data_19593 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19593 _Entry.PDB_ID 2MG9 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 19593 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 THR HA H 2 4.405 4.405 4.439 -0.034 19593 2 1 1 . 1 1 2 2 THR CA C 2 61.495 61.495 62.127 -0.632 19593 3 1 1 . 1 1 2 2 THR CB C 2 70.521 70.521 71.010 -0.489 19593 4 1 1 . 1 1 2 2 THR H H 2 8.575 8.575 8.149 0.426 19593 5 1 1 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.060 0.202 19593 6 1 1 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.760 -2.210 19593 7 1 1 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.017 -1.840 19593 8 1 1 . 1 1 3 3 ASN H H 3 9.143 9.143 8.555 0.588 19593 9 1 1 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.142 -0.459 19593 10 1 1 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.509 1.923 19593 11 1 1 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.313 -1.435 19593 12 1 1 . 1 1 4 4 GLU H H 4 9.480 9.480 8.641 0.839 19593 13 1 1 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.134 -0.028 19593 14 1 1 . 1 1 5 5 CYS CA C 5 53.331 53.331 62.065 -8.733 19593 15 1 1 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.676 10.326 19593 16 1 1 . 1 1 5 5 CYS H H 5 7.960 7.960 8.110 -0.150 19593 17 1 1 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.029 0.089 19593 18 1 1 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.853 -1.150 19593 19 1 1 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.962 -0.915 19593 20 1 1 . 1 1 6 6 LEU H H 6 7.048 7.048 7.666 -0.618 19593 21 1 1 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.706 0.102 19593 22 1 1 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.194 -0.978 19593 23 1 1 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.440 -0.807 19593 24 1 1 . 1 1 7 7 ASP H H 7 7.126 7.126 7.683 -0.557 19593 25 1 1 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.197 0.158 19593 26 1 1 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.184 -0.400 19593 27 1 1 . 1 1 8 8 ASN H H 8 9.264 9.264 9.072 0.192 19593 28 1 1 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.481 0.301 19593 29 1 1 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.127 0.074 19593 30 1 1 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.756 2.362 19593 31 1 1 . 1 1 9 9 ASN H H 9 8.813 8.813 8.474 0.339 19593 32 1 1 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.575 0.058 19593 33 1 1 . 1 1 10 10 GLY H H 10 7.911 7.911 8.219 -0.308 19593 34 1 1 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.969 -0.189 19593 35 1 1 . 1 1 11 11 GLY H H 11 8.404 8.404 7.833 0.571 19593 36 1 1 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.610 0.232 19593 37 1 1 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.723 -2.454 19593 38 1 1 . 1 1 12 12 CYS CB C 12 33.663 33.663 27.849 5.814 19593 39 1 1 . 1 1 12 12 CYS H H 12 8.208 8.208 7.778 0.430 19593 40 1 1 . 1 1 13 13 SER HA H 13 4.176 4.176 4.393 -0.217 19593 41 1 1 . 1 1 13 13 SER CA C 13 60.590 60.590 60.184 0.406 19593 42 1 1 . 1 1 13 13 SER CB C 13 62.505 62.505 63.591 -1.086 19593 43 1 1 . 1 1 13 13 SER H H 13 9.300 9.300 8.707 0.593 19593 44 1 1 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.708 0.206 19593 45 1 1 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.620 -2.545 19593 46 1 1 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.643 -1.698 19593 47 1 1 . 1 1 14 14 HIS H H 14 8.991 8.991 7.519 1.472 19593 48 1 1 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.888 0.351 19593 49 1 1 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.583 -1.077 19593 50 1 1 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.515 1.952 19593 51 1 1 . 1 1 15 15 VAL H H 15 7.841 7.841 8.412 -0.571 19593 52 1 1 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.932 0.450 19593 53 1 1 . 1 1 16 16 CYS CA C 16 55.676 55.676 58.101 -2.425 19593 54 1 1 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.475 9.598 19593 55 1 1 . 1 1 16 16 CYS H H 16 9.134 9.134 8.466 0.668 19593 56 1 1 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.956 0.257 19593 57 1 1 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.568 -0.832 19593 58 1 1 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.859 -1.177 19593 59 1 1 . 1 1 17 17 ASN H H 17 9.784 9.784 9.315 0.469 19593 60 1 1 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.747 -0.072 19593 61 1 1 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.321 1.118 19593 62 1 1 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.309 -0.363 19593 63 1 1 . 1 1 18 18 ASP H H 18 8.954 8.954 8.485 0.469 19593 64 1 1 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.576 0.216 19593 65 1 1 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.188 0.482 19593 66 1 1 . 1 1 19 19 LEU H H 19 7.818 7.818 7.979 -0.161 19593 67 1 1 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.118 -0.140 19593 68 1 1 . 1 1 20 20 LYS CA C 20 60.201 60.201 57.493 2.708 19593 69 1 1 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.535 -1.008 19593 70 1 1 . 1 1 20 20 LYS H H 20 8.846 8.846 8.321 0.525 19593 71 1 1 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.179 0.099 19593 72 1 1 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.361 -0.191 19593 73 1 1 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.205 -1.048 19593 74 1 1 . 1 1 21 21 ILE H H 21 8.010 8.010 7.605 0.405 19593 75 1 1 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.068 -0.181 19593 76 1 1 . 1 1 22 22 GLY H H 22 8.695 8.695 8.502 0.193 19593 77 1 1 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.072 -0.118 19593 78 1 1 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.813 -5.032 19593 79 1 1 . 1 1 23 23 TYR H H 23 8.502 8.502 8.002 0.500 19593 80 1 1 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.608 0.098 19593 81 1 1 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.418 -0.583 19593 82 1 1 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.978 -1.255 19593 83 1 1 . 1 1 24 24 GLU H H 24 9.253 9.253 9.037 0.216 19593 84 1 1 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.063 0.704 19593 85 1 1 . 1 1 25 25 CYS CA C 25 51.053 51.053 57.934 -6.881 19593 86 1 1 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.574 10.712 19593 87 1 1 . 1 1 25 25 CYS H H 25 8.838 8.838 8.812 0.026 19593 88 1 2 . 1 1 2 2 THR HA H 2 4.405 4.405 4.429 -0.024 19593 89 1 2 . 1 1 2 2 THR CA C 2 61.495 61.495 61.541 -0.046 19593 90 1 2 . 1 1 2 2 THR CB C 2 70.521 70.521 69.007 1.514 19593 91 1 2 . 1 1 2 2 THR H H 2 8.575 8.575 8.396 0.179 19593 92 1 2 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.102 0.160 19593 93 1 2 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.438 -1.888 19593 94 1 2 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.173 -1.996 19593 95 1 2 . 1 1 3 3 ASN H H 3 9.143 9.143 8.703 0.440 19593 96 1 2 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.128 -0.445 19593 97 1 2 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.399 2.033 19593 98 1 2 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.258 -1.380 19593 99 1 2 . 1 1 4 4 GLU H H 4 9.480 9.480 8.548 0.932 19593 100 1 2 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.193 -0.087 19593 101 1 2 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.309 -7.978 19593 102 1 2 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.907 10.095 19593 103 1 2 . 1 1 5 5 CYS H H 5 7.960 7.960 8.059 -0.099 19593 104 1 2 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.068 0.050 19593 105 1 2 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.701 -0.998 19593 106 1 2 . 1 1 6 6 LEU CB C 6 41.047 41.047 42.147 -1.100 19593 107 1 2 . 1 1 6 6 LEU H H 6 7.048 7.048 7.486 -0.438 19593 108 1 2 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.663 0.145 19593 109 1 2 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.328 -1.112 19593 110 1 2 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.671 -0.038 19593 111 1 2 . 1 1 7 7 ASP H H 7 7.126 7.126 7.518 -0.392 19593 112 1 2 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.275 0.080 19593 113 1 2 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.027 -0.243 19593 114 1 2 . 1 1 8 8 ASN H H 8 9.264 9.264 8.831 0.433 19593 115 1 2 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.436 0.346 19593 116 1 2 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.053 0.148 19593 117 1 2 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.747 2.371 19593 118 1 2 . 1 1 9 9 ASN H H 9 8.813 8.813 8.322 0.491 19593 119 1 2 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.623 0.010 19593 120 1 2 . 1 1 10 10 GLY H H 10 7.911 7.911 8.335 -0.424 19593 121 1 2 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.167 -0.386 19593 122 1 2 . 1 1 11 11 GLY H H 11 8.404 8.404 7.910 0.494 19593 123 1 2 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.630 0.212 19593 124 1 2 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.352 -2.083 19593 125 1 2 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.257 5.406 19593 126 1 2 . 1 1 12 12 CYS H H 12 8.208 8.208 7.839 0.369 19593 127 1 2 . 1 1 13 13 SER HA H 13 4.176 4.176 4.309 -0.133 19593 128 1 2 . 1 1 13 13 SER CA C 13 60.590 60.590 59.845 0.745 19593 129 1 2 . 1 1 13 13 SER CB C 13 62.505 62.505 63.423 -0.918 19593 130 1 2 . 1 1 13 13 SER H H 13 9.300 9.300 8.784 0.516 19593 131 1 2 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.725 0.189 19593 132 1 2 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.750 -2.675 19593 133 1 2 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.497 -1.552 19593 134 1 2 . 1 1 14 14 HIS H H 14 8.991 8.991 7.605 1.386 19593 135 1 2 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.923 0.316 19593 136 1 2 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.408 -0.902 19593 137 1 2 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.762 1.706 19593 138 1 2 . 1 1 15 15 VAL H H 15 7.841 7.841 8.396 -0.555 19593 139 1 2 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.783 0.599 19593 140 1 2 . 