20 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.595 -0.146 18504 9639 1 20 . 1 1 70 70 LYS C C 70 175.841 175.841 174.920 0.921 18504 9640 1 20 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.975 0.511 18504 9641 1 20 . 1 1 70 70 LYS CB C 70 34.781 34.781 36.674 -1.893 18504 9642 1 20 . 1 1 70 70 LYS H H 70 7.305 7.305 8.199 -0.894 18504 9643 1 20 . 1 1 71 71 ILE N N 71 122.809 122.809 119.263 3.546 18504 9644 1 20 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.409 0.300 18504 9645 1 20 . 1 1 71 71 ILE C C 71 175.120 175.120 174.823 0.297 18504 9646 1 20 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.135 -0.883 18504 9647 1 20 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.676 -1.374 18504 9648 1 20 . 1 1 71 71 ILE H H 71 9.522 9.522 8.388 1.134 18504 9649 1 20 . 1 1 72 72 SER N N 72 121.741 121.741 118.898 2.843 18504 9650 1 20 . 1 1 72 72 SER HA H 72 4.920 4.920 5.112 -0.192 18504 9651 1 20 . 1 1 72 72 SER C C 72 172.157 172.157 172.965 -0.808 18504 9652 1 20 . 1 1 72 72 SER CA C 72 57.730 57.730 56.729 1.001 18504 9653 1 20 . 1 1 72 72 SER CB C 72 65.634 65.634 65.837 -0.203 18504 9654 1 20 . 1 1 72 72 SER H H 72 8.760 8.760 8.166 0.594 18504 9655 1 20 . 1 1 73 73 TYR N N 73 118.245 118.245 117.036 1.209 18504 9656 1 20 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.870 0.851 18504 9657 1 20 . 1 1 73 73 TYR C C 73 173.231 173.231 173.441 -0.210 18504 9658 1 20 . 1 1 73 73 TYR CA C 73 56.230 56.230 57.099 -0.869 18504 9659 1 20 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.965 1.417 18504 9660 1 20 . 1 1 73 73 TYR H H 73 8.275 8.275 8.492 -0.217 18504 9661 1 20 . 1 1 74 74 ASP N N 74 120.379 120.379 120.077 0.302 18504 9662 1 20 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.775 0.280 18504 9663 1 20 . 1 1 74 74 ASP C C 74 174.827 174.827 173.856 0.971 18504 9664 1 20 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.296 0.305 18504 9665 1 20 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.871 0.769 18504 9666 1 20 . 1 1 74 74 ASP H H 74 9.332 9.332 8.421 0.911 18504 9667 1 20 . 1 1 75 75 ILE HA H 75 4.584 4.584 5.150 -0.566 18504 9668 1 20 . 1 1 75 75 ILE C C 75 177.411 177.411 175.517 1.894 18504 9669 1 20 . 1 1 75 75 ILE CA C 75 59.209 59.209 59.947 -0.738 18504 9670 1 20 . 1 1 75 75 ILE CB C 75 40.768 40.768 42.173 -1.405 18504 9671 1 20 . 1 1 75 75 ILE H H 75 7.501 7.501 8.370 -0.869 18504 9672 1 20 . 1 1 76 76 SER N N 76 117.836 117.836 118.282 -0.446 18504 9673 1 20 . 1 1 76 76 SER HA H 76 5.450 5.450 4.819 0.631 18504 9674 1 20 . 1 1 76 76 SER C C 76 173.767 173.767 172.846 0.921 18504 9675 1 20 . 1 1 76 76 SER CA C 76 57.758 57.758 57.933 -0.175 18504 9676 1 20 . 1 1 76 76 SER CB C 76 64.462 64.462 65.037 -0.575 18504 9677 1 20 . 1 1 76 76 SER H H 76 9.050 9.050 8.888 0.162 18504 9678 1 20 . 1 1 77 77 THR N N 77 117.435 117.435 110.764 6.671 18504 9679 1 20 . 1 1 77 77 THR HA H 77 4.959 4.959 4.087 0.872 18504 9680 1 20 . 1 1 77 77 THR C C 77 172.636 172.636 173.973 -1.337 18504 9681 1 20 . 1 1 77 77 THR CA C 77 58.870 58.870 62.483 -3.613 18504 9682 1 20 . 1 1 77 77 THR CB C 77 69.935 69.935 68.278 1.657 18504 9683 1 20 . 1 1 77 77 THR H H 77 8.601 8.601 8.264 0.337 18504 9684 1 20 . 1 1 78 78 PRO C C 78 179.328 179.328 176.623 2.705 18504 9685 1 20 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.993 -1.510 18504 9686 1 20 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.811 0.351 18504 9687 1 20 . 1 1 79 79 ILE N N 79 120.707 120.707 117.092 3.615 18504 9688 1 20 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.286 0.335 18504 9689 1 20 . 1 1 79 79 ILE C C 79 177.212 177.212 175.348 1.864 18504 9690 1 20 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.081 5.840 18504 9691 1 20 . 1 1 79 79 ILE CB C 79 37.468 37.468 36.380 1.088 18504 9692 1 20 . 1 1 79 79 ILE H H 79 8.227 8.227 7.636 0.591 18504 9693 1 20 . 1 1 80 80 ASN N N 80 118.168 118.168 118.195 -0.027 18504 9694 1 20 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.368 0.062 18504 9695 1 20 . 1 1 80 80 ASN C C 80 178.172 178.172 173.601 4.571 18504 9696 1 20 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.205 2.558 18504 9697 1 20 . 1 1 80 80 ASN CB C 80 38.087 38.087 37.973 0.114 18504 9698 1 20 . 1 1 80 80 ASN H H 80 8.466 8.466 7.753 0.713 18504 9699 1 20 . 1 1 81 81 PHE N N 81 129.059 129.059 121.202 7.857 18504 9700 1 20 . 1 1 81 81 PHE C C 81 174.016 174.016 174.294 -0.278 18504 9701 1 20 . 1 1 81 81 PHE CA C 81 54.819 54.819 57.357 -2.538 18504 9702 1 20 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.080 -2.307 18504 9703 1 20 . 1 1 81 81 PHE H H 81 9.152 9.152 8.924 0.228 18504 9704 1 20 . 1 1 82 82 LEU N N 82 124.640 124.640 127.243 -2.603 18504 9705 1 20 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.745 0.248 18504 9706 1 20 . 1 1 82 82 LEU C C 82 173.695 173.695 175.002 -1.307 18504 9707 1 20 . 1 1 82 82 LEU CA C 82 53.750 53.750 54.174 -0.424 18504 9708 1 20 . 1 1 82 82 LEU CB C 82 44.936 44.936 42.661 2.275 18504 9709 1 20 . 1 1 82 82 LEU H H 82 9.147 9.147 8.280 0.867 18504 9710 1 20 . 1 1 83 83 CYS N N 83 126.066 126.066 125.663 0.403 18504 9711 1 20 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.514 0.724 18504 9712 1 20 . 1 1 83 83 CYS C C 83 173.733 173.733 173.780 -0.047 18504 9713 1 20 . 1 1 83 83 CYS CA C 83 56.361 56.361 58.476 -2.115 18504 9714 1 20 . 1 1 83 83 CYS CB C 83 28.374 28.374 27.427 0.947 18504 9715 1 20 . 1 1 83 83 CYS H H 83 9.065 9.065 8.325 0.740 18504 9716 1 20 . 1 1 84 84 ILE N N 84 126.110 126.110 125.919 0.191 18504 9717 1 20 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.148 0.211 18504 9718 1 20 . 1 1 84 84 ILE C C 84 174.745 174.745 174.618 0.127 18504 9719 1 20 . 1 1 84 84 ILE CA C 84 60.519 60.519 61.376 -0.857 18504 9720 1 20 . 1 1 84 84 ILE CB C 84 40.358 40.358 39.369 0.989 18504 9721 1 20 . 1 1 84 84 ILE H H 84 9.426 9.426 8.155 1.271 18504 9722 1 20 . 1 1 85 85 PHE N N 85 126.315 126.315 126.860 -0.545 18504 9723 1 20 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.914 0.105 18504 9724 1 20 . 1 1 85 85 PHE C C 85 175.358 175.358 175.021 0.337 18504 9725 1 20 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.499 1.232 18504 9726 1 20 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.630 -1.888 18504 9727 1 20 . 1 1 85 85 PHE H H 85 8.337 8.337 8.043 0.294 18504 9728 1 20 . 1 1 86 86 ILE N N 86 126.561 126.561 125.286 1.275 18504 9729 1 20 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.839 0.064 18504 9730 1 20 . 1 1 86 86 ILE C C 86 173.967 173.967 173.607 0.360 18504 9731 1 20 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.154 -1.768 18504 9732 1 20 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.900 -2.089 18504 9733 1 20 . 1 1 86 86 ILE H H 86 9.161 9.161 8.651 0.510 18504 9734 1 20 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.808 0.214 18504 9735 1 20 . 1 1 87 87 PRO C C 87 177.938 177.938 175.699 2.239 18504 9736 1 20 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.746 -0.238 18504 9737 1 20 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.478 1.056 18504 9738 1 20 . 1 1 88 88 THR N N 88 113.282 113.282 119.106 -5.824 18504 9739 1 20 . 1 1 88 88 THR HA H 88 4.486 4.486 4.617 -0.131 18504 9740 1 20 . 1 1 88 88 THR C C 88 176.082 176.082 173.131 2.951 18504 9741 1 20 . 1 1 88 88 THR CA C 88 60.306 60.306 62.055 -1.749 18504 9742 1 20 . 1 1 88 88 THR CB C 88 66.727 66.727 72.919 -6.192 18504 9743 1 20 . 1 1 88 88 THR H H 88 8.003 8.003 8.344 -0.341 18504 9744 1 20 . 1 1 89 89 LEU N N 89 122.317 122.317 124.482 -2.165 18504 9745 1 20 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.669 -0.660 18504 9746 1 20 . 1 1 89 89 LEU C C 89 175.776 175.776 176.929 -1.153 18504 9747 1 20 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.188 -0.219 18504 9748 1 20 . 1 1 89 89 LEU CB C 89 41.996 41.996 43.248 -1.252 18504 9749 1 20 . 1 1 89 89 LEU H H 89 7.822 7.822 8.739 -0.917 18504 9750 1 20 . 1 1 90 90 PHE N N 90 114.801 114.801 119.498 -4.697 18504 9751 1 20 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.246 1.314 18504 9752 1 20 . 1 1 90 90 PHE C C 90 175.869 175.869 174.278 1.591 18504 9753 1 20 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.537 -3.441 18504 9754 1 20 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.507 1.600 18504 9755 1 20 . 1 1 90 90 PHE H H 90 7.110 7.110 7.708 -0.598 18504 9756 1 20 . 1 1 91 91 ASP N N 91 127.244 127.244 124.852 2.392 18504 9757 1 20 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.229 0.328 18504 9758 1 20 . 1 1 91 91 ASP C C 91 175.684 175.684 175.554 0.130 18504 9759 1 20 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.199 -1.230 18504 9760 1 20 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.231 0.985 18504 9761 1 20 . 1 1 91 91 ASP H H 91 9.852 9.852 8.219 1.633 18504 9762 1 20 . 1 1 92 92 MET N N 92 113.730 113.730 122.038 -8.308 18504 9763 1 20 . 1 1 92 92 MET HA H 92 4.278 4.278 4.337 -0.059 18504 9764 1 20 . 1 1 92 92 MET C C 92 177.571 177.571 176.111 1.460 18504 9765 1 20 . 1 1 92 92 MET CA C 92 58.815 58.815 55.242 3.573 18504 9766 1 20 . 1 1 92 92 MET CB C 92 32.010 32.010 32.188 -0.178 18504 9767 1 20 . 1 1 92 92 MET H H 92 8.574 8.574 8.107 0.467 18504 9768 1 20 . 1 1 93 93 ASN N N 93 115.175 115.175 121.570 -6.395 18504 9769 1 20 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.327 0.422 18504 9770 1 20 . 1 1 93 93 ASN C C 93 176.300 176.300 174.206 2.094 18504 9771 1 20 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.295 0.898 18504 9772 1 20 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.502 0.924 18504 9773 1 20 . 1 1 93 93 ASN H H 93 8.576 8.576 8.940 -0.364 18504 9774 1 20 . 1 1 94 94 ASN N N 94 119.005 119.005 115.300 3.705 18504 9775 1 20 . 1 1 94 94 ASN HA H 94 5.191 5.191 3.402 1.789 18504 9776 1 20 . 1 1 94 94 ASN C C 94 177.230 177.230 174.412 2.818 18504 9777 1 20 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.328 -1.697 18504 9778 1 20 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.408 0.685 18504 9779 1 20 . 1 1 94 94 ASN H H 94 8.049 8.049 7.779 0.270 18504 9780 1 20 . 1 1 95 95 MET N N 95 117.771 117.771 111.828 5.943 18504 9781 1 20 . 1 1 95 95 MET HA H 95 4.048 4.048 4.703 -0.655 18504 9782 1 20 . 1 1 95 95 MET C C 95 178.005 178.005 175.758 2.247 18504 9783 1 20 . 1 1 95 95 MET CA C 95 58.275 58.275 56.945 1.330 18504 9784 1 20 . 1 1 95 95 MET CB C 95 32.327 32.327 33.953 -1.626 18504 9785 1 20 . 1 1 95 95 MET H H 95 7.489 7.489 7.791 -0.302 18504 9786 1 20 . 1 1 96 96 ASP N N 96 115.629 115.629 119.909 -4.280 18504 9787 1 20 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.567 0.036 18504 9788 1 20 . 1 1 96 96 ASP C C 96 175.593 175.593 175.517 0.076 18504 9789 1 20 . 1 1 96 96 ASP CA C 96 54.940 54.940 56.053 -1.113 18504 9790 1 20 . 1 1 96 96 ASP CB C 96 39.445 39.445 39.726 -0.281 18504 9791 1 20 . 1 1 96 96 ASP H H 96 7.777 7.777 8.670 -0.893 18504 9792 1 20 . 1 1 97 97 LEU N N 97 116.343 116.343 109.336 7.007 18504 9793 1 20 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.003 0.614 18504 9794 1 20 . 1 1 97 97 LEU C C 97 174.835 174.835 176.242 -1.407 18504 9795 1 20 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.879 -1.446 18504 9796 1 20 . 1 1 97 97 LEU CB C 97 39.082 39.082 39.844 -0.762 18504 9797 1 20 . 1 1 97 97 LEU H H 97 8.027 8.027 7.858 0.169 18504 9798 1 20 . 1 1 98 98 LEU N N 98 118.769 118.769 120.515 -1.746 18504 9799 1 20 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.185 -0.821 18504 9800 1 20 . 1 1 98 98 LEU C C 98 177.586 177.586 178.507 -0.921 18504 9801 1 20 . 1 1 98 98 LEU CA C 98 57.219 57.219 56.178 1.041 18504 9802 1 20 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.370 -2.270 18504 9803 1 20 . 1 1 98 98 LEU H H 98 7.798 7.798 7.811 -0.013 18504 9804 1 20 . 1 1 99 99 LYS N N 99 117.567 117.567 117.478 0.089 18504 9805 1 20 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.945 -0.529 18504 9806 1 20 . 1 1 99 99 LYS C C 99 177.639 177.639 178.946 -1.307 18504 9807 1 20 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.347 1.486 18504 9808 1 20 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.798 0.246 18504 9809 1 20 . 1 1 99 99 LYS H H 99 7.603 7.603 8.336 -0.733 18504 9810 1 20 . 1 1 100 100 GLN N N 100 114.564 114.564 119.018 -4.454 18504 9811 1 20 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.124 -0.312 18504 9812 1 20 . 1 1 100 100 GLN C C 100 178.165 178.165 177.537 0.628 18504 9813 1 20 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.789 -0.005 18504 9814 1 20 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.715 -1.232 18504 9815 1 20 . 1 1 100 100 GLN H H 100 7.625 7.625 7.546 0.079 18504 9816 1 20 . 1 1 101 101 ALA N N 101 121.499 121.499 123.255 -1.756 18504 9817 1 20 . 1 1 101 101 ALA HA H 101 3.288 3.288 3.955 -0.667 18504 9818 1 20 . 1 1 101 101 ALA C C 101 178.865 178.865 179.672 -0.807 18504 9819 1 20 . 1 1 101 101 ALA CA C 101 54.964 54.964 55.463 -0.499 18504 9820 1 20 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.502 -0.640 18504 9821 1 20 . 1 1 101 101 ALA H H 101 7.355 7.355 8.057 -0.702 18504 9822 1 20 . 1 1 102 102 LEU N N 102 115.061 115.061 114.502 0.559 18504 9823 1 20 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.177 0.589 18504 9824 1 20 . 1 1 102 102 LEU C C 102 179.324 179.324 178.701 0.623 18504 9825 1 20 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.862 -0.366 18504 9826 1 20 . 1 1 102 102 LEU CB C 102 41.728 41.728 41.473 0.255 18504 9827 1 20 . 1 1 102 102 LEU H H 102 7.941 7.941 7.729 0.212 18504 9828 1 20 . 1 1 103 103 LEU N N 103 115.920 115.920 120.110 -4.190 18504 9829 1 20 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.191 0.646 18504 9830 1 20 . 1 1 103 103 LEU C C 103 178.500 178.500 179.375 -0.875 18504 9831 1 20 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.589 -2.700 18504 9832 1 20 . 1 1 103 103 LEU CB C 103 43.766 43.766 42.175 1.591 18504 9833 1 20 . 