1 1 16 16 CYS CA C 16 55.676 55.676 58.136 -2.460 19593 141 1 2 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.706 9.367 19593 142 1 2 . 1 1 16 16 CYS H H 16 9.134 9.134 8.873 0.261 19593 143 1 2 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.951 0.262 19593 144 1 2 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.377 -0.641 19593 145 1 2 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.621 -0.939 19593 146 1 2 . 1 1 17 17 ASN H H 17 9.784 9.784 9.335 0.449 19593 147 1 2 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.709 -0.034 19593 148 1 2 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.651 0.788 19593 149 1 2 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.837 0.109 19593 150 1 2 . 1 1 18 18 ASP H H 18 8.954 8.954 8.544 0.410 19593 151 1 2 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.445 0.347 19593 152 1 2 . 1 1 19 19 LEU CB C 19 44.670 44.670 43.148 1.522 19593 153 1 2 . 1 1 19 19 LEU H H 19 7.818 7.818 7.994 -0.176 19593 154 1 2 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.096 -0.118 19593 155 1 2 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.242 1.959 19593 156 1 2 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.315 -0.788 19593 157 1 2 . 1 1 20 20 LYS H H 20 8.846 8.846 8.411 0.435 19593 158 1 2 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.351 -0.073 19593 159 1 2 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.666 -0.496 19593 160 1 2 . 1 1 21 21 ILE CB C 21 37.157 37.157 39.236 -2.079 19593 161 1 2 . 1 1 21 21 ILE H H 21 8.010 8.010 7.481 0.529 19593 162 1 2 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.504 -0.617 19593 163 1 2 . 1 1 22 22 GLY H H 22 8.695 8.695 8.446 0.249 19593 164 1 2 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.094 -0.140 19593 165 1 2 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.830 -5.049 19593 166 1 2 . 1 1 23 23 TYR H H 23 8.502 8.502 8.138 0.364 19593 167 1 2 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.571 0.135 19593 168 1 2 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.343 -0.508 19593 169 1 2 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.972 -1.249 19593 170 1 2 . 1 1 24 24 GLU H H 24 9.253 9.253 8.941 0.312 19593 171 1 2 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.160 0.607 19593 172 1 2 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.128 -7.075 19593 173 1 2 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.647 10.639 19593 174 1 2 . 1 1 25 25 CYS H H 25 8.838 8.838 8.777 0.061 19593 175 1 3 . 1 1 2 2 THR HA H 2 4.405 4.405 4.379 0.026 19593 176 1 3 . 1 1 2 2 THR CA C 2 61.495 61.495 61.185 0.310 19593 177 1 3 . 1 1 2 2 THR CB C 2 70.521 70.521 70.130 0.391 19593 178 1 3 . 1 1 2 2 THR H H 2 8.575 8.575 8.364 0.211 19593 179 1 3 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.041 0.221 19593 180 1 3 . 1 1 3 3 ASN CA C 3 50.550 50.550 51.820 -1.270 19593 181 1 3 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.698 -1.521 19593 182 1 3 . 1 1 3 3 ASN H H 3 9.143 9.143 8.686 0.457 19593 183 1 3 . 1 1 4 4 GLU HA H 4 3.683 3.683 3.990 -0.307 19593 184 1 3 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.967 1.465 19593 185 1 3 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.044 -1.166 19593 186 1 3 . 1 1 4 4 GLU H H 4 9.480 9.480 8.342 1.138 19593 187 1 3 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.156 -0.050 19593 188 1 3 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.386 -8.056 19593 189 1 3 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.722 10.280 19593 190 1 3 . 1 1 5 5 CYS H H 5 7.960 7.960 7.817 0.143 19593 191 1 3 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.058 0.060 19593 192 1 3 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.805 -1.102 19593 193 1 3 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.936 -0.889 19593 194 1 3 . 1 1 6 6 LEU H H 6 7.048 7.048 7.752 -0.704 19593 195 1 3 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.657 0.151 19593 196 1 3 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.542 -1.326 19593 197 1 3 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.919 -0.286 19593 198 1 3 . 1 1 7 7 ASP H H 7 7.126 7.126 7.590 -0.464 19593 199 1 3 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.326 0.029 19593 200 1 3 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.136 -0.352 19593 201 1 3 . 1 1 8 8 ASN H H 8 9.264 9.264 8.902 0.362 19593 202 1 3 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.521 0.261 19593 203 1 3 . 1 1 9 9 ASN CA C 9 54.201 54.201 53.979 0.222 19593 204 1 3 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.681 2.437 19593 205 1 3 . 1 1 9 9 ASN H H 9 8.813 8.813 8.415 0.398 19593 206 1 3 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.388 0.245 19593 207 1 3 . 1 1 10 10 GLY H H 10 7.911 7.911 8.428 -0.517 19593 208 1 3 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.131 -0.350 19593 209 1 3 . 1 1 11 11 GLY H H 11 8.404 8.404 7.841 0.563 19593 210 1 3 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.717 0.125 19593 211 1 3 . 1 1 12 12 CYS CA C 12 56.269 56.269 57.687 -1.418 19593 212 1 3 . 1 1 12 12 CYS CB C 12 33.663 33.663 29.204 4.459 19593 213 1 3 . 1 1 12 12 CYS H H 12 8.208 8.208 7.771 0.437 19593 214 1 3 . 1 1 13 13 SER HA H 13 4.176 4.176 4.343 -0.167 19593 215 1 3 . 1 1 13 13 SER CA C 13 60.590 60.590 59.957 0.633 19593 216 1 3 . 1 1 13 13 SER CB C 13 62.505 62.505 63.543 -1.038 19593 217 1 3 . 1 1 13 13 SER H H 13 9.300 9.300 8.687 0.613 19593 218 1 3 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.799 0.115 19593 219 1 3 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.439 -2.364 19593 220 1 3 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.945 -2.000 19593 221 1 3 . 1 1 14 14 HIS H H 14 8.991 8.991 7.393 1.598 19593 222 1 3 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.966 0.273 19593 223 1 3 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.459 -0.953 19593 224 1 3 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.938 1.530 19593 225 1 3 . 1 1 15 15 VAL H H 15 7.841 7.841 8.261 -0.420 19593 226 1 3 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.026 0.356 19593 227 1 3 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.872 -2.196 19593 228 1 3 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.439 9.634 19593 229 1 3 . 1 1 16 16 CYS H H 16 9.134 9.134 8.734 0.400 19593 230 1 3 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.927 0.286 19593 231 1 3 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.257 -0.520 19593 232 1 3 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.624 -0.942 19593 233 1 3 . 1 1 17 17 ASN H H 17 9.784 9.784 9.312 0.472 19593 234 1 3 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.752 -0.077 19593 235 1 3 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.481 0.958 19593 236 1 3 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.065 -0.119 19593 237 1 3 . 1 1 18 18 ASP H H 18 8.954 8.954 8.577 0.377 19593 238 1 3 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.589 0.203 19593 239 1 3 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.280 0.390 19593 240 1 3 . 1 1 19 19 LEU H H 19 7.818 7.818 7.960 -0.142 19593 241 1 3 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.132 -0.154 19593 242 1 3 . 1 1 20 20 LYS CA C 20 60.201 60.201 57.805 2.396 19593 243 1 3 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.454 -0.927 19593 244 1 3 . 1 1 20 20 LYS H H 20 8.846 8.846 8.331 0.515 19593 245 1 3 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.190 0.088 19593 246 1 3 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.358 -0.188 19593 247 1 3 . 1 1 21 21 ILE CB C 21 37.157 37.157 36.315 0.842 19593 248 1 3 . 1 1 21 21 ILE H H 21 8.010 8.010 7.782 0.228 19593 249 1 3 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.307 -0.420 19593 250 1 3 . 1 1 22 22 GLY H H 22 8.695 8.695 8.525 0.169 19593 251 1 3 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.064 -0.110 19593 252 1 3 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.819 -5.038 19593 253 1 3 . 1 1 23 23 TYR H H 23 8.502 8.502 7.948 0.554 19593 254 1 3 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.668 0.038 19593 255 1 3 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.695 -0.860 19593 256 1 3 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.972 -1.249 19593 257 1 3 . 1 1 24 24 GLU H H 24 9.253 9.253 9.114 0.139 19593 258 1 3 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.569 0.198 19593 259 1 3 . 1 1 25 25 CYS CA C 25 51.053 51.053 57.999 -6.946 19593 260 1 3 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.811 10.475 19593 261 1 3 . 1 1 25 25 CYS H H 25 8.838 8.838 8.822 0.016 19593 262 1 4 . 1 1 2 2 THR HA H 2 4.405 4.405 4.215 0.190 19593 263 1 4 . 1 1 2 2 THR CA C 2 61.495 61.495 62.244 -0.749 19593 264 1 4 . 1 1 2 2 THR CB C 2 70.521 70.521 69.582 0.939 19593 265 1 4 . 1 1 2 2 THR H H 2 8.575 8.575 8.019 0.556 19593 266 1 4 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.013 0.249 19593 267 1 4 . 1 1 3 3 ASN CA C 3 50.550 50.550 51.844 -1.294 19593 268 1 4 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.934 -1.757 19593 269 1 4 . 1 1 3 3 ASN H H 3 9.143 9.143 8.505 0.638 19593 270 1 4 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.070 -0.387 19593 271 1 4 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.889 1.542 19593 272 1 4 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.161 -1.283 19593 273 1 4 . 1 1 4 4 GLU H H 4 9.480 9.480 8.746 0.734 19593 274 1 4 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.232 -0.126 19593 275 1 4 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.521 -8.190 19593 276 1 4 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.766 10.236 19593 277 1 4 . 1 1 5 5 CYS H H 5 7.960 7.960 7.930 0.030 19593 278 1 4 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.091 0.027 19593 279 1 4 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.788 -1.085 19593 280 1 4 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.914 -0.868 19593 281 1 4 . 1 1 6 6 LEU H H 6 7.048 7.048 7.708 -0.660 19593 282 1 4 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.696 0.112 19593 283 1 4 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.266 -1.050 19593 284 1 4 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.119 -0.486 19593 285 1 4 . 1 1 7 7 ASP H H 7 7.126 7.126 7.536 -0.410 19593 286 1 4 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.215 0.140 19593 287 1 4 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.071 -0.287 19593 288 1 4 . 1 1 8 8 ASN H H 8 9.264 9.264 9.105 0.159 19593 289 1 4 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.441 0.341 19593 290 1 4 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.116 0.085 19593 291 1 4 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.686 2.432 19593 292 1 4 . 1 1 9 9 ASN H H 9 8.813 8.813 8.462 0.351 19593 293 1 4 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.540 0.093 19593 294 1 4 . 1 1 10 10 GLY H H 10 7.911 7.911 8.103 -0.192 19593 295 1 4 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.177 -0.396 19593 296 1 4 . 1 1 11 11 GLY H H 11 8.404 8.404 7.784 0.620 19593 297 1 4 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.666 0.176 19593 298 1 4 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.449 -2.180 19593 299 1 4 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.220 5.444 19593 300 1 4 . 1 1 12 12 CYS H H 12 8.208 8.208 7.811 0.397 19593 301 1 4 . 1 1 13 13 SER HA H 13 4.176 4.176 4.383 -0.207 19593 302 1 4 . 1 1 13 13 SER CA C 13 60.590 60.590 59.971 0.619 19593 303 1 4 . 1 1 13 13 SER CB C 13 62.505 62.505 63.578 -1.073 19593 304 1 4 . 1 1 13 13 SER H H 13 9.300 9.300 8.699 0.601 19593 305 1 4 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.656 0.258 19593 306 1 4 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.099 -3.024 19593 307 1 4 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.087 -1.142 19593 308 1 4 . 1 1 14 14 HIS H H 14 8.991 8.991 7.774 1.217 19593 309 1 4 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.935 0.304 19593 310 1 4 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.273 -0.767 19593 311 1 4 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.593 1.875 19593 312 1 4 . 1 1 15 15 VAL H H 15 7.841 7.841 8.375 -0.534 19593 313 1 4 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.831 0.551 19593 314 1 4 . 1 1 16 16 CYS CA C 16 55.676 55.676 58.255 -2.579 19593 315 1 4 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.562 9.511 19593 316 1 4 . 1 1 16 16 CYS H H 16 9.134 9.134 8.535 0.599 19593 317 1 4 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.950 0.263 19593 318 1 4 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.426 -0.690 19593 319 1 4 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.948 -1.266 19593 320 1 4 . 1 1 17 17 ASN H H 17 9.784 9.784 9.268 0.516 19593 321 1 4 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.727 -0.052 19593 322 1 4 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.645 0.794 19593 323 1 4 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.364 -0.418 19593 324 1 4 . 1 1 18 18 ASP H H 18 8.954 8.954 8.522 0.432 19593 325 1 4 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.611 0.181 19593 326 1 4 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.399 0.271 19593 327 1 4 . 1 1 19 19 LEU H H 19 7.818 7.818 7.707 0.111 19593 328 1 4 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.091 -0.113 19593 329 1 4 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.384 1.817 19593 330 1 4 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.548 -1.021 19593 331 1 4 . 1 1 20 20 LYS H H 20 8.846 8.846 8.366 0.480 19593 332 1 4 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.211 0.067 19593 333 1 4 . 1 1 21 21 ILE CA C 21 60.170 60.170 59.976 0.194 19593 334 1 4 . 1 1 21 21 ILE CB C 21 37.157 37.157 37.429 -0.272 19593 335 1 4 . 1 1 21 21 ILE H H 21 8.010 8.010 7.696 0.314 19593 336 1 4 . 1 1 22 22 GLY CA C 22 44.887 44.887 44.826 0.061 19593 337 1 4 . 1 1 22 22 GLY H H 22 8.695 8.695 7.893 0.802 19593 338 1 4 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.246 -0.292 19593 339 1 4 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.639 -4.858 19593 340 1 4 . 1 1 23 23 TYR H H 23 8.502 8.502 7.980 0.522 19593 341 1 4 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.657 0.049 19593 342 1 4 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.966 -1.131 19593 343 1 4 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.704 -0.981 19593 344 1 4 . 1 1 24 24 GLU H H 24 9.253 9.253 8.906 0.347 19593 345 1 4 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.295 0.472 19593 346 1 4 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.247 -7.194 19593 347 1 4 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.640 10.646 19593 348 1 4 . 1 1 25 25 CYS H H 25 8.838 8.838 8.847 -0.009 19593 349 1 5 . 1 1 2 2 THR HA H 2 4.405 4.405 4.378 0.027 19593 350 1 5 . 1 1 2 2 THR CA C 2 61.495 61.495 62.053 -0.558 19593 351 1 5 . 1 1 2 2 THR CB C 2 70.521 70.521 69.450 1.071 19593 352 1 5 . 1 1 2 2 THR H H 2 8.575 8.575 8.405 0.170 19593 353 1 5 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.080 0.182 19593 354 1 5 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.058 -1.508 19593 355 1 5 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.021 -1.844 19593 356 1 5 . 1 1 3 3 ASN H H 3 9.143 9.143 8.790 0.353 19593 357 1 5 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.086 -0.403 19593 358 1 5 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.785 1.647 19593 359 1 5 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.156 -1.278 19593 360 1 5 . 1 1 4 4 GLU H H 4 9.480 9.480 8.636 0.844 19593 361 1 5 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.191 -0.085 19593 362 1 5 . 1 1 5 5 CYS CA C 5 53.331 53.331 60.974 -7.643 19593 363 1 5 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.516 10.486 19593 364 1 5 . 1 1 5 5 CYS H H 5 7.960 7.960 7.854 0.106 19593 365 1 5 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.041 0.077 19593 366 1 5 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.912 -1.209 19593 367 1 5 . 1 1 6 6 LEU CB C 6 41.047 41.047 42.001 -0.954 19593 368 1 5 . 1 1 6 6 LEU H H 6 7.048 7.048 7.550 -0.502 19593 369 1 5 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.705 0.103 19593 370 1 5 . 1 1 7 7 ASP CA C 7 52.216 52.216 52.965 -0.749 19593 371 1 5 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.847 -1.214 19593 372 1 5 . 1 1 7 7 ASP H H 7 7.126 7.126 7.517 -0.391 19593 373 1 5 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.211 0.144 19593 374 1 5 . 1 1 8 8 ASN CA C 8 53.784 53.784 53.819 -0.035 19593 375 1 5 . 1 1 8 8 ASN H H 8 9.264 9.264 9.109 0.155 19593 376 1 5 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.555 0.227 19593 377 1 5 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.028 0.173 19593 378 1 5 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.594 2.524 19593 379 1 5 . 1 1 9 9 ASN H H 9 8.813 8.813 8.438 0.375 19593 380 1 5 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.524 0.109 19593 381 1 5 . 1 1 10 10 GLY H H 10 7.911 7.911 8.281 -0.370 19593 382 1 5 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.954 -0.173 19593 383 1 5 . 1 1 11 11 GLY H H 11 8.404 8.404 7.886 0.518 19593 384 1 5 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.746 0.096 19593 385 1 5 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.039 -1.770 19593 386 1 5 . 1 1 12 12 CYS CB C 12 33.663 33.663 29.093 4.570 19593 387 1 5 . 1 1 12 12 CYS H H 12 8.208 8.208 7.811 0.397 19593 388 1 5 . 1 1 13 13 SER HA H 13 4.176 4.176 4.394 -0.218 19593 389 1 5 . 1 1 13 13 SER CA C 13 60.590 60.590 59.593 0.997 19593 390 1 5 . 1 1 13 13 SER CB C 13 62.505 62.505 63.671 -1.166 19593 391 1 5 . 1 1 13 13 SER H H 13 9.300 9.300 8.488 0.812 19593 392 1 5 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.680 0.234 19593 393 1 5 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.496 -3.421 19593 394 1 5 . 1 1 14 14 HIS CB C 14 29.945 29.945 30.879 -0.934 19593 395 1 5 . 1 1 14 14 HIS H H 14 8.991 8.991 7.678 1.313 19593 396 1 5 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.999 0.240 19593 397 1 5 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.490 -0.985 19593 398 1 5 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.614 1.854 19593 399 1 5 . 1 1 15 15 VAL H H 15 7.841 7.841 8.556 -0.715 19593 400 1 5 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.332 0.050 19593 401 1 5 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.334 -1.659 19593 402 1 5 . 1 1 16 16 CYS CB C 16 38.073 38.073 29.891 8.182 19593 403 1 5 . 1 1 16 16 CYS H H 16 9.134 9.134 8.836 0.298 19593 404 1 5 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.991 0.222 19593 405 1 5 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.770 -1.034 19593 406 1 5 . 1 1 17 17 ASN CB C 17 40.682 40.682 42.770 -2.087 19593 407 1 5 . 1 1 17 17 ASN H H 17 9.784 9.784 9.327 0.457 19593 408 1 5 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.671 0.004 19593 409 1 5 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.661 0.777 19593 410 1 5 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.459 -0.513 19593 411 1 5 . 1 1 18 18 ASP H H 18 8.954 8.954 8.659 0.295 19593 412 1 5 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.529 0.263 19593 413 1 5 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.603 0.067 19593 414 1 5 . 1 1 19 19 LEU H H 19 7.818 7.818 7.778 0.040 19593 415 1 5 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.126 -0.148 19593 416 1 5 . 1 1 20 20 LYS CA C 20 60.201 60.201 57.803 2.397 19593 417 1 5 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.427 -0.900 19593 418 1 5 . 1 1 20 20 LYS H H 20 8.846 8.846 8.336 0.510 19593 419 1 5 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.209 0.069 19593 420 1 5 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.250 -0.080 19593 421 1 5 . 