1 1 103 103 LEU H H 103 8.266 8.266 7.341 0.925 18504 9834 1 20 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.168 0.467 18504 9835 1 20 . 1 1 105 105 LEU C C 105 175.743 175.743 178.385 -2.642 18504 9836 1 20 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.230 -0.133 18504 9837 1 20 . 1 1 105 105 LEU CB C 105 38.778 38.778 41.085 -2.307 18504 9838 1 20 . 1 1 106 106 HIS N N 106 122.167 122.167 119.170 2.997 18504 9839 1 20 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.270 -0.004 18504 9840 1 20 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.821 -2.707 18504 9841 1 20 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.764 -0.639 18504 9842 1 20 . 1 1 106 106 HIS H H 106 8.252 8.252 7.763 0.489 18504 9843 1 20 . 1 1 107 107 ASN C C 107 179.694 179.694 178.129 1.565 18504 9844 1 20 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.127 2.204 18504 9845 1 20 . 1 1 107 107 ASN CB C 107 41.997 41.997 37.879 4.118 18504 9846 1 20 . 1 1 108 108 ASP N N 108 122.462 122.462 120.451 2.011 18504 9847 1 20 . 1 1 108 108 ASP C C 108 179.328 179.328 176.818 2.510 18504 9848 1 20 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.579 1.110 18504 9849 1 20 . 1 1 108 108 ASP CB C 108 42.040 42.040 40.774 1.266 18504 9850 1 20 . 1 1 108 108 ASP H H 108 8.174 8.174 7.869 0.305 18504 9851 1 20 . 1 1 109 109 LEU N N 109 115.664 115.664 116.764 -1.100 18504 9852 1 20 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.360 0.492 18504 9853 1 20 . 1 1 109 109 LEU C C 109 178.510 178.510 177.433 1.077 18504 9854 1 20 . 1 1 109 109 LEU CA C 109 55.154 55.154 54.710 0.444 18504 9855 1 20 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.541 1.607 18504 9856 1 20 . 1 1 109 109 LEU H H 109 8.380 8.380 7.396 0.984 18504 9857 1 20 . 1 1 110 110 HIS N N 110 118.905 118.905 118.699 0.206 18504 9858 1 20 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.232 -0.322 18504 9859 1 20 . 1 1 110 110 HIS C C 110 176.152 176.152 176.084 0.068 18504 9860 1 20 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.824 2.188 18504 9861 1 20 . 1 1 110 110 HIS CB C 110 28.112 28.112 30.200 -2.088 18504 9862 1 20 . 1 1 110 110 HIS H H 110 8.518 8.518 7.855 0.663 18504 9863 1 20 . 1 1 111 111 GLU N N 111 117.923 117.923 116.910 1.013 18504 9864 1 20 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.286 -0.555 18504 9865 1 20 . 1 1 111 111 GLU C C 111 176.596 176.596 176.715 -0.119 18504 9866 1 20 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.281 0.113 18504 9867 1 20 . 1 1 111 111 GLU CB C 111 29.044 29.044 30.875 -1.831 18504 9868 1 20 . 1 1 111 111 GLU H H 111 8.018 8.018 8.367 -0.349 18504 9869 1 20 . 1 1 112 112 TYR N N 112 114.607 114.607 114.385 0.222 18504 9870 1 20 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.324 0.113 18504 9871 1 20 . 1 1 112 112 TYR C C 112 174.448 174.448 173.684 0.764 18504 9872 1 20 . 1 1 112 112 TYR CA C 112 57.772 57.772 58.579 -0.807 18504 9873 1 20 . 1 1 112 112 TYR CB C 112 39.987 39.987 39.900 0.087 18504 9874 1 20 . 1 1 112 112 TYR H H 112 7.905 7.905 8.330 -0.425 18504 9875 1 20 . 1 1 113 113 VAL N N 113 118.003 118.003 121.388 -3.385 18504 9876 1 20 . 1 1 113 113 VAL HA H 113 4.106 4.106 4.023 0.083 18504 9877 1 20 . 1 1 113 113 VAL C C 113 175.134 175.134 175.666 -0.532 18504 9878 1 20 . 1 1 113 113 VAL CA C 113 62.687 62.687 62.891 -0.204 18504 9879 1 20 . 1 1 113 113 VAL CB C 113 34.228 34.228 32.380 1.848 18504 9880 1 20 . 1 1 113 113 VAL H H 113 6.976 6.976 7.906 -0.930 18504 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 79 3.642 0.530 3.626 18504 2 1 1 "Average Difference" HA 79 0.474 -0.060 0.473 18504 3 1 1 "Average Difference" C 85 1.629 -0.558 1.539 18504 4 1 1 "Average Difference" CA 86 1.999 -0.262 1.993 18504 5 1 1 "Average Difference" CB 85 1.662 0.221 1.657 18504 6 1 1 "Average Difference" HN 80 0.707 -0.112 0.703 18504 7 1 2 "Average Difference" N 79 3.673 -0.177 3.692 18504 8 1 2 "Average Difference" HA 79 0.437 -0.049 0.437 18504 9 1 2 "Average Difference" C 85 1.637 -0.429 1.589 18504 10 1 2 "Average Difference" CA 86 1.890 -0.134 1.896 18504 11 1 2 "Average Difference" CB 85 1.787 0.107 1.794 18504 12 1 2 "Average Difference" HN 80 0.651 -0.125 0.643 18504 13 1 3 "Average Difference" N 79 3.516 0.865 3.430 18504 14 1 3 "Average Difference" HA 79 0.482 -0.071 0.480 18504 15 1 3 "Average Difference" C 85 1.749 -0.623 1.644 18504 16 1 3 "Average Difference" CA 86 1.932 -0.230 1.930 18504 17 1 3 "Average Difference" CB 85 1.649 0.173 1.649 18504 18 1 3 "Average Difference" HN 80 0.675 -0.125 0.668 18504 19 1 4 "Average Difference" N 79 3.410 0.138 3.429 18504 20 1 4 "Average Difference" HA 79 0.460 -0.042 0.461 18504 21 1 4 "Average Difference" C 85 1.690 -0.452 1.639 18504 22 1 4 "Average Difference" CA 86 1.891 -0.179 1.893 18504 23 1 4 "Average Difference" CB 85 1.800 0.172 1.802 18504 24 1 4 "Average Difference" HN 80 0.705 -0.143 0.695 18504 25 1 5 "Average Difference" N 79 3.738 0.177 3.757 18504 26 1 5 "Average Difference" HA 79 0.470 -0.031 0.472 18504 27 1 5 "Average Difference" C 85 1.669 -0.535 1.590 18504 28 1 5 "Average Difference" CA 86 2.048 -0.172 2.053 18504 29 1 5 "Average Difference" CB 85 1.772 0.342 1.749 18504 30 1 5 "Average Difference" HN 80 0.656 -0.092 0.654 18504 31 1 6 "Average Difference" N 79 3.986 0.274 4.002 18504 32 1 6 "Average Difference" HA 79 0.474 -0.089 0.469 18504 33 1 6 "Average Difference" C 85 1.606 -0.409 1.563 18504 34 1 6 "Average Difference" CA 86 1.888 -0.155 1.893 18504 35 1 6 "Average Difference" CB 85 1.778 0.026 1.789 18504 36 1 6 "Average Difference" HN 80 0.667 -0.083 0.666 18504 37 1 7 "Average Difference" N 79 3.852 0.333 3.862 18504 38 1 7 "Average Difference" HA 79 0.481 -0.041 0.482 18504 39 1 7 "Average Difference" C 85 1.688 -0.382 1.654 18504 40 1 7 "Average Difference" CA 86 1.947 -0.127 1.954 18504 41 1 7 "Average Difference" CB 85 1.863 0.074 1.873 18504 42 1 7 "Average Difference" HN 80 0.740 -0.138 0.732 18504 43 1 8 "Average Difference" N 79 3.753 0.549 3.737 18504 44 1 8 "Average Difference" HA 79 0.487 -0.086 0.483 18504 45 1 8 "Average Difference" C 85 1.646 -0.502 1.577 18504 46 1 8 "Average Difference" CA 86 1.986 -0.080 1.996 18504 47 1 8 "Average Difference" CB 85 1.731 0.214 1.728 18504 48 1 8 "Average Difference" HN 80 0.721 -0.143 0.711 18504 49 1 9 "Average Difference" N 79 3.822 0.304 3.834 18504 50 1 9 "Average Difference" HA 79 0.514 -0.070 0.512 18504 51 1 9 "Average Difference" C 85 1.695 -0.537 1.617 18504 52 1 9 "Average Difference" CA 86 2.088 -0.182 2.092 18504 53 1 9 "Average Difference" CB 85 1.713 0.079 1.721 18504 54 1 9 "Average Difference" HN 80 0.675 -0.169 0.658 18504 55 1 10 "Average Difference" N 79 3.973 0.753 3.926 18504 56 1 10 "Average Difference" HA 79 0.429 -0.088 0.422 18504 57 1 10 "Average Difference" C 85 1.662 -0.477 1.601 18504 58 1 10 "Average Difference" CA 86 1.765 -0.125 1.771 18504 59 1 10 "Average Difference" CB 85 1.643 0.028 1.653 18504 60 1 10 "Average Difference" HN 80 0.711 -0.088 0.710 18504 