1 1 21 21 ILE CB C 21 37.157 37.157 37.069 0.088 19593 422 1 5 . 1 1 21 21 ILE H H 21 8.010 8.010 7.685 0.325 19593 423 1 5 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.474 -0.587 19593 424 1 5 . 1 1 22 22 GLY H H 22 8.695 8.695 8.611 0.084 19593 425 1 5 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.116 -0.162 19593 426 1 5 . 1 1 23 23 TYR CB C 23 35.781 35.781 41.295 -5.514 19593 427 1 5 . 1 1 23 23 TYR H H 23 8.502 8.502 7.777 0.725 19593 428 1 5 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.684 0.022 19593 429 1 5 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.239 -0.404 19593 430 1 5 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.733 -1.010 19593 431 1 5 . 1 1 24 24 GLU H H 24 9.253 9.253 9.216 0.037 19593 432 1 5 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.457 0.310 19593 433 1 5 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.069 -7.016 19593 434 1 5 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.586 10.700 19593 435 1 5 . 1 1 25 25 CYS H H 25 8.838 8.838 8.847 -0.009 19593 436 1 6 . 1 1 2 2 THR HA H 2 4.405 4.405 4.314 0.091 19593 437 1 6 . 1 1 2 2 THR CA C 2 61.495 61.495 62.328 -0.833 19593 438 1 6 . 1 1 2 2 THR CB C 2 70.521 70.521 69.034 1.486 19593 439 1 6 . 1 1 2 2 THR H H 2 8.575 8.575 8.117 0.458 19593 440 1 6 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.230 0.032 19593 441 1 6 . 1 1 3 3 ASN CA C 3 50.550 50.550 51.967 -1.417 19593 442 1 6 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.280 -2.103 19593 443 1 6 . 1 1 3 3 ASN H H 3 9.143 9.143 8.110 1.033 19593 444 1 6 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.138 -0.455 19593 445 1 6 . 1 1 4 4 GLU CA C 4 60.432 60.432 59.054 1.378 19593 446 1 6 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.493 -1.615 19593 447 1 6 . 1 1 4 4 GLU H H 4 9.480 9.480 8.610 0.870 19593 448 1 6 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.260 -0.154 19593 449 1 6 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.566 -8.235 19593 450 1 6 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.794 10.208 19593 451 1 6 . 1 1 5 5 CYS H H 5 7.960 7.960 7.898 0.062 19593 452 1 6 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.091 0.027 19593 453 1 6 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.387 -0.684 19593 454 1 6 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.991 -0.944 19593 455 1 6 . 1 1 6 6 LEU H H 6 7.048 7.048 7.939 -0.891 19593 456 1 6 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.598 0.210 19593 457 1 6 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.861 -1.645 19593 458 1 6 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.968 -0.335 19593 459 1 6 . 1 1 7 7 ASP H H 7 7.126 7.126 7.437 -0.311 19593 460 1 6 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.279 0.076 19593 461 1 6 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.209 -0.424 19593 462 1 6 . 1 1 8 8 ASN H H 8 9.264 9.264 8.945 0.319 19593 463 1 6 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.510 0.272 19593 464 1 6 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.032 0.169 19593 465 1 6 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.619 2.499 19593 466 1 6 . 1 1 9 9 ASN H H 9 8.813 8.813 8.405 0.408 19593 467 1 6 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.138 0.495 19593 468 1 6 . 1 1 10 10 GLY H H 10 7.911 7.911 8.217 -0.306 19593 469 1 6 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.990 -0.209 19593 470 1 6 . 1 1 11 11 GLY H H 11 8.404 8.404 7.791 0.613 19593 471 1 6 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.724 0.118 19593 472 1 6 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.546 -2.277 19593 473 1 6 . 1 1 12 12 CYS CB C 12 33.663 33.663 29.153 4.510 19593 474 1 6 . 1 1 12 12 CYS H H 12 8.208 8.208 7.611 0.597 19593 475 1 6 . 1 1 13 13 SER HA H 13 4.176 4.176 4.290 -0.114 19593 476 1 6 . 1 1 13 13 SER CA C 13 60.590 60.590 59.123 1.468 19593 477 1 6 . 1 1 13 13 SER CB C 13 62.505 62.505 63.373 -0.868 19593 478 1 6 . 1 1 13 13 SER H H 13 9.300 9.300 8.592 0.708 19593 479 1 6 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.730 0.184 19593 480 1 6 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.764 -2.689 19593 481 1 6 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.325 -1.380 19593 482 1 6 . 1 1 14 14 HIS H H 14 8.991 8.991 7.436 1.555 19593 483 1 6 . 1 1 15 15 VAL HA H 15 4.239 4.239 4.009 0.230 19593 484 1 6 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.267 -0.761 19593 485 1 6 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.341 2.127 19593 486 1 6 . 1 1 15 15 VAL H H 15 7.841 7.841 8.261 -0.420 19593 487 1 6 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.112 0.270 19593 488 1 6 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.719 -2.043 19593 489 1 6 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.490 9.583 19593 490 1 6 . 1 1 16 16 CYS H H 16 9.134 9.134 8.739 0.395 19593 491 1 6 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.891 0.322 19593 492 1 6 . 1 1 17 17 ASN CA C 17 51.736 51.736 51.960 -0.224 19593 493 1 6 . 1 1 17 17 ASN CB C 17 40.682 40.682 40.751 -0.069 19593 494 1 6 . 1 1 17 17 ASN H H 17 9.784 9.784 9.421 0.363 19593 495 1 6 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.637 0.038 19593 496 1 6 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.678 0.761 19593 497 1 6 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.903 0.043 19593 498 1 6 . 1 1 18 18 ASP H H 18 8.954 8.954 8.444 0.510 19593 499 1 6 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.440 0.352 19593 500 1 6 . 1 1 19 19 LEU CB C 19 44.670 44.670 42.925 1.745 19593 501 1 6 . 1 1 19 19 LEU H H 19 7.818 7.818 8.038 -0.220 19593 502 1 6 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.040 -0.062 19593 503 1 6 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.703 1.498 19593 504 1 6 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.780 -1.253 19593 505 1 6 . 1 1 20 20 LYS H H 20 8.846 8.846 8.300 0.546 19593 506 1 6 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.130 0.148 19593 507 1 6 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.420 -0.250 19593 508 1 6 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.510 -1.353 19593 509 1 6 . 1 1 21 21 ILE H H 21 8.010 8.010 7.612 0.398 19593 510 1 6 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.058 -0.171 19593 511 1 6 . 1 1 22 22 GLY H H 22 8.695 8.695 8.982 -0.287 19593 512 1 6 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.121 -0.167 19593 513 1 6 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.742 -4.961 19593 514 1 6 . 1 1 23 23 TYR H H 23 8.502 8.502 7.716 0.786 19593 515 1 6 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.699 0.007 19593 516 1 6 . 1 1 24 24 GLU CA C 24 53.835 53.835 53.974 -0.139 19593 517 1 6 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.397 -0.674 19593 518 1 6 . 1 1 24 24 GLU H H 24 9.253 9.253 8.927 0.326 19593 519 1 6 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.749 0.018 19593 520 1 6 . 1 1 25 25 CYS CA C 25 51.053 51.053 57.380 -6.327 19593 521 1 6 . 1 1 25 25 CYS CB C 25 38.286 38.286 29.141 9.145 19593 522 1 6 . 1 1 25 25 CYS H H 25 8.838 8.838 8.812 0.026 19593 523 1 7 . 1 1 2 2 THR HA H 2 4.405 4.405 4.327 0.078 19593 524 1 7 . 1 1 2 2 THR CA C 2 61.495 61.495 61.672 -0.177 19593 525 1 7 . 1 1 2 2 THR CB C 2 70.521 70.521 69.018 1.503 19593 526 1 7 . 1 1 2 2 THR H H 2 8.575 8.575 8.381 0.194 19593 527 1 7 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.169 0.093 19593 528 1 7 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.272 -1.722 19593 529 1 7 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.273 -2.096 19593 530 1 7 . 1 1 3 3 ASN H H 3 9.143 9.143 8.598 0.545 19593 531 1 7 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.146 -0.463 19593 532 1 7 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.675 1.758 19593 533 1 7 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.446 -1.568 19593 534 1 7 . 1 1 4 4 GLU H H 4 9.480 9.480 8.477 1.003 19593 535 1 7 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.188 -0.082 19593 536 1 7 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.322 -7.991 19593 537 1 7 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.635 10.367 19593 538 1 7 . 1 1 5 5 CYS H H 5 7.960 7.960 7.880 0.080 19593 539 1 7 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.016 0.102 19593 540 1 7 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.845 -1.142 19593 541 1 7 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.990 -0.944 19593 542 1 7 . 1 1 6 6 LEU H H 6 7.048 7.048 7.768 -0.720 19593 543 1 7 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.715 0.093 19593 544 1 7 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.156 -0.940 19593 545 1 7 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.861 -1.228 19593 546 1 7 . 1 1 7 7 ASP H H 7 7.126 7.126 7.536 -0.410 19593 547 1 7 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.205 0.150 19593 548 1 7 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.240 -0.456 19593 549 1 7 . 1 1 8 8 ASN H H 8 9.264 9.264 9.185 0.079 19593 550 1 7 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.438 0.344 19593 551 1 7 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.105 0.097 19593 552 1 7 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.654 2.464 19593 553 1 7 . 1 1 9 9 ASN H H 9 8.813 8.813 8.532 0.281 19593 554 1 7 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.246 0.387 19593 555 1 7 . 1 1 10 10 GLY H H 10 7.911 7.911 8.154 -0.243 19593 556 1 7 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.930 -0.149 19593 557 1 7 . 1 1 11 11 GLY H H 11 8.404 8.404 7.863 0.541 19593 558 1 7 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.545 0.297 19593 559 1 7 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.986 -2.717 19593 560 1 7 . 1 1 12 12 CYS CB C 12 33.663 33.663 27.613 6.050 19593 561 1 7 . 1 1 12 12 CYS H H 12 8.208 8.208 7.773 0.435 19593 562 1 7 . 1 1 13 13 SER HA H 13 4.176 4.176 4.382 -0.206 19593 563 1 7 . 1 1 13 13 SER CA C 13 60.590 60.590 59.356 1.234 19593 564 1 7 . 1 1 13 13 SER CB C 13 62.505 62.505 63.509 -1.004 19593 565 1 7 . 1 1 13 13 SER H H 13 9.300 9.300 8.565 0.735 19593 566 1 7 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.659 0.255 19593 567 1 7 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.255 -3.180 19593 568 1 7 . 1 1 14 14 HIS CB C 14 29.945 29.945 30.870 -0.925 19593 569 1 7 . 1 1 14 14 HIS H H 14 8.991 8.991 7.634 1.357 19593 570 1 7 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.988 0.251 19593 571 1 7 . 1 1 15 15 VAL CA C 15 62.506 62.506 62.986 -0.479 19593 572 1 7 . 1 1 15 15 VAL CB C 15 33.468 33.468 32.226 1.242 19593 573 1 7 . 1 1 15 15 VAL H H 15 7.841 7.841 8.228 -0.387 19593 574 1 7 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.881 0.501 19593 575 1 7 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.770 -2.095 19593 576 1 7 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.968 9.105 19593 577 1 7 . 1 1 16 16 CYS H H 16 9.134 9.134 8.843 0.291 19593 578 1 7 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.924 0.289 19593 579 1 7 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.315 -0.579 19593 580 1 7 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.466 -0.784 19593 581 1 7 . 1 1 17 17 ASN H H 17 9.784 9.784 9.296 0.488 19593 582 1 7 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.743 -0.068 19593 583 1 7 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.115 1.324 19593 584 1 7 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.753 0.193 19593 585 1 7 . 1 1 18 18 ASP H H 18 8.954 8.954 8.526 0.428 19593 586 1 7 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.437 0.355 19593 587 1 7 . 1 1 19 19 LEU CB C 19 44.670 44.670 42.873 1.797 19593 588 1 7 . 1 1 19 19 LEU H H 19 7.818 7.818 8.062 -0.244 19593 589 1 7 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.069 -0.091 19593 590 1 7 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.535 1.666 19593 591 1 7 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.678 -1.151 19593 592 1 7 . 1 1 20 20 LYS H H 20 8.846 8.846 8.380 0.466 19593 593 1 7 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.341 -0.063 19593 594 1 7 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.099 0.071 19593 595 1 7 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.791 -1.634 19593 596 1 7 . 1 1 21 21 ILE H H 21 8.010 8.010 7.514 0.496 19593 597 1 7 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.398 -0.511 19593 598 1 7 . 1 1 22 22 GLY H H 22 8.695 8.695 8.212 0.483 19593 599 1 7 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.096 -0.142 19593 600 1 7 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.621 -4.840 19593 601 1 7 . 1 1 23 23 TYR H H 23 8.502 8.502 7.964 0.538 19593 602 1 7 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.638 0.068 19593 603 1 7 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.417 -0.582 19593 604 1 7 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.695 -0.972 19593 605 1 7 . 1 1 24 24 GLU H H 24 9.253 9.253 8.874 0.379 19593 606 1 7 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.321 0.446 19593 607 1 7 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.274 -7.221 19593 608 1 7 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.002 11.284 19593 609 1 7 . 1 1 25 25 CYS H H 25 8.838 8.838 8.892 -0.054 19593 610 1 8 . 1 1 2 2 THR HA H 2 4.405 4.405 4.152 0.253 19593 611 1 8 . 1 1 2 2 THR CA C 2 61.495 61.495 62.453 -0.958 19593 612 1 8 . 1 1 2 2 THR CB C 2 70.521 70.521 69.424 1.097 19593 613 1 8 . 1 1 2 2 THR H H 2 8.575 8.575 8.210 0.365 19593 614 1 8 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.133 0.129 19593 615 1 8 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.200 -1.650 19593 616 1 8 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.506 -2.329 19593 617 1 8 . 1 1 3 3 ASN H H 3 9.143 9.143 8.543 0.600 19593 618 1 8 . 1 1 4 4 GLU HA H 4 3.683 3.683 3.862 -0.179 19593 619 1 8 . 1 1 4 4 GLU CA C 4 60.432 60.432 59.216 1.216 19593 620 1 8 . 1 1 4 4 GLU CB C 4 27.878 27.878 28.840 -0.962 19593 621 1 8 . 1 1 4 4 GLU H H 4 9.480 9.480 8.641 0.839 19593 622 1 8 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.176 -0.070 19593 623 1 8 . 1 1 5 5 CYS CA C 5 53.331 53.331 60.929 -7.598 19593 624 1 8 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.815 10.187 19593 625 1 8 . 1 1 5 5 CYS H H 5 7.960 7.960 8.244 -0.284 19593 626 1 8 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.097 0.021 19593 627 1 8 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.723 -1.020 19593 628 1 8 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.911 -0.864 19593 629 1 8 . 1 1 6 6 LEU H H 6 7.048 7.048 7.715 -0.667 19593 630 1 8 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.679 0.129 19593 631 1 8 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.075 -0.860 19593 632 1 8 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.486 0.147 19593 633 1 8 . 1 1 7 7 ASP H H 7 7.126 7.126 7.588 -0.462 19593 634 1 8 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.271 0.084 19593 635 1 8 . 1 1 8 8 ASN CA C 8 53.784 53.784 53.940 -0.156 19593 636 1 8 . 1 1 8 8 ASN H H 8 9.264 9.264 8.891 0.373 19593 637 1 8 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.433 0.349 19593 638 1 8 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.255 -0.054 19593 639 1 8 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.732 2.386 19593 640 1 8 . 1 1 9 9 ASN H H 9 8.813 8.813 8.381 0.432 19593 641 1 8 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.396 0.237 19593 642 1 8 . 1 1 10 10 GLY H H 10 7.911 7.911 8.426 -0.515 19593 643 1 8 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.223 -0.442 19593 644 1 8 . 1 1 11 11 GLY H H 11 8.404 8.404 7.758 0.646 19593 645 1 8 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.665 0.177 19593 646 1 8 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.340 -2.071 19593 647 1 8 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.269 5.394 19593 648 1 8 . 1 1 12 12 CYS H H 12 8.208 8.208 7.763 0.445 19593 649 1 8 . 1 1 13 13 SER HA H 13 4.176 4.176 4.429 -0.253 19593 650 1 8 . 1 1 13 13 SER CA C 13 60.590 60.590 59.991 0.599 19593 651 1 8 . 1 1 13 13 SER CB C 13 62.505 62.505 63.541 -1.036 19593 652 1 8 . 1 1 13 13 SER H H 13 9.300 9.300 8.655 0.645 19593 653 1 8 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.757 0.157 19593 654 1 8 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.068 -2.993 19593 655 1 8 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.651 -1.706 19593 656 1 8 . 1 1 14 14 HIS H H 14 8.991 8.991 7.630 1.361 19593 657 1 8 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.843 0.396 19593 658 1 8 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.893 -1.387 19593 659 1 8 . 1 1 15 15 VAL CB C 15 33.468 33.468 32.147 1.321 19593 660 1 8 . 1 1 15 15 VAL H H 15 7.841 7.841 8.624 -0.783 19593 661 1 8 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.108 0.274 19593 662 1 8 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.835 -2.159 19593 663 1 8 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.375 9.698 19593 664 1 8 . 1 1 16 16 CYS H H 16 9.134 9.134 8.471 0.663 19593 665 1 8 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.966 0.247 19593 666 1 8 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.473 -0.737 19593 667 1 8 . 1 1 17 17 ASN CB C 17 40.682 40.682 42.417 -1.735 19593 668 1 8 . 1 1 17 17 ASN H H 17 9.784 9.784 9.287 0.497 19593 669 1 8 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.753 -0.078 19593 670 1 8 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.217 1.222 19593 671 1 8 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.445 -0.499 19593 672 1 8 . 1 1 18 18 ASP H H 18 8.954 8.954 8.492 0.462 19593 673 1 8 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.725 0.067 19593 674 1 8 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.503 0.167 19593 675 1 8 . 1 1 19 19 LEU H H 19 7.818 7.818 7.858 -0.040 19593 676 1 8 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.201 -0.223 19593 677 1 8 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.191 2.010 19593 678 1 8 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.840 -1.313 19593 679 1 8 . 1 1 20 20 LYS H H 20 8.846 8.846 8.632 0.214 19593 680 1 8 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.475 -0.197 19593 681 1 8 . 1 1 21 21 ILE CA C 21 60.170 60.170 59.623 0.547 19593 682 1 8 . 1 1 21 21 ILE CB C 21 37.157 37.157 36.516 0.641 19593 683 1 8 . 1 1 21 21 ILE H H 21 8.010 8.010 7.588 0.422 19593 684 1 8 . 1 1 22 22 GLY CA C 22 44.887 44.887 44.913 -0.026 19593 685 1 8 . 1 1 22 22 GLY H H 22 8.695 8.695 7.527 1.168 19593 686 1 8 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.307 -0.353 19593 687 1 8 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.725 -4.944 19593 688 1 8 . 1 1 23 23 TYR H H 23 8.502 8.502 8.126 0.376 19593 689 1 8 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.555 0.151 19593 690 1 8 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.166 -0.331 19593 691 1 8 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.692 -0.969 19593 692 1 8 . 1 1 24 24 GLU H H 24 9.253 9.253 8.890 0.363 19593 693 1 8 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.122 0.645 19593 694 1 8 . 1 1 25 25 CYS CA C 25 51.053 51.053 57.653 -6.600 19593 695 1 8 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.179 11.107 19593 696 1 8 . 1 1 25 25 CYS H H 25 8.838 8.838 8.800 0.038 19593 697 1 9 . 1 1 2 2 THR HA H 2 4.405 4.405 4.300 0.105 19593 698 1 9 . 1 1 2 2 THR CA C 2 61.495 61.495 61.718 -0.223 19593 699 1 9 . 1 1 2 2 THR CB C 2 70.521 70.521 69.045 1.476 19593 700 1 9 . 