61 1 11 "Average Difference" N 79 3.664 0.201 3.682 18504 62 1 11 "Average Difference" HA 79 0.474 -0.077 0.471 18504 63 1 11 "Average Difference" C 85 1.702 -0.494 1.638 18504 64 1 11 "Average Difference" CA 86 2.053 -0.097 2.063 18504 65 1 11 "Average Difference" CB 85 2.006 0.216 2.007 18504 66 1 11 "Average Difference" HN 80 0.730 -0.122 0.724 18504 67 1 12 "Average Difference" N 79 3.405 0.908 3.303 18504 68 1 12 "Average Difference" HA 79 0.483 -0.075 0.481 18504 69 1 12 "Average Difference" C 85 1.680 -0.454 1.627 18504 70 1 12 "Average Difference" CA 86 2.149 -0.217 2.150 18504 71 1 12 "Average Difference" CB 85 1.688 0.110 1.695 18504 72 1 12 "Average Difference" HN 80 0.667 -0.011 0.671 18504 73 1 13 "Average Difference" N 79 3.958 0.464 3.956 18504 74 1 13 "Average Difference" HA 79 0.461 -0.104 0.452 18504 75 1 13 "Average Difference" C 85 1.688 -0.461 1.634 18504 76 1 13 "Average Difference" CA 86 2.179 -0.177 2.185 18504 77 1 13 "Average Difference" CB 85 1.901 0.112 1.909 18504 78 1 13 "Average Difference" HN 80 0.714 -0.128 0.706 18504 79 1 14 "Average Difference" N 79 3.748 0.513 3.736 18504 80 1 14 "Average Difference" HA 79 0.526 -0.080 0.523 18504 81 1 14 "Average Difference" C 85 1.565 -0.462 1.504 18504 82 1 14 "Average Difference" CA 86 2.161 -0.153 2.168 18504 83 1 14 "Average Difference" CB 85 1.862 0.186 1.863 18504 84 1 14 "Average Difference" HN 80 0.669 -0.087 0.667 18504 85 1 15 "Average Difference" N 79 3.547 0.638 3.511 18504 86 1 15 "Average Difference" HA 79 0.466 -0.044 0.467 18504 87 1 15 "Average Difference" C 85 1.701 -0.567 1.613 18504 88 1 15 "Average Difference" CA 86 2.009 -0.242 2.006 18504 89 1 15 "Average Difference" CB 85 1.804 0.044 1.814 18504 90 1 15 "Average Difference" HN 80 0.704 -0.140 0.695 18504 91 1 16 "Average Difference" N 79 3.522 0.519 3.506 18504 92 1 16 "Average Difference" HA 79 0.495 -0.109 0.486 18504 93 1 16 "Average Difference" C 85 1.635 -0.503 1.565 18504 94 1 16 "Average Difference" CA 86 1.913 -0.130 1.920 18504 95 1 16 "Average Difference" CB 85 1.662 0.155 1.664 18504 96 1 16 "Average Difference" HN 80 0.658 -0.067 0.659 18504 97 1 17 "Average Difference" N 79 3.696 0.481 3.688 18504 98 1 17 "Average Difference" HA 79 0.488 -0.057 0.488 18504 99 1 17 "Average Difference" C 85 1.668 -0.574 1.576 18504 100 1 17 "Average Difference" CA 86 2.102 -0.240 2.100 18504 101 1 17 "Average Difference" CB 85 1.716 0.166 1.718 18504 102 1 17 "Average Difference" HN 80 0.707 -0.145 0.696 18504 103 1 18 "Average Difference" N 79 4.116 0.778 4.068 18504 104 1 18 "Average Difference" HA 79 0.519 -0.085 0.515 18504 105 1 18 "Average Difference" C 85 1.750 -0.566 1.665 18504 106 1 18 "Average Difference" CA 86 2.029 -0.414 1.997 18504 107 1 18 "Average Difference" CB 85 1.703 0.146 1.707 18504 108 1 18 "Average Difference" HN 80 0.695 -0.093 0.693 18504 109 1 19 "Average Difference" N 79 3.841 0.694 3.802 18504 110 1 19 "Average Difference" HA 79 0.507 -0.060 0.507 18504 111 1 19 "Average Difference" C 85 1.774 -0.497 1.713 18504 112 1 19 "Average Difference" CA 86 2.064 -0.179 2.068 18504 113 1 19 "Average Difference" CB 85 1.707 0.242 1.700 18504 114 1 19 "Average Difference" HN 80 0.712 -0.085 0.711 18504 115 1 20 "Average Difference" N 79 3.670 0.187 3.689 18504 116 1 20 "Average Difference" HA 79 0.503 -0.095 0.497 18504 117 1 20 "Average Difference" C 85 1.587 -0.521 1.508 18504 118 1 20 "Average Difference" CA 86 1.975 -0.165 1.980 18504 119 1 20 "Average Difference" CB 85 1.750 0.077 1.758 18504 120 1 20 "Average Difference" HN 80 0.648 -0.122 0.640 18504 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 18504 _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 27 27 SER HA H 27 4.339 4.339 4.583 -0.243 18504 2 1 . 1 1 27 27 SER C C 27 175.743 175.743 173.070 2.673 18504 3 1 . 1 1 27 27 SER CA C 27 60.497 60.497 58.831 1.666 18504 4 1 . 1 1 27 27 SER CB C 27 63.659 63.659 63.974 -0.315 18504 5 1 . 1 1 28 28 LYS N N 28 118.099 118.099 123.031 -4.932 18504 6 1 . 1 1 28 28 LYS HA H 28 5.218 5.218 4.554 0.664 18504 7 1 . 1 1 28 28 LYS C C 28 175.699 175.699 175.339 0.360 18504 8 1 . 1 1 28 28 LYS CA C 28 55.545 55.545 55.877 -0.332 18504 9 1 . 1 1 28 28 LYS CB C 28 35.913 35.913 34.060 1.853 18504 10 1 . 1 1 28 28 LYS H H 28 7.785 7.785 8.347 -0.562 18504 11 1 . 1 1 29 29 GLN N N 29 122.481 122.481 123.474 -0.993 18504 12 1 . 1 1 29 29 GLN HA H 29 4.738 4.738 4.598 0.140 18504 13 1 . 1 1 29 29 GLN C C 29 174.277 174.277 173.800 0.477 18504 14 1 . 1 1 29 29 GLN CA C 29 55.525 55.525 54.772 0.753 18504 15 1 . 1 1 29 29 GLN CB C 29 32.870 32.870 33.059 -0.189 18504 16 1 . 1 1 29 29 GLN H H 29 9.283 9.283 8.381 0.902 18504 17 1 . 1 1 30 30 GLU N N 30 122.881 122.881 121.698 1.183 18504 18 1 . 1 1 30 30 GLU HA H 30 4.276 4.276 4.824 -0.548 18504 19 1 . 1 1 30 30 GLU C C 30 173.313 173.313 174.805 -1.492 18504 20 1 . 1 1 30 30 GLU CA C 30 55.954 55.954 54.734 1.220 18504 21 1 . 1 1 30 30 GLU CB C 30 31.054 31.054 31.655 -0.601 18504 22 1 . 1 1 30 30 GLU H H 30 9.188 9.188 8.445 0.743 18504 23 1 . 1 1 31 31 LEU N N 31 130.328 130.328 124.964 5.364 18504 24 1 . 1 1 31 31 LEU HA H 31 4.293 4.293 4.630 -0.337 18504 25 1 . 1 1 31 31 LEU C C 31 171.909 171.909 176.025 -4.116 18504 26 1 . 1 1 31 31 LEU CA C 31 53.281 53.281 53.858 -0.577 18504 27 1 . 1 1 31 31 LEU CB C 31 42.450 42.450 44.190 -1.740 18504 28 1 . 1 1 31 31 LEU H H 31 9.016 9.016 8.328 0.688 18504 29 1 . 1 1 32 32 ILE N N 32 120.632 120.632 121.713 -1.081 18504 30 1 . 1 1 32 32 ILE HA H 32 5.528 5.528 4.457 1.071 18504 31 1 . 1 1 32 32 ILE C C 32 175.735 175.735 175.122 0.613 18504 32 1 . 1 1 32 32 ILE CA C 32 59.224 59.224 60.271 -1.047 18504 33 1 . 1 1 32 32 ILE CB C 32 36.625 36.625 38.146 -1.521 18504 34 1 . 1 1 32 32 ILE H H 32 8.738 8.738 8.280 0.458 18504 35 1 . 1 1 33 33 LEU HA H 33 3.997 3.997 4.673 -0.676 18504 36 1 . 1 1 33 33 LEU C C 33 180.030 180.030 175.129 4.901 18504 37 1 . 1 1 33 33 LEU CA C 33 58.333 58.333 53.803 4.530 18504 38 1 . 1 1 33 33 LEU CB C 33 41.433 41.433 45.101 -3.668 18504 39 1 . 1 1 34 34 VAL N N 34 124.025 124.025 119.167 4.857 18504 40 1 . 1 1 34 34 VAL HA H 34 3.617 3.617 4.077 -0.460 18504 41 1 . 1 1 34 34 VAL C C 34 178.222 178.222 174.591 3.631 18504 42 1 . 1 1 34 34 VAL CA C 34 66.122 66.122 61.899 4.223 18504 43 1 . 1 1 34 34 VAL CB C 34 37.942 37.942 33.194 4.748 18504 44 1 . 1 1 34 34 VAL H H 34 7.751 7.751 8.371 -0.620 18504 45 1 . 1 1 35 35 LEU N N 35 120.009 120.009 127.249 -7.240 18504 46 1 . 1 1 35 35 LEU HA H 35 4.276 4.276 4.535 -0.259 18504 47 1 . 1 1 35 35 LEU C C 35 175.855 175.855 176.439 -0.584 18504 48 1 . 1 1 35 35 LEU CA C 35 57.375 57.375 54.824 2.551 18504 49 1 . 1 1 35 35 LEU CB C 35 43.089 43.089 43.267 -0.178 18504 50 1 . 1 1 35 35 LEU H H 35 7.532 7.532 8.367 -0.835 18504 51 1 . 1 1 36 36 LYS N N 36 115.805 115.805 121.062 -5.257 18504 52 1 . 1 1 36 36 LYS C C 36 178.903 178.903 176.225 2.678 18504 53 1 . 1 1 36 36 LYS CA C 36 58.347 58.347 56.442 1.905 18504 54 1 . 1 1 36 36 LYS CB C 36 32.903 32.903 33.768 -0.865 18504 55 1 . 1 1 36 36 LYS H H 36 7.501 7.501 8.346 -0.845 18504 56 1 . 1 1 37 37 GLY N N 37 110.626 110.626 109.459 1.167 18504 57 1 . 1 1 37 37 GLY C C 37 174.865 174.865 173.715 1.150 18504 58 1 . 1 1 37 37 GLY CA C 37 47.466 47.466 45.119 2.347 18504 59 1 . 1 1 37 37 GLY H H 37 8.811 8.811 8.297 0.514 18504 60 1 . 1 1 38 38 GLU N N 38 116.098 116.098 120.528 -4.430 18504 61 1 . 1 1 38 38 GLU HA H 38 4.302 4.302 4.353 -0.051 18504 62 1 . 1 1 38 38 GLU C C 38 176.681 176.681 175.932 0.749 18504 63 1 . 1 1 38 38 GLU CA C 38 57.184 57.184 56.395 0.789 18504 64 1 . 1 1 38 38 GLU CB C 38 28.829 28.829 30.343 -1.514 18504 65 1 . 1 1 38 38 GLU H H 38 8.763 8.763 8.347 0.416 18504 66 1 . 1 1 39 39 LEU N N 39 119.439 119.439 122.562 -3.123 18504 67 1 . 1 1 39 39 LEU HA H 39 4.266 4.266 4.280 -0.014 18504 68 1 . 1 1 39 39 LEU C C 39 176.016 176.016 176.040 -0.024 18504 69 1 . 1 1 39 39 LEU CA C 39 54.725 54.725 55.380 -0.655 18504 70 1 . 1 1 39 39 LEU CB C 39 43.602 43.602 42.614 0.988 18504 71 1 . 1 1 39 39 LEU H H 39 7.167 7.167 8.243 -1.076 18504 72 1 . 1 1 40 40 ASP N N 40 120.105 120.105 120.585 -0.480 18504 73 1 . 1 1 40 40 ASP HA H 40 4.728 4.728 4.729 -0.001 18504 74 1 . 1 1 40 40 ASP C C 40 178.198 178.198 175.902 2.296 18504 75 1 . 1 1 40 40 ASP CA C 40 52.190 52.190 54.060 -1.870 18504 76 1 . 1 1 40 40 ASP CB C 40 40.557 40.557 41.738 -1.181 18504 77 1 . 1 1 40 40 ASP H H 40 8.596 8.596 8.309 0.287 18504 78 1 . 1 1 41 41 LEU N N 41 125.023 125.023 120.779 4.244 18504 79 1 . 1 1 41 41 LEU HA H 41 3.753 3.753 4.351 -0.598 18504 80 1 . 1 1 41 41 LEU C C 41 175.113 175.113 176.282 -1.169 18504 81 1 . 1 1 41 41 LEU CA C 41 56.667 56.667 55.496 1.171 18504 82 1 . 1 1 41 41 LEU CB C 41 39.849 39.849 42.503 -2.654 18504 83 1 . 1 1 41 41 LEU H H 41 9.029 9.029 8.113 0.916 18504 84 1 . 1 1 42 42 HIS N N 42 113.184 113.184 119.251 -6.067 18504 85 1 . 1 1 42 42 HIS HA H 42 4.524 4.524 4.569 -0.045 18504 86 1 . 1 1 42 42 HIS C C 42 175.855 175.855 174.590 1.265 18504 87 1 . 1 1 42 42 HIS CA C 42 55.916 55.916 56.049 -0.133 18504 88 1 . 1 1 42 42 HIS CB C 42 30.137 30.137 30.126 0.011 18504 89 1 . 1 1 42 42 HIS H H 42 8.065 8.065 8.365 -0.300 18504 90 1 . 1 1 43 43 SER N N 43 116.013 116.013 116.732 -0.719 18504 91 1 . 1 1 43 43 SER HA H 43 4.524 4.524 4.425 0.099 18504 92 1 . 1 1 43 43 SER C C 43 174.426 174.426 175.110 -0.684 18504 93 1 . 1 1 43 43 SER CA C 43 58.206 58.206 58.791 -0.585 18504 94 1 . 1 1 43 43 SER CB C 43 65.517 65.517 63.406 2.111 18504 95 1 . 1 1 43 43 SER H H 43 7.511 7.511 8.399 -0.888 18504 96 1 . 1 1 44 44 LYS N N 44 123.332 123.332 123.874 -0.542 18504 97 1 . 1 1 44 44 LYS C C 44 177.791 177.791 177.845 -0.054 18504 98 1 . 1 1 44 44 LYS CA C 44 59.456 59.456 58.305 1.151 18504 99 1 . 1 1 44 44 LYS CB C 44 30.172 30.172 32.426 -2.254 18504 100 1 . 1 1 44 44 LYS H H 44 8.846 8.846 8.533 0.313 18504 101 1 . 1 1 45 45 ASN N N 45 118.501 118.501 117.938 0.563 18504 102 1 . 1 1 45 45 ASN HA H 45 4.470 4.470 4.403 0.067 18504 103 1 . 1 1 45 45 ASN C C 45 177.817 177.817 177.302 0.515 18504 104 1 . 1 1 45 45 ASN CA C 45 56.928 56.928 56.610 0.318 18504 105 1 . 1 1 45 45 ASN CB C 45 38.404 38.404 38.041 0.363 18504 106 1 . 1 1 45 45 ASN H H 45 8.545 8.545 8.380 0.165 18504 107 1 . 1 1 46 46 MET N N 46 116.171 116.171 117.273 -1.102 18504 108 1 . 1 1 46 46 MET HA H 46 4.471 4.471 4.299 0.172 18504 109 1 . 1 1 46 46 MET C C 46 178.964 178.964 177.930 1.033 18504 110 1 . 1 1 46 46 MET CA C 46 55.467 55.467 59.091 -3.624 18504 111 1 . 1 1 46 46 MET CB C 46 29.707 29.707 32.216 -2.509 18504 112 1 . 1 1 46 46 MET H H 46 7.379 7.379 7.936 -0.557 18504 113 1 . 1 1 47 47 LYS N N 47 121.054 121.054 118.517 2.537 18504 114 1 . 1 1 47 47 LYS HA H 47 3.884 3.884 3.998 -0.114 18504 115 1 . 1 1 47 47 LYS C C 47 179.310 179.310 178.799 0.511 18504 116 1 . 1 1 47 47 LYS CA C 47 60.339 60.339 59.183 1.156 18504 117 1 . 1 1 47 47 LYS CB C 47 31.750 31.750 31.933 -0.183 18504 118 1 . 1 1 47 47 LYS H H 47 8.450 8.450 7.969 0.481 18504 119 1 . 1 1 48 48 ASN N N 48 117.137 117.137 118.213 -1.076 18504 120 1 . 1 1 48 48 ASN HA H 48 3.881 3.881 4.488 -0.607 18504 121 1 . 1 1 48 48 ASN C C 48 177.733 177.733 177.393 0.340 18504 122 1 . 1 1 48 48 ASN CA C 48 56.540 56.540 56.256 0.284 18504 123 1 . 1 1 48 48 ASN CB C 48 38.333 38.333 38.566 -0.233 18504 124 1 . 1 1 48 48 ASN H H 48 7.896 7.896 7.861 0.035 18504 125 1 . 1 1 49 49 VAL N N 49 121.225 121.225 120.357 0.868 18504 126 1 . 1 1 49 49 VAL HA H 49 3.679 3.679 3.577 0.102 18504 127 1 . 1 1 49 49 VAL C C 49 176.675 176.675 177.467 -0.792 18504 128 1 . 1 1 49 49 VAL CA C 49 66.434 66.434 66.279 0.155 18504 129 1 . 1 1 49 49 VAL CB C 49 32.069 32.069 31.144 0.925 18504 130 1 . 1 1 49 49 VAL H H 49 7.869 7.869 7.573 0.296 18504 131 1 . 1 1 50 50 ILE N N 50 120.523 120.523 119.575 0.948 18504 132 1 . 1 1 50 50 ILE HA H 50 4.250 4.250 3.444 0.806 18504 133 1 . 1 1 50 50 ILE C C 50 179.831 179.831 177.688 2.143 18504 134 1 . 1 1 50 50 ILE CA C 50 57.940 57.940 64.734 -6.794 18504 135 1 . 1 1 50 50 ILE CB C 50 40.112 40.112 37.502 2.610 18504 136 1 . 1 1 50 50 ILE H H 50 8.093 8.093 7.580 0.513 18504 137 1 . 1 1 51 51 ASN N N 51 117.280 117.280 118.011 -0.731 18504 138 1 . 1 1 51 51 ASN HA H 51 4.019 4.019 4.458 -0.439 18504 139 1 . 1 1 51 51 ASN C C 51 178.496 178.496 177.580 0.916 18504 140 1 . 1 1 51 51 ASN CA C 51 56.612 56.612 56.375 0.237 18504 141 1 . 1 1 51 51 ASN CB C 51 38.355 38.355 38.297 0.058 18504 142 1 . 1 1 51 51 ASN H H 51 7.953 7.953 7.768 0.185 18504 143 1 . 1 1 52 52 ASN N N 52 118.893 118.893 119.471 -0.578 18504 144 1 . 1 1 52 52 ASN HA H 52 4.415 4.415 4.476 -0.061 18504 145 1 . 1 1 52 52 ASN C C 52 176.434 176.434 177.110 -0.676 18504 146 1 . 1 1 52 52 ASN CA C 52 56.770 56.770 56.404 0.366 18504 147 1 . 1 1 52 52 ASN CB C 52 38.353 38.353 38.496 -0.143 18504 148 1 . 1 1 52 52 ASN H H 52 8.347 8.347 8.062 0.285 18504 149 1 . 1 1 53 53 ALA N N 53 122.291 122.291 122.018 0.273 18504 150 1 . 1 1 53 53 ALA HA H 53 4.514 4.514 4.021 0.494 18504 151 1 . 1 1 53 53 ALA C C 53 180.689 180.689 179.345 1.344 18504 152 1 . 1 1 53 53 ALA CA C 53 54.901 54.901 55.179 -0.278 18504 153 1 . 1 1 53 53 ALA CB C 53 17.901 17.901 18.273 -0.372 18504 154 1 . 1 1 53 53 ALA H H 53 7.706 7.706 8.719 -1.013 18504 155 1 . 1 1 54 54 LYS N N 54 119.091 119.091 118.249 0.842 18504 156 1 . 1 1 54 54 LYS HA H 54 3.837 3.837 4.107 -0.270 18504 157 1 . 1 1 54 54 LYS C C 54 178.066 178.066 178.532 -0.466 18504 158 1 . 1 1 54 54 LYS CA C 54 60.306 60.306 59.156 1.150 18504 159 1 . 1 1 54 54 LYS CB C 54 32.088 32.088 32.339 -0.251 18504 160 1 . 1 1 54 54 LYS H H 54 8.375 8.375 7.568 0.807 18504 161 1 . 1 1 55 55 LYS N N 55 119.370 119.370 119.631 -0.261 18504 162 1 . 1 1 55 55 LYS HA H 55 3.873 3.873 3.977 -0.104 18504 163 1 . 1 1 55 55 LYS C C 55 179.819 179.819 179.173 0.646 18504 164 1 . 1 1 55 55 LYS CA C 55 60.286 60.286 59.544 0.742 18504 165 1 . 1 1 55 55 LYS CB C 55 31.990 31.990 32.256 -0.266 18504 166 1 . 