1 1 2 2 THR H H 2 8.575 8.575 8.437 0.138 19593 701 1 9 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.219 0.043 19593 702 1 9 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.262 -1.712 19593 703 1 9 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.126 -1.949 19593 704 1 9 . 1 1 3 3 ASN H H 3 9.143 9.143 8.696 0.447 19593 705 1 9 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.097 -0.414 19593 706 1 9 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.603 1.829 19593 707 1 9 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.250 -1.372 19593 708 1 9 . 1 1 4 4 GLU H H 4 9.480 9.480 8.453 1.027 19593 709 1 9 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.167 -0.061 19593 710 1 9 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.470 -8.139 19593 711 1 9 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.733 10.269 19593 712 1 9 . 1 1 5 5 CYS H H 5 7.960 7.960 7.941 0.019 19593 713 1 9 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.085 0.033 19593 714 1 9 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.468 -0.765 19593 715 1 9 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.967 -0.920 19593 716 1 9 . 1 1 6 6 LEU H H 6 7.048 7.048 7.823 -0.775 19593 717 1 9 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.684 0.124 19593 718 1 9 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.118 -0.902 19593 719 1 9 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.755 -1.122 19593 720 1 9 . 1 1 7 7 ASP H H 7 7.126 7.126 7.514 -0.388 19593 721 1 9 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.193 0.162 19593 722 1 9 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.001 -0.217 19593 723 1 9 . 1 1 8 8 ASN H H 8 9.264 9.264 9.138 0.126 19593 724 1 9 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.532 0.250 19593 725 1 9 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.194 0.007 19593 726 1 9 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.941 2.177 19593 727 1 9 . 1 1 9 9 ASN H H 9 8.813 8.813 8.490 0.323 19593 728 1 9 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.458 0.175 19593 729 1 9 . 1 1 10 10 GLY H H 10 7.911 7.911 8.426 -0.515 19593 730 1 9 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.957 -0.176 19593 731 1 9 . 1 1 11 11 GLY H H 11 8.404 8.404 7.856 0.548 19593 732 1 9 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.654 0.188 19593 733 1 9 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.507 -2.238 19593 734 1 9 . 1 1 12 12 CYS CB C 12 33.663 33.663 27.663 6.000 19593 735 1 9 . 1 1 12 12 CYS H H 12 8.208 8.208 7.786 0.422 19593 736 1 9 . 1 1 13 13 SER HA H 13 4.176 4.176 4.254 -0.078 19593 737 1 9 . 1 1 13 13 SER CA C 13 60.590 60.590 59.932 0.658 19593 738 1 9 . 1 1 13 13 SER CB C 13 62.505 62.505 63.443 -0.938 19593 739 1 9 . 1 1 13 13 SER H H 13 9.300 9.300 8.837 0.463 19593 740 1 9 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.785 0.129 19593 741 1 9 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.733 -2.658 19593 742 1 9 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.336 -1.391 19593 743 1 9 . 1 1 14 14 HIS H H 14 8.991 8.991 7.631 1.360 19593 744 1 9 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.995 0.244 19593 745 1 9 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.074 -0.568 19593 746 1 9 . 1 1 15 15 VAL CB C 15 33.468 33.468 32.143 1.325 19593 747 1 9 . 1 1 15 15 VAL H H 15 7.841 7.841 8.596 -0.755 19593 748 1 9 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.046 0.336 19593 749 1 9 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.730 -2.054 19593 750 1 9 . 1 1 16 16 CYS CB C 16 38.073 38.073 29.342 8.731 19593 751 1 9 . 1 1 16 16 CYS H H 16 9.134 9.134 8.562 0.572 19593 752 1 9 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.930 0.283 19593 753 1 9 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.162 -0.426 19593 754 1 9 . 1 1 17 17 ASN CB C 17 40.682 40.682 40.908 -0.226 19593 755 1 9 . 1 1 17 17 ASN H H 17 9.784 9.784 9.403 0.381 19593 756 1 9 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.738 -0.063 19593 757 1 9 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.682 0.757 19593 758 1 9 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.877 0.069 19593 759 1 9 . 1 1 18 18 ASP H H 18 8.954 8.954 8.554 0.400 19593 760 1 9 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.656 0.136 19593 761 1 9 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.523 0.147 19593 762 1 9 . 1 1 19 19 LEU H H 19 7.818 7.818 7.770 0.048 19593 763 1 9 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.074 -0.096 19593 764 1 9 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.270 1.931 19593 765 1 9 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.417 -0.890 19593 766 1 9 . 1 1 20 20 LYS H H 20 8.846 8.846 8.358 0.488 19593 767 1 9 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.357 -0.079 19593 768 1 9 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.642 -0.472 19593 769 1 9 . 1 1 21 21 ILE CB C 21 37.157 37.157 39.181 -2.024 19593 770 1 9 . 1 1 21 21 ILE H H 21 8.010 8.010 7.444 0.566 19593 771 1 9 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.390 -0.503 19593 772 1 9 . 1 1 22 22 GLY H H 22 8.695 8.695 8.401 0.294 19593 773 1 9 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.125 -0.171 19593 774 1 9 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.923 -5.142 19593 775 1 9 . 1 1 23 23 TYR H H 23 8.502 8.502 7.887 0.615 19593 776 1 9 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.683 0.023 19593 777 1 9 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.176 -0.341 19593 778 1 9 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.979 -1.256 19593 779 1 9 . 1 1 24 24 GLU H H 24 9.253 9.253 8.881 0.372 19593 780 1 9 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.216 0.551 19593 781 1 9 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.425 -7.372 19593 782 1 9 . 1 1 25 25 CYS CB C 25 38.286 38.286 26.775 11.511 19593 783 1 9 . 1 1 25 25 CYS H H 25 8.838 8.838 8.837 0.001 19593 784 1 10 . 1 1 2 2 THR HA H 2 4.405 4.405 4.211 0.194 19593 785 1 10 . 1 1 2 2 THR CA C 2 61.495 61.495 62.394 -0.899 19593 786 1 10 . 1 1 2 2 THR CB C 2 70.521 70.521 68.837 1.684 19593 787 1 10 . 1 1 2 2 THR H H 2 8.575 8.575 8.482 0.093 19593 788 1 10 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.064 0.198 19593 789 1 10 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.061 -1.511 19593 790 1 10 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.395 -2.218 19593 791 1 10 . 1 1 3 3 ASN H H 3 9.143 9.143 8.158 0.985 19593 792 1 10 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.160 -0.477 19593 793 1 10 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.695 1.737 19593 794 1 10 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.312 -1.434 19593 795 1 10 . 1 1 4 4 GLU H H 4 9.480 9.480 8.553 0.927 19593 796 1 10 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.239 -0.133 19593 797 1 10 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.585 -8.254 19593 798 1 10 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.954 10.048 19593 799 1 10 . 1 1 5 5 CYS H H 5 7.960 7.960 8.326 -0.366 19593 800 1 10 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.155 -0.037 19593 801 1 10 . 1 1 6 6 LEU CA C 6 55.703 55.703 57.247 -1.544 19593 802 1 10 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.468 -0.421 19593 803 1 10 . 1 1 6 6 LEU H H 6 7.048 7.048 7.353 -0.305 19593 804 1 10 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.562 0.246 19593 805 1 10 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.391 -1.175 19593 806 1 10 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.156 0.477 19593 807 1 10 . 1 1 7 7 ASP H H 7 7.126 7.126 7.687 -0.561 19593 808 1 10 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.281 0.074 19593 809 1 10 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.254 -0.470 19593 810 1 10 . 1 1 8 8 ASN H H 8 9.264 9.264 8.727 0.537 19593 811 1 10 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.463 0.319 19593 812 1 10 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.164 0.037 19593 813 1 10 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.986 2.132 19593 814 1 10 . 1 1 9 9 ASN H H 9 8.813 8.813 8.368 0.445 19593 815 1 10 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.390 0.243 19593 816 1 10 . 1 1 10 10 GLY H H 10 7.911 7.911 8.400 -0.489 19593 817 1 10 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.266 -0.485 19593 818 1 10 . 1 1 11 11 GLY H H 11 8.404 8.404 7.835 0.569 19593 819 1 10 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.581 0.261 19593 820 1 10 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.522 -2.252 19593 821 1 10 . 1 1 12 12 CYS CB C 12 33.663 33.663 27.627 6.036 19593 822 1 10 . 1 1 12 12 CYS H H 12 8.208 8.208 7.865 0.343 19593 823 1 10 . 1 1 13 13 SER HA H 13 4.176 4.176 4.276 -0.100 19593 824 1 10 . 1 1 13 13 SER CA C 13 60.590 60.590 59.729 0.861 19593 825 1 10 . 1 1 13 13 SER CB C 13 62.505 62.505 63.488 -0.983 19593 826 1 10 . 1 1 13 13 SER H H 13 9.300 9.300 8.847 0.453 19593 827 1 10 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.856 0.058 19593 828 1 10 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.835 -2.760 19593 829 1 10 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.305 -1.360 19593 830 1 10 . 1 1 14 14 HIS H H 14 8.991 8.991 7.532 1.459 19593 831 1 10 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.904 0.335 19593 832 1 10 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.595 -1.089 19593 833 1 10 . 1 1 15 15 VAL CB C 15 33.468 33.468 32.449 1.019 19593 834 1 10 . 1 1 15 15 VAL H H 15 7.841 7.841 8.492 -0.651 19593 835 1 10 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.914 0.468 19593 836 1 10 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.801 -2.126 19593 837 1 10 . 1 1 16 16 CYS CB C 16 38.073 38.073 29.189 8.884 19593 838 1 10 . 1 1 16 16 CYS H H 16 9.134 9.134 8.920 0.214 19593 839 1 10 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.972 0.241 19593 840 1 10 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.669 -0.932 19593 841 1 10 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.719 -1.037 19593 842 1 10 . 