1 1 55 55 LYS H H 55 8.259 8.259 7.868 0.391 18504 167 1 . 1 1 56 56 ASN N N 56 119.303 119.303 118.092 1.211 18504 168 1 . 1 1 56 56 ASN HA H 56 4.409 4.409 4.301 0.108 18504 169 1 . 1 1 56 56 ASN C C 56 178.899 178.899 177.256 1.643 18504 170 1 . 1 1 56 56 ASN CA C 56 55.740 55.740 55.833 -0.093 18504 171 1 . 1 1 56 56 ASN CB C 56 37.103 37.103 38.328 -1.225 18504 172 1 . 1 1 56 56 ASN H H 56 8.235 8.235 8.160 0.075 18504 173 1 . 1 1 57 57 LEU N N 57 123.252 123.252 121.685 1.567 18504 174 1 . 1 1 57 57 LEU HA H 57 4.682 4.682 4.292 0.390 18504 175 1 . 1 1 57 57 LEU C C 57 178.541 178.541 179.172 -0.631 18504 176 1 . 1 1 57 57 LEU CA C 57 58.199 58.199 58.606 -0.407 18504 177 1 . 1 1 57 57 LEU CB C 57 42.626 42.626 41.866 0.761 18504 178 1 . 1 1 57 57 LEU H H 57 8.210 8.210 7.833 0.377 18504 179 1 . 1 1 58 58 GLU N N 58 118.795 118.795 117.281 1.514 18504 180 1 . 1 1 58 58 GLU HA H 58 4.003 4.003 3.811 0.191 18504 181 1 . 1 1 58 58 GLU C C 58 177.333 177.333 178.868 -1.535 18504 182 1 . 1 1 58 58 GLU CA C 58 61.145 61.145 59.308 1.837 18504 183 1 . 1 1 58 58 GLU CB C 58 30.312 30.312 28.978 1.334 18504 184 1 . 1 1 58 58 GLU H H 58 8.846 8.846 8.143 0.703 18504 185 1 . 1 1 59 59 LYS N N 59 118.325 118.325 119.531 -1.206 18504 186 1 . 1 1 59 59 LYS HA H 59 4.475 4.475 3.923 0.552 18504 187 1 . 1 1 59 59 LYS C C 59 178.428 178.428 178.976 -0.548 18504 188 1 . 1 1 59 59 LYS CA C 59 60.145 60.145 59.140 1.005 18504 189 1 . 1 1 59 59 LYS CB C 59 32.688 32.688 32.006 0.682 18504 190 1 . 1 1 59 59 LYS H H 59 8.373 8.373 7.559 0.814 18504 191 1 . 1 1 60 60 TYR N N 60 119.345 119.345 117.546 1.798 18504 192 1 . 1 1 60 60 TYR HA H 60 4.327 4.327 4.402 -0.075 18504 193 1 . 1 1 60 60 TYR C C 60 178.899 178.899 178.352 0.547 18504 194 1 . 1 1 60 60 TYR CA C 60 62.394 62.394 60.059 2.335 18504 195 1 . 1 1 60 60 TYR CB C 60 38.294 38.294 38.311 -0.017 18504 196 1 . 1 1 60 60 TYR H H 60 7.532 7.532 7.375 0.157 18504 197 1 . 1 1 61 61 PHE N N 61 118.931 118.931 120.004 -1.073 18504 198 1 . 1 1 61 61 PHE HA H 61 4.328 4.328 4.465 -0.137 18504 199 1 . 1 1 61 61 PHE C C 61 178.450 178.450 177.326 1.124 18504 200 1 . 1 1 61 61 PHE CA C 61 62.394 62.394 60.693 1.701 18504 201 1 . 1 1 61 61 PHE CB C 61 37.923 37.923 39.355 -1.432 18504 202 1 . 1 1 61 61 PHE H H 61 8.607 8.607 8.038 0.569 18504 203 1 . 1 1 62 62 LYS N N 62 118.337 118.337 118.931 -0.594 18504 204 1 . 1 1 62 62 LYS HA H 62 4.302 4.302 4.197 0.105 18504 205 1 . 1 1 62 62 LYS C C 62 178.333 178.333 177.787 0.546 18504 206 1 . 1 1 62 62 LYS CA C 62 59.311 59.311 58.848 0.463 18504 207 1 . 1 1 62 62 LYS CB C 62 32.849 32.849 32.582 0.267 18504 208 1 . 1 1 62 62 LYS H H 62 8.615 8.615 8.456 0.159 18504 209 1 . 1 1 63 63 GLU N N 63 116.360 116.360 117.337 -0.977 18504 210 1 . 1 1 63 63 GLU HA H 63 3.926 3.926 4.259 -0.333 18504 211 1 . 1 1 63 63 GLU C C 63 177.317 177.317 177.759 -0.442 18504 212 1 . 1 1 63 63 GLU CA C 63 58.316 58.316 58.016 0.300 18504 213 1 . 1 1 63 63 GLU CB C 63 29.356 29.356 30.764 -1.408 18504 214 1 . 1 1 63 63 GLU H H 63 7.547 7.547 7.808 -0.261 18504 215 1 . 1 1 64 64 HIS N N 64 113.580 113.580 116.730 -3.150 18504 216 1 . 1 1 64 64 HIS HA H 64 4.421 4.421 4.682 -0.261 18504 217 1 . 1 1 64 64 HIS C C 64 173.911 173.911 174.867 -0.956 18504 218 1 . 1 1 64 64 HIS CA C 64 58.082 58.082 55.306 2.776 18504 219 1 . 1 1 64 64 HIS CB C 64 31.835 31.835 30.567 1.268 18504 220 1 . 1 1 64 64 HIS H H 64 7.013 7.013 8.021 -1.008 18504 221 1 . 1 1 65 65 PHE N N 65 119.434 119.434 117.655 1.779 18504 222 1 . 1 1 65 65 PHE HA H 65 4.936 4.936 4.037 0.899 18504 223 1 . 1 1 65 65 PHE C C 65 175.232 175.232 174.488 0.744 18504 224 1 . 1 1 65 65 PHE CA C 65 57.223 57.223 59.535 -2.312 18504 225 1 . 1 1 65 65 PHE CB C 65 40.362 40.362 37.859 2.503 18504 226 1 . 1 1 65 65 PHE H H 65 8.340 8.340 8.046 0.294 18504 227 1 . 1 1 66 66 LYS N N 66 123.217 123.217 119.165 4.052 18504 228 1 . 1 1 66 66 LYS HA H 66 4.288 4.288 4.002 0.286 18504 229 1 . 1 1 66 66 LYS C C 66 177.685 177.685 174.870 2.815 18504 230 1 . 1 1 66 66 LYS CA C 66 58.798 58.798 56.032 2.766 18504 231 1 . 1 1 66 66 LYS CB C 66 32.473 32.473 34.056 -1.583 18504 232 1 . 1 1 66 66 LYS H H 66 8.590 8.590 7.749 0.841 18504 233 1 . 1 1 67 67 GLU N N 67 117.085 117.085 121.172 -4.087 18504 234 1 . 1 1 67 67 GLU HA H 67 4.361 4.361 4.373 -0.013 18504 235 1 . 1 1 67 67 GLU C C 67 175.770 175.770 175.287 0.483 18504 236 1 . 1 1 67 67 GLU CA C 67 56.364 56.364 56.214 0.150 18504 237 1 . 1 1 67 67 GLU CB C 67 29.103 29.103 30.516 -1.413 18504 238 1 . 1 1 67 67 GLU H H 67 8.969 8.969 8.375 0.594 18504 239 1 . 1 1 68 68 PHE N N 68 121.127 121.127 120.511 0.616 18504 240 1 . 1 1 68 68 PHE HA H 68 4.272 4.272 4.582 -0.310 18504 241 1 . 1 1 68 68 PHE C C 68 173.621 173.621 174.161 -0.540 18504 242 1 . 1 1 68 68 PHE CA C 68 59.096 59.096 57.579 1.517 18504 243 1 . 1 1 68 68 PHE CB C 68 40.772 40.772 40.208 0.564 18504 244 1 . 1 1 68 68 PHE H H 68 7.752 7.752 8.233 -0.481 18504 245 1 . 1 1 69 69 ASP N N 69 125.720 125.720 120.082 5.638 18504 246 1 . 1 1 69 69 ASP HA H 69 4.603 4.603 4.517 0.086 18504 247 1 . 1 1 69 69 ASP C C 69 173.387 173.387 174.697 -1.310 18504 248 1 . 1 1 69 69 ASP CA C 69 54.881 54.881 54.361 0.520 18504 249 1 . 1 1 69 69 ASP CB C 69 41.806 41.806 41.856 -0.050 18504 250 1 . 1 1 69 69 ASP H H 69 7.767 7.767 8.160 -0.393 18504 251 1 . 1 1 70 70 LYS N N 70 115.004 115.004 121.824 -6.820 18504 252 1 . 1 1 70 70 LYS HA H 70 4.449 4.449 4.635 -0.186 18504 253 1 . 1 1 70 70 LYS C C 70 175.841 175.841 175.012 0.829 18504 254 1 . 1 1 70 70 LYS CA C 70 55.486 55.486 54.706 0.780 18504 255 1 . 1 1 70 70 LYS CB C 70 34.781 34.781 35.661 -0.880 18504 256 1 . 1 1 70 70 LYS H H 70 7.305 7.305 8.090 -0.785 18504 257 1 . 1 1 71 71 ILE N N 71 122.809 122.809 119.764 3.045 18504 258 1 . 1 1 71 71 ILE HA H 71 4.709 4.709 4.356 0.353 18504 259 1 . 1 1 71 71 ILE C C 71 175.120 175.120 174.487 0.633 18504 260 1 . 1 1 71 71 ILE CA C 71 59.252 59.252 60.482 -1.230 18504 261 1 . 1 1 71 71 ILE CB C 71 39.302 39.302 40.917 -1.615 18504 262 1 . 1 1 71 71 ILE H H 71 9.522 9.522 8.341 1.181 18504 263 1 . 1 1 72 72 SER N N 72 121.741 121.741 121.151 0.590 18504 264 1 . 1 1 72 72 SER HA H 72 4.920 4.920 5.009 -0.089 18504 265 1 . 1 1 72 72 SER C C 72 172.157 172.157 172.725 -0.568 18504 266 1 . 1 1 72 72 SER CA C 72 57.730 57.730 56.923 0.807 18504 267 1 . 1 1 72 72 SER CB C 72 65.634 65.634 65.312 0.322 18504 268 1 . 1 1 72 72 SER H H 72 8.760 8.760 8.328 0.432 18504 269 1 . 1 1 73 73 TYR N N 73 118.245 118.245 119.159 -0.914 18504 270 1 . 1 1 73 73 TYR HA H 73 5.721 5.721 4.995 0.726 18504 271 1 . 1 1 73 73 TYR C C 73 173.231 173.231 173.569 -0.338 18504 272 1 . 1 1 73 73 TYR CA C 73 56.230 56.230 56.545 -0.315 18504 273 1 . 1 1 73 73 TYR CB C 73 42.383 42.383 40.925 1.458 18504 274 1 . 1 1 73 73 TYR H H 73 8.275 8.275 8.468 -0.193 18504 275 1 . 1 1 74 74 ASP N N 74 120.379 120.379 120.267 0.112 18504 276 1 . 1 1 74 74 ASP HA H 74 5.055 5.055 4.722 0.333 18504 277 1 . 1 1 74 74 ASP C C 74 174.827 174.827 173.908 0.919 18504 278 1 . 1 1 74 74 ASP CA C 74 53.601 53.601 53.354 0.247 18504 279 1 . 1 1 74 74 ASP CB C 74 45.640 45.640 44.923 0.717 18504 280 1 . 1 1 74 74 ASP H H 74 9.332 9.332 8.517 0.815 18504 281 1 . 1 1 75 75 ILE HA H 75 4.584 4.584 4.658 -0.074 18504 282 1 . 1 1 75 75 ILE C C 75 177.411 177.411 174.807 2.604 18504 283 1 . 1 1 75 75 ILE CA C 75 59.209 59.209 60.060 -0.851 18504 284 1 . 1 1 75 75 ILE CB C 75 40.768 40.768 40.673 0.095 18504 285 1 . 1 1 75 75 ILE H H 75 7.501 7.501 8.297 -0.796 18504 286 1 . 1 1 76 76 SER N N 76 117.836 117.836 120.889 -3.053 18504 287 1 . 1 1 76 76 SER HA H 76 5.450 5.450 4.829 0.621 18504 288 1 . 1 1 76 76 SER C C 76 173.767 173.767 173.494 0.273 18504 289 1 . 1 1 76 76 SER CA C 76 57.758 57.758 57.523 0.235 18504 290 1 . 1 1 76 76 SER CB C 76 64.462 64.462 64.449 0.013 18504 291 1 . 1 1 76 76 SER H H 76 9.050 9.050 8.593 0.457 18504 292 1 . 1 1 77 77 THR N N 77 117.435 117.435 117.703 -0.268 18504 293 1 . 1 1 77 77 THR HA H 77 4.959 4.959 4.228 0.731 18504 294 1 . 1 1 77 77 THR C C 77 172.636 172.636 173.835 -1.199 18504 295 1 . 1 1 77 77 THR CA C 77 58.870 58.870 63.582 -4.712 18504 296 1 . 1 1 77 77 THR CB C 77 69.935 69.935 67.694 2.241 18504 297 1 . 1 1 77 77 THR H H 77 8.601 8.601 8.404 0.197 18504 298 1 . 1 1 78 78 PRO C C 78 179.328 179.328 176.921 2.407 18504 299 1 . 1 1 78 78 PRO CA C 78 63.483 63.483 64.845 -1.362 18504 300 1 . 1 1 78 78 PRO CB C 78 32.162 32.162 31.620 0.542 18504 301 1 . 1 1 79 79 ILE N N 79 120.707 120.707 114.743 5.964 18504 302 1 . 1 1 79 79 ILE HA H 79 4.621 4.621 4.199 0.422 18504 303 1 . 1 1 79 79 ILE C C 79 177.212 177.212 175.221 1.991 18504 304 1 . 1 1 79 79 ILE CA C 79 65.921 65.921 60.672 5.249 18504 305 1 . 1 1 79 79 ILE CB C 79 37.468 37.468 37.451 0.017 18504 306 1 . 1 1 79 79 ILE H H 79 8.227 8.227 7.629 0.598 18504 307 1 . 1 1 80 80 ASN N N 80 118.168 118.168 118.265 -0.097 18504 308 1 . 1 1 80 80 ASN HA H 80 4.430 4.430 4.473 -0.043 18504 309 1 . 1 1 80 80 ASN C C 80 178.172 178.172 173.571 4.601 18504 310 1 . 1 1 80 80 ASN CA C 80 56.763 56.763 54.009 2.754 18504 311 1 . 1 1 80 80 ASN CB C 80 38.087 38.087 38.127 -0.040 18504 312 1 . 1 1 80 80 ASN H H 80 8.466 8.466 7.901 0.565 18504 313 1 . 1 1 81 81 PHE N N 81 129.059 129.059 118.288 10.771 18504 314 1 . 1 1 81 81 PHE C C 81 174.016 174.016 173.919 0.097 18504 315 1 . 1 1 81 81 PHE CA C 81 54.819 54.819 56.973 -2.154 18504 316 1 . 1 1 81 81 PHE CB C 81 39.773 39.773 42.269 -2.496 18504 317 1 . 1 1 81 81 PHE H H 81 9.152 9.152 8.055 1.097 18504 318 1 . 1 1 82 82 LEU N N 82 124.640 124.640 123.970 0.670 18504 319 1 . 1 1 82 82 LEU HA H 82 4.993 4.993 4.682 0.311 18504 320 1 . 1 1 82 82 LEU C C 82 173.695 173.695 175.187 -1.492 18504 321 1 . 1 1 82 82 LEU CA C 82 53.750 53.750 53.868 -0.118 18504 322 1 . 1 1 82 82 LEU CB C 82 44.936 44.936 43.177 1.759 18504 323 1 . 1 1 82 82 LEU H H 82 9.147 9.147 8.150 0.997 18504 324 1 . 1 1 83 83 CYS N N 83 126.066 126.066 124.804 1.262 18504 325 1 . 1 1 83 83 CYS HA H 83 5.238 5.238 4.706 0.532 18504 326 1 . 1 1 83 83 CYS C C 83 173.733 173.733 173.381 0.353 18504 327 1 . 1 1 83 83 CYS CA C 83 56.361 56.361 57.588 -1.227 18504 328 1 . 1 1 83 83 CYS CB C 83 28.374 28.374 28.775 -0.401 18504 329 1 . 1 1 83 83 CYS H H 83 9.065 9.065 8.489 0.576 18504 330 1 . 1 1 84 84 ILE N N 84 126.110 126.110 127.026 -0.916 18504 331 1 . 1 1 84 84 ILE HA H 84 4.359 4.359 4.394 -0.035 18504 332 1 . 1 1 84 84 ILE C C 84 174.745 174.745 174.143 0.602 18504 333 1 . 1 1 84 84 ILE CA C 84 60.519 60.519 60.506 0.013 18504 334 1 . 1 1 84 84 ILE CB C 84 40.358 40.358 39.344 1.014 18504 335 1 . 1 1 84 84 ILE H H 84 9.426 9.426 8.425 1.001 18504 336 1 . 1 1 85 85 PHE N N 85 126.315 126.315 127.516 -1.201 18504 337 1 . 1 1 85 85 PHE HA H 85 5.019 5.019 4.891 0.128 18504 338 1 . 1 1 85 85 PHE C C 85 175.358 175.358 174.773 0.585 18504 339 1 . 1 1 85 85 PHE CA C 85 57.731 57.731 56.634 1.097 18504 340 1 . 1 1 85 85 PHE CB C 85 38.742 38.742 40.557 -1.815 18504 341 1 . 1 1 85 85 PHE H H 85 8.337 8.337 8.520 -0.183 18504 342 1 . 1 1 86 86 ILE N N 86 126.561 126.561 126.131 0.430 18504 343 1 . 1 1 86 86 ILE HA H 86 4.903 4.903 4.733 0.170 18504 344 1 . 1 1 86 86 ILE C C 86 173.967 173.967 173.556 0.411 18504 345 1 . 1 1 86 86 ILE CA C 86 55.386 55.386 57.229 -1.843 18504 346 1 . 1 1 86 86 ILE CB C 86 38.811 38.811 40.376 -1.565 18504 347 1 . 1 1 86 86 ILE H H 86 9.161 9.161 8.617 0.544 18504 348 1 . 1 1 87 87 PRO HA H 87 5.022 5.022 4.805 0.217 18504 349 1 . 1 1 87 87 PRO C C 87 177.938 177.938 175.710 2.228 18504 350 1 . 1 1 87 87 PRO CA C 87 62.508 62.508 62.547 -0.040 18504 351 1 . 1 1 87 87 PRO CB C 87 32.534 32.534 31.771 0.763 18504 352 1 . 1 1 88 88 THR N N 88 113.282 113.282 117.670 -4.388 18504 353 1 . 1 1 88 88 THR HA H 88 4.486 4.486 4.630 -0.144 18504 354 1 . 1 1 88 88 THR C C 88 176.082 176.082 173.402 2.680 18504 355 1 . 1 1 88 88 THR CA C 88 60.306 60.306 60.565 -0.259 18504 356 1 . 1 1 88 88 THR CB C 88 66.727 66.727 71.473 -4.746 18504 357 1 . 1 1 88 88 THR H H 88 8.003 8.003 8.116 -0.113 18504 358 1 . 1 1 89 89 LEU N N 89 122.317 122.317 125.645 -3.328 18504 359 1 . 1 1 89 89 LEU HA H 89 4.009 4.009 4.565 -0.556 18504 360 1 . 1 1 89 89 LEU C C 89 175.776 175.776 176.257 -0.481 18504 361 1 . 1 1 89 89 LEU CA C 89 53.969 53.969 54.454 -0.485 18504 362 1 . 1 1 89 89 LEU CB C 89 41.996 41.996 42.591 -0.595 18504 363 1 . 1 1 89 89 LEU H H 89 7.822 7.822 8.718 -0.896 18504 364 1 . 1 1 90 90 PHE N N 90 114.801 114.801 119.718 -4.917 18504 365 1 . 1 1 90 90 PHE HA H 90 5.560 5.560 4.203 1.357 18504 366 1 . 1 1 90 90 PHE C C 90 175.869 175.869 174.486 1.383 18504 367 1 . 1 1 90 90 PHE CA C 90 55.096 55.096 58.541 -3.445 18504 368 1 . 1 1 90 90 PHE CB C 90 40.107 40.107 38.233 1.874 18504 369 1 . 1 1 90 90 PHE H H 90 7.110 7.110 7.974 -0.864 18504 370 1 . 1 1 91 91 ASP N N 91 127.244 127.244 123.879 3.365 18504 371 1 . 1 1 91 91 ASP HA H 91 4.557 4.557 4.257 0.300 18504 372 1 . 1 1 91 91 ASP C C 91 175.684 175.684 175.695 -0.011 18504 373 1 . 1 1 91 91 ASP CA C 91 52.969 52.969 54.755 -1.786 18504 374 1 . 1 1 91 91 ASP CB C 91 42.216 42.216 41.269 0.947 18504 375 1 . 1 1 91 91 ASP H H 91 9.852 9.852 8.309 1.543 18504 376 1 . 1 1 92 92 MET N N 92 113.730 113.730 119.413 -5.683 18504 377 1 . 1 1 92 92 MET HA H 92 4.278 4.278 4.306 -0.028 18504 378 1 . 1 1 92 92 MET C C 92 177.571 177.571 176.583 0.988 18504 379 1 . 1 1 92 92 MET CA C 92 58.815 58.815 56.605 2.210 18504 380 1 . 1 1 92 92 MET CB C 92 32.010 32.010 32.705 -0.695 18504 381 1 . 1 1 92 92 MET H H 92 8.574 8.574 7.965 0.609 18504 382 1 . 1 1 93 93 ASN N N 93 115.175 115.175 117.485 -2.310 18504 383 1 . 1 1 93 93 ASN HA H 93 4.749 4.749 4.568 0.181 18504 384 1 . 1 1 93 93 ASN C C 93 176.300 176.300 175.159 1.141 18504 385 1 . 1 1 93 93 ASN CA C 93 55.193 55.193 54.071 1.122 18504 386 1 . 1 1 93 93 ASN CB C 93 39.426 39.426 38.576 0.850 18504 387 1 . 1 1 93 93 ASN H H 93 8.576 8.576 8.360 0.216 18504 388 1 . 