1 1 17 17 ASN H H 17 9.784 9.784 9.294 0.490 19593 843 1 10 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.639 0.036 19593 844 1 10 . 1 1 18 18 ASP CA C 18 55.439 55.439 55.354 0.085 19593 845 1 10 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.300 -0.354 19593 846 1 10 . 1 1 18 18 ASP H H 18 8.954 8.954 8.554 0.400 19593 847 1 10 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.659 0.133 19593 848 1 10 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.939 -0.269 19593 849 1 10 . 1 1 19 19 LEU H H 19 7.818 7.818 7.950 -0.132 19593 850 1 10 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.120 -0.142 19593 851 1 10 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.239 1.962 19593 852 1 10 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.458 -0.931 19593 853 1 10 . 1 1 20 20 LYS H H 20 8.846 8.846 8.371 0.475 19593 854 1 10 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.314 -0.036 19593 855 1 10 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.749 -0.579 19593 856 1 10 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.936 -1.779 19593 857 1 10 . 1 1 21 21 ILE H H 21 8.010 8.010 7.495 0.515 19593 858 1 10 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.699 -0.812 19593 859 1 10 . 1 1 22 22 GLY H H 22 8.695 8.695 8.555 0.140 19593 860 1 10 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.086 -0.132 19593 861 1 10 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.827 -5.046 19593 862 1 10 . 1 1 23 23 TYR H H 23 8.502 8.502 8.098 0.404 19593 863 1 10 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.583 0.123 19593 864 1 10 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.542 -0.707 19593 865 1 10 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.630 -0.907 19593 866 1 10 . 1 1 24 24 GLU H H 24 9.253 9.253 8.824 0.429 19593 867 1 10 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.137 0.630 19593 868 1 10 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.496 -7.444 19593 869 1 10 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.302 10.984 19593 870 1 10 . 1 1 25 25 CYS H H 25 8.838 8.838 8.866 -0.028 19593 871 1 11 . 1 1 2 2 THR HA H 2 4.405 4.405 4.452 -0.047 19593 872 1 11 . 1 1 2 2 THR CA C 2 61.495 61.495 61.921 -0.426 19593 873 1 11 . 1 1 2 2 THR CB C 2 70.521 70.521 69.410 1.111 19593 874 1 11 . 1 1 2 2 THR H H 2 8.575 8.575 8.120 0.455 19593 875 1 11 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.176 0.086 19593 876 1 11 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.291 -1.741 19593 877 1 11 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.671 -1.494 19593 878 1 11 . 1 1 3 3 ASN H H 3 9.143 9.143 7.886 1.257 19593 879 1 11 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.070 -0.387 19593 880 1 11 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.797 1.635 19593 881 1 11 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.169 -1.291 19593 882 1 11 . 1 1 4 4 GLU H H 4 9.480 9.480 8.581 0.899 19593 883 1 11 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.261 -0.155 19593 884 1 11 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.446 -8.114 19593 885 1 11 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.987 10.015 19593 886 1 11 . 1 1 5 5 CYS H H 5 7.960 7.960 7.820 0.140 19593 887 1 11 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.043 0.075 19593 888 1 11 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.975 -1.272 19593 889 1 11 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.936 -0.889 19593 890 1 11 . 1 1 6 6 LEU H H 6 7.048 7.048 7.850 -0.802 19593 891 1 11 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.555 0.253 19593 892 1 11 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.774 -1.558 19593 893 1 11 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.970 -0.337 19593 894 1 11 . 1 1 7 7 ASP H H 7 7.126 7.126 7.474 -0.348 19593 895 1 11 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.314 0.041 19593 896 1 11 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.047 -0.263 19593 897 1 11 . 1 1 8 8 ASN H H 8 9.264 9.264 8.775 0.489 19593 898 1 11 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.556 0.226 19593 899 1 11 . 1 1 9 9 ASN CA C 9 54.201 54.201 53.877 0.324 19593 900 1 11 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.527 2.591 19593 901 1 11 . 1 1 9 9 ASN H H 9 8.813 8.813 8.296 0.517 19593 902 1 11 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.383 0.250 19593 903 1 11 . 1 1 10 10 GLY H H 10 7.911 7.911 8.479 -0.568 19593 904 1 11 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.101 -0.320 19593 905 1 11 . 1 1 11 11 GLY H H 11 8.404 8.404 7.784 0.620 19593 906 1 11 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.732 0.110 19593 907 1 11 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.062 -1.794 19593 908 1 11 . 1 1 12 12 CYS CB C 12 33.663 33.663 29.501 4.162 19593 909 1 11 . 1 1 12 12 CYS H H 12 8.208 8.208 7.870 0.338 19593 910 1 11 . 1 1 13 13 SER HA H 13 4.176 4.176 4.407 -0.231 19593 911 1 11 . 1 1 13 13 SER CA C 13 60.590 60.590 59.763 0.827 19593 912 1 11 . 1 1 13 13 SER CB C 13 62.505 62.505 63.557 -1.052 19593 913 1 11 . 1 1 13 13 SER H H 13 9.300 9.300 8.532 0.768 19593 914 1 11 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.657 0.257 19593 915 1 11 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.477 -3.402 19593 916 1 11 . 1 1 14 14 HIS CB C 14 29.945 29.945 30.556 -0.611 19593 917 1 11 . 1 1 14 14 HIS H H 14 8.991 8.991 7.659 1.332 19593 918 1 11 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.977 0.262 19593 919 1 11 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.380 -0.874 19593 920 1 11 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.985 1.482 19593 921 1 11 . 1 1 15 15 VAL H H 15 7.841 7.841 8.436 -0.595 19593 922 1 11 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.978 0.404 19593 923 1 11 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.735 -2.059 19593 924 1 11 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.124 9.949 19593 925 1 11 . 1 1 16 16 CYS H H 16 9.134 9.134 8.756 0.378 19593 926 1 11 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.832 0.381 19593 927 1 11 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.345 -0.609 19593 928 1 11 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.002 -0.320 19593 929 1 11 . 1 1 17 17 ASN H H 17 9.784 9.784 9.259 0.525 19593 930 1 11 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.721 -0.046 19593 931 1 11 . 1 1 18 18 ASP CA C 18 55.439 55.439 53.865 1.574 19593 932 1 11 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.814 0.132 19593 933 1 11 . 1 1 18 18 ASP H H 18 8.954 8.954 8.524 0.430 19593 934 1 11 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.312 0.480 19593 935 1 11 . 1 1 19 19 LEU CB C 19 44.670 44.670 42.707 1.963 19593 936 1 11 . 1 1 19 19 LEU H H 19 7.818 7.818 7.958 -0.140 19593 937 1 11 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.067 -0.089 19593 938 1 11 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.410 1.791 19593 939 1 11 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.640 -1.113 19593 940 1 11 . 1 1 20 20 LYS H H 20 8.846 8.846 8.406 0.440 19593 941 1 11 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.272 0.006 19593 942 1 11 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.698 -0.528 19593 943 1 11 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.887 -1.730 19593 944 1 11 . 1 1 21 21 ILE H H 21 8.010 8.010 7.448 0.562 19593 945 1 11 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.353 -0.466 19593 946 1 11 . 1 1 22 22 GLY H H 22 8.695 8.695 8.498 0.197 19593 947 1 11 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.009 -0.055 19593 948 1 11 . 1 1 23 23 TYR CB C 23 35.781 35.781 41.073 -5.292 19593 949 1 11 . 1 1 23 23 TYR H H 23 8.502 8.502 7.904 0.598 19593 950 1 11 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.628 0.078 19593 951 1 11 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.726 -0.891 19593 952 1 11 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.166 -0.443 19593 953 1 11 . 1 1 24 24 GLU H H 24 9.253 9.253 9.081 0.172 19593 954 1 11 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.290 0.477 19593 955 1 11 . 1 1 25 25 CYS CA C 25 51.053 51.053 59.052 -7.999 19593 956 1 11 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.184 11.102 19593 957 1 11 . 1 1 25 25 CYS H H 25 8.838 8.838 8.885 -0.047 19593 958 1 12 . 1 1 2 2 THR HA H 2 4.405 4.405 4.300 0.105 19593 959 1 12 . 1 1 2 2 THR CA C 2 61.495 61.495 62.355 -0.861 19593 960 1 12 . 1 1 2 2 THR CB C 2 70.521 70.521 69.073 1.448 19593 961 1 12 . 1 1 2 2 THR H H 2 8.575 8.575 8.468 0.107 19593 962 1 12 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.104 0.158 19593 963 1 12 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.170 -1.620 19593 964 1 12 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.894 -1.717 19593 965 1 12 . 1 1 3 3 ASN H H 3 9.143 9.143 8.885 0.258 19593 966 1 12 . 1 1 4 4 GLU HA H 4 3.683 3.683 3.898 -0.215 19593 967 1 12 . 1 1 4 4 GLU CA C 4 60.432 60.432 59.618 0.814 19593 968 1 12 . 1 1 4 4 GLU CB C 4 27.878 27.878 28.727 -0.849 19593 969 1 12 . 1 1 4 4 GLU H H 4 9.480 9.480 8.317 1.163 19593 970 1 12 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.208 -0.102 19593 971 1 12 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.002 -7.671 19593 972 1 12 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.785 10.217 19593 973 1 12 . 1 1 5 5 CYS H H 5 7.960 7.960 8.301 -0.341 19593 974 1 12 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.065 0.053 19593 975 1 12 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.691 -0.988 19593 976 1 12 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.981 -0.934 19593 977 1 12 . 