1 1 94 94 ASN N N 94 119.005 119.005 116.160 2.845 18504 389 1 . 1 1 94 94 ASN HA H 94 5.191 5.191 4.442 0.749 18504 390 1 . 1 1 94 94 ASN C C 94 177.230 177.230 174.662 2.568 18504 391 1 . 1 1 94 94 ASN CA C 94 52.631 52.631 54.456 -1.825 18504 392 1 . 1 1 94 94 ASN CB C 94 38.093 38.093 37.784 0.309 18504 393 1 . 1 1 94 94 ASN H H 94 8.049 8.049 8.265 -0.216 18504 394 1 . 1 1 95 95 MET N N 95 117.771 117.771 115.307 2.464 18504 395 1 . 1 1 95 95 MET HA H 95 4.048 4.048 4.451 -0.403 18504 396 1 . 1 1 95 95 MET C C 95 178.005 178.005 175.022 2.983 18504 397 1 . 1 1 95 95 MET CA C 95 58.275 58.275 56.145 2.130 18504 398 1 . 1 1 95 95 MET CB C 95 32.327 32.327 33.272 -0.945 18504 399 1 . 1 1 95 95 MET H H 95 7.489 7.489 8.083 -0.594 18504 400 1 . 1 1 96 96 ASP N N 96 115.629 115.629 120.107 -4.478 18504 401 1 . 1 1 96 96 ASP HA H 96 4.603 4.603 4.706 -0.103 18504 402 1 . 1 1 96 96 ASP C C 96 175.593 175.593 175.367 0.226 18504 403 1 . 1 1 96 96 ASP CA C 96 54.940 54.940 54.634 0.306 18504 404 1 . 1 1 96 96 ASP CB C 96 39.445 39.445 41.334 -1.889 18504 405 1 . 1 1 96 96 ASP H H 96 7.777 7.777 8.287 -0.510 18504 406 1 . 1 1 97 97 LEU N N 97 116.343 116.343 121.375 -5.032 18504 407 1 . 1 1 97 97 LEU HA H 97 4.617 4.617 4.521 0.096 18504 408 1 . 1 1 97 97 LEU C C 97 174.835 174.835 177.008 -2.173 18504 409 1 . 1 1 97 97 LEU CA C 97 54.433 54.433 55.469 -1.036 18504 410 1 . 1 1 97 97 LEU CB C 97 39.082 39.082 41.828 -2.746 18504 411 1 . 1 1 97 97 LEU H H 97 8.027 8.027 8.237 -0.210 18504 412 1 . 1 1 98 98 LEU N N 98 118.769 118.769 121.778 -3.009 18504 413 1 . 1 1 98 98 LEU HA H 98 3.364 3.364 4.162 -0.798 18504 414 1 . 1 1 98 98 LEU C C 98 177.586 177.586 178.241 -0.655 18504 415 1 . 1 1 98 98 LEU CA C 98 57.219 57.219 57.001 0.218 18504 416 1 . 1 1 98 98 LEU CB C 98 39.100 39.100 41.496 -2.396 18504 417 1 . 1 1 98 98 LEU H H 98 7.798 7.798 8.198 -0.400 18504 418 1 . 1 1 99 99 LYS N N 99 117.567 117.567 119.010 -1.443 18504 419 1 . 1 1 99 99 LYS HA H 99 3.416 3.416 3.909 -0.493 18504 420 1 . 1 1 99 99 LYS C C 99 177.639 177.639 178.831 -1.192 18504 421 1 . 1 1 99 99 LYS CA C 99 60.833 60.833 59.416 1.417 18504 422 1 . 1 1 99 99 LYS CB C 99 32.044 32.044 31.945 0.099 18504 423 1 . 1 1 99 99 LYS H H 99 7.603 7.603 8.342 -0.739 18504 424 1 . 1 1 100 100 GLN N N 100 114.564 114.564 118.228 -3.664 18504 425 1 . 1 1 100 100 GLN HA H 100 3.812 3.812 4.143 -0.331 18504 426 1 . 1 1 100 100 GLN C C 100 178.165 178.165 177.838 0.327 18504 427 1 . 1 1 100 100 GLN CA C 100 58.784 58.784 58.659 0.125 18504 428 1 . 1 1 100 100 GLN CB C 100 27.483 27.483 28.589 -1.106 18504 429 1 . 1 1 100 100 GLN H H 100 7.625 7.625 7.752 -0.127 18504 430 1 . 1 1 101 101 ALA N N 101 121.499 121.499 123.056 -1.558 18504 431 1 . 1 1 101 101 ALA HA H 101 3.288 3.288 4.089 -0.801 18504 432 1 . 1 1 101 101 ALA C C 101 178.865 178.865 179.705 -0.840 18504 433 1 . 1 1 101 101 ALA CA C 101 54.964 54.964 54.933 0.031 18504 434 1 . 1 1 101 101 ALA CB C 101 17.861 17.861 18.308 -0.447 18504 435 1 . 1 1 101 101 ALA H H 101 7.355 7.355 7.743 -0.388 18504 436 1 . 1 1 102 102 LEU N N 102 115.061 115.061 118.085 -3.024 18504 437 1 . 1 1 102 102 LEU HA H 102 4.766 4.766 4.076 0.690 18504 438 1 . 1 1 102 102 LEU C C 102 179.324 179.324 178.829 0.495 18504 439 1 . 1 1 102 102 LEU CA C 102 57.496 57.496 57.609 -0.113 18504 440 1 . 1 1 102 102 LEU CB C 102 41.728 41.728 42.018 -0.290 18504 441 1 . 1 1 102 102 LEU H H 102 7.941 7.941 8.265 -0.324 18504 442 1 . 1 1 103 103 LEU N N 103 115.920 115.920 119.555 -3.635 18504 443 1 . 1 1 103 103 LEU HA H 103 4.837 4.837 4.111 0.726 18504 444 1 . 1 1 103 103 LEU C C 103 178.500 178.500 179.019 -0.519 18504 445 1 . 1 1 103 103 LEU CA C 103 54.889 54.889 57.790 -2.901 18504 446 1 . 1 1 103 103 LEU CB C 103 43.766 43.766 41.854 1.912 18504 447 1 . 1 1 103 103 LEU H H 103 8.266 8.266 7.531 0.735 18504 448 1 . 1 1 105 105 LEU HA H 105 4.635 4.635 4.089 0.546 18504 449 1 . 1 1 105 105 LEU C C 105 175.743 175.743 178.578 -2.835 18504 450 1 . 1 1 105 105 LEU CA C 105 58.097 58.097 58.383 -0.286 18504 451 1 . 1 1 105 105 LEU CB C 105 38.778 38.778 40.753 -1.975 18504 452 1 . 1 1 106 106 HIS N N 106 122.167 122.167 118.856 3.311 18504 453 1 . 1 1 106 106 HIS HA H 106 4.266 4.266 4.203 0.063 18504 454 1 . 1 1 106 106 HIS CA C 106 57.114 57.114 59.977 -2.863 18504 455 1 . 1 1 106 106 HIS CB C 106 30.125 30.125 30.039 0.086 18504 456 1 . 1 1 106 106 HIS H H 106 8.252 8.252 8.024 0.228 18504 457 1 . 1 1 107 107 ASN C C 107 179.694 179.694 177.230 2.464 18504 458 1 . 1 1 107 107 ASN CA C 107 58.331 58.331 56.465 1.866 18504 459 1 . 1 1 107 107 ASN CB C 107 41.997 41.997 38.340 3.657 18504 460 1 . 1 1 108 108 ASP N N 108 122.462 122.462 119.578 2.884 18504 461 1 . 1 1 108 108 ASP C C 108 179.328 179.328 177.705 1.623 18504 462 1 . 1 1 108 108 ASP CA C 108 57.689 57.689 56.852 0.837 18504 463 1 . 1 1 108 108 ASP CB C 108 42.040 42.040 41.047 0.993 18504 464 1 . 1 1 108 108 ASP H H 108 8.174 8.174 7.835 0.339 18504 465 1 . 1 1 109 109 LEU N N 109 115.664 115.664 118.362 -2.698 18504 466 1 . 1 1 109 109 LEU HA H 109 4.852 4.852 4.248 0.604 18504 467 1 . 1 1 109 109 LEU C C 109 178.510 178.510 178.067 0.443 18504 468 1 . 1 1 109 109 LEU CA C 109 55.154 55.154 56.322 -1.168 18504 469 1 . 1 1 109 109 LEU CB C 109 44.148 44.148 42.498 1.650 18504 470 1 . 1 1 109 109 LEU H H 109 8.380 8.380 7.429 0.951 18504 471 1 . 1 1 110 110 HIS N N 110 118.905 118.905 117.487 1.418 18504 472 1 . 1 1 110 110 HIS HA H 110 3.910 3.910 4.268 -0.358 18504 473 1 . 1 1 110 110 HIS C C 110 176.152 176.152 176.643 -0.491 18504 474 1 . 1 1 110 110 HIS CA C 110 61.012 61.012 58.059 2.954 18504 475 1 . 1 1 110 110 HIS CB C 110 28.112 28.112 29.891 -1.779 18504 476 1 . 1 1 110 110 HIS H H 110 8.518 8.518 8.243 0.275 18504 477 1 . 1 1 111 111 GLU N N 111 117.923 117.923 117.802 0.121 18504 478 1 . 1 1 111 111 GLU HA H 111 3.731 3.731 4.104 -0.372 18504 479 1 . 1 1 111 111 GLU C C 111 176.596 176.596 176.654 -0.058 18504 480 1 . 1 1 111 111 GLU CA C 111 58.394 58.394 58.435 -0.041 18504 481 1 . 1 1 111 111 GLU CB C 111 29.044 29.044 30.158 -1.114 18504 482 1 . 1 1 111 111 GLU H H 111 8.018 8.018 8.173 -0.155 18504 483 1 . 1 1 112 112 TYR N N 112 114.607 114.607 115.776 -1.169 18504 484 1 . 1 1 112 112 TYR HA H 112 4.437 4.437 4.445 -0.008 18504 485 1 . 1 1 112 112 TYR C C 112 174.448 174.448 175.284 -0.836 18504 486 1 . 1 1 112 112 TYR CA C 112 57.772 57.772 59.034 -1.262 18504 487 1 . 1 1 112 112 TYR CB C 112 39.987 39.987 40.169 -0.182 18504 488 1 . 1 1 112 112 TYR H H 112 7.905 7.905 7.756 0.149 18504 489 1 . 1 1 113 113 VAL N N 113 118.003 118.003 121.032 -3.029 18504 490 1 . 1 1 113 113 VAL HA H 113 4.106 4.106 3.835 0.271 18504 491 1 . 1 1 113 113 VAL C C 113 175.134 175.134 174.905 0.229 18504 492 1 . 1 1 113 113 VAL CA C 113 62.687 62.687 63.394 -0.707 18504 493 1 . 1 1 113 113 VAL CB C 113 34.228 34.228 31.383 2.845 18504 494 1 . 1 1 113 113 VAL H H 113 6.976 6.976 8.255 -1.279 18504 stop_ save_