1 1 6 6 LEU H H 6 7.048 7.048 7.691 -0.643 19593 978 1 12 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.640 0.168 19593 979 1 12 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.536 -1.320 19593 980 1 12 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.003 -0.370 19593 981 1 12 . 1 1 7 7 ASP H H 7 7.126 7.126 7.747 -0.621 19593 982 1 12 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.295 0.060 19593 983 1 12 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.181 -0.397 19593 984 1 12 . 1 1 8 8 ASN H H 8 9.264 9.264 8.831 0.433 19593 985 1 12 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.494 0.288 19593 986 1 12 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.233 -0.032 19593 987 1 12 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.852 2.266 19593 988 1 12 . 1 1 9 9 ASN H H 9 8.813 8.813 8.560 0.253 19593 989 1 12 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.663 -0.030 19593 990 1 12 . 1 1 10 10 GLY H H 10 7.911 7.911 8.308 -0.397 19593 991 1 12 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.867 -0.086 19593 992 1 12 . 1 1 11 11 GLY H H 11 8.404 8.404 7.962 0.442 19593 993 1 12 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.707 0.135 19593 994 1 12 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.563 -2.294 19593 995 1 12 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.540 5.123 19593 996 1 12 . 1 1 12 12 CYS H H 12 8.208 8.208 7.764 0.444 19593 997 1 12 . 1 1 13 13 SER HA H 13 4.176 4.176 4.452 -0.276 19593 998 1 12 . 1 1 13 13 SER CA C 13 60.590 60.590 59.665 0.925 19593 999 1 12 . 1 1 13 13 SER CB C 13 62.505 62.505 63.618 -1.113 19593 1000 1 12 . 1 1 13 13 SER H H 13 9.300 9.300 8.627 0.673 19593 1001 1 12 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.752 0.163 19593 1002 1 12 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.395 -3.320 19593 1003 1 12 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.015 -1.070 19593 1004 1 12 . 1 1 14 14 HIS H H 14 8.991 8.991 7.592 1.399 19593 1005 1 12 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.956 0.283 19593 1006 1 12 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.190 -0.684 19593 1007 1 12 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.925 1.543 19593 1008 1 12 . 1 1 15 15 VAL H H 15 7.841 7.841 8.425 -0.584 19593 1009 1 12 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.605 0.777 19593 1010 1 12 . 1 1 16 16 CYS CA C 16 55.676 55.676 58.276 -2.600 19593 1011 1 12 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.429 9.644 19593 1012 1 12 . 1 1 16 16 CYS H H 16 9.134 9.134 8.985 0.149 19593 1013 1 12 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.945 0.268 19593 1014 1 12 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.470 -0.734 19593 1015 1 12 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.447 -0.765 19593 1016 1 12 . 1 1 17 17 ASN H H 17 9.784 9.784 9.207 0.577 19593 1017 1 12 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.809 -0.134 19593 1018 1 12 . 1 1 18 18 ASP CA C 18 55.439 55.439 53.757 1.682 19593 1019 1 12 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.518 -0.572 19593 1020 1 12 . 1 1 18 18 ASP H H 18 8.954 8.954 8.592 0.362 19593 1021 1 12 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.609 0.183 19593 1022 1 12 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.314 0.356 19593 1023 1 12 . 1 1 19 19 LEU H H 19 7.818 7.818 7.745 0.073 19593 1024 1 12 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.125 -0.147 19593 1025 1 12 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.267 1.934 19593 1026 1 12 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.569 -1.042 19593 1027 1 12 . 1 1 20 20 LYS H H 20 8.846 8.846 8.378 0.468 19593 1028 1 12 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.405 -0.127 19593 1029 1 12 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.442 -0.272 19593 1030 1 12 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.523 -1.366 19593 1031 1 12 . 1 1 21 21 ILE H H 21 8.010 8.010 7.460 0.550 19593 1032 1 12 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.842 -0.954 19593 1033 1 12 . 1 1 22 22 GLY H H 22 8.695 8.695 8.525 0.170 19593 1034 1 12 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.019 -0.065 19593 1035 1 12 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.594 -4.813 19593 1036 1 12 . 1 1 23 23 TYR H H 23 8.502 8.502 8.171 0.331 19593 1037 1 12 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.413 0.293 19593 1038 1 12 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.638 -0.803 19593 1039 1 12 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.735 -1.012 19593 1040 1 12 . 1 1 24 24 GLU H H 24 9.253 9.253 8.844 0.409 19593 1041 1 12 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.236 0.531 19593 1042 1 12 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.102 -7.049 19593 1043 1 12 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.383 10.903 19593 1044 1 12 . 1 1 25 25 CYS H H 25 8.838 8.838 8.727 0.111 19593 1045 1 13 . 1 1 2 2 THR HA H 2 4.405 4.405 4.245 0.160 19593 1046 1 13 . 1 1 2 2 THR CA C 2 61.495 61.495 62.360 -0.865 19593 1047 1 13 . 1 1 2 2 THR CB C 2 70.521 70.521 69.504 1.017 19593 1048 1 13 . 1 1 2 2 THR H H 2 8.575 8.575 8.381 0.194 19593 1049 1 13 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.029 0.233 19593 1050 1 13 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.288 -1.738 19593 1051 1 13 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.900 -1.722 19593 1052 1 13 . 1 1 3 3 ASN H H 3 9.143 9.143 8.734 0.409 19593 1053 1 13 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.226 -0.543 19593 1054 1 13 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.356 2.075 19593 1055 1 13 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.270 -1.392 19593 1056 1 13 . 1 1 4 4 GLU H H 4 9.480 9.480 8.593 0.887 19593 1057 1 13 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.376 -0.270 19593 1058 1 13 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.424 -8.093 19593 1059 1 13 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.995 10.007 19593 1060 1 13 . 1 1 5 5 CYS H H 5 7.960 7.960 7.982 -0.022 19593 1061 1 13 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.226 -0.108 19593 1062 1 13 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.617 -0.915 19593 1063 1 13 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.463 -0.416 19593 1064 1 13 . 1 1 6 6 LEU H H 6 7.048 7.048 8.108 -1.060 19593 1065 1 13 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.536 0.272 19593 1066 1 13 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.676 -1.460 19593 1067 1 13 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.948 -0.315 19593 1068 1 13 . 1 1 7 7 ASP H H 7 7.126 7.126 7.684 -0.558 19593 1069 1 13 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.306 0.049 19593 1070 1 13 . 1 1 8 8 ASN CA C 8 53.784 53.784 53.906 -0.122 19593 1071 1 13 . 1 1 8 8 ASN H H 8 9.264 9.264 8.779 0.485 19593 1072 1 13 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.478 0.304 19593 1073 1 13 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.133 0.068 19593 1074 1 13 . 1 1 9 9 ASN CB C 9 40.118 40.118 38.011 2.107 19593 1075 1 13 . 1 1 9 9 ASN H H 9 8.813 8.813 8.189 0.624 19593 1076 1 13 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.498 0.135 19593 1077 1 13 . 1 1 10 10 GLY H H 10 7.911 7.911 8.401 -0.490 19593 1078 1 13 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.258 -0.477 19593 1079 1 13 . 1 1 11 11 GLY H H 11 8.404 8.404 7.944 0.460 19593 1080 1 13 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.752 0.090 19593 1081 1 13 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.262 -1.993 19593 1082 1 13 . 1 1 12 12 CYS CB C 12 33.663 33.663 29.184 4.479 19593 1083 1 13 . 1 1 12 12 CYS H H 12 8.208 8.208 7.632 0.576 19593 1084 1 13 . 1 1 13 13 SER HA H 13 4.176 4.176 4.187 -0.011 19593 1085 1 13 . 1 1 13 13 SER CA C 13 60.590 60.590 60.116 0.474 19593 1086 1 13 . 1 1 13 13 SER CB C 13 62.505 62.505 63.455 -0.950 19593 1087 1 13 . 1 1 13 13 SER H H 13 9.300 9.300 8.726 0.574 19593 1088 1 13 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.769 0.145 19593 1089 1 13 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.839 -2.764 19593 1090 1 13 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.899 -1.954 19593 1091 1 13 . 1 1 14 14 HIS H H 14 8.991 8.991 7.350 1.641 19593 1092 1 13 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.913 0.326 19593 1093 1 13 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.666 -1.160 19593 1094 1 13 . 1 1 15 15 VAL CB C 15 33.468 33.468 32.204 1.264 19593 1095 1 13 . 1 1 15 15 VAL H H 15 7.841 7.841 8.313 -0.472 19593 1096 1 13 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.288 0.094 19593 1097 1 13 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.631 -1.955 19593 1098 1 13 . 1 1 16 16 CYS CB C 16 38.073 38.073 29.159 8.914 19593 1099 1 13 . 1 1 16 16 CYS H H 16 9.134 9.134 8.877 0.257 19593 1100 1 13 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.966 0.247 19593 1101 1 13 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.642 -0.906 19593 1102 1 13 . 1 1 17 17 ASN CB C 17 40.682 40.682 42.179 -1.497 19593 1103 1 13 . 1 1 17 17 ASN H H 17 9.784 9.784 9.339 0.445 19593 1104 1 13 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.613 0.062 19593 1105 1 13 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.920 0.519 19593 1106 1 13 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.270 -0.325 19593 1107 1 13 . 1 1 18 18 ASP H H 18 8.954 8.954 8.664 0.290 19593 1108 1 13 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.606 0.186 19593 1109 1 13 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.655 0.015 19593 1110 1 13 . 1 1 19 19 LEU H H 19 7.818 7.818 7.785 0.033 19593 1111 1 13 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.073 -0.095 19593 1112 1 13 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.581 1.620 19593 1113 1 13 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.496 -0.969 19593 1114 1 13 . 1 1 20 20 LYS H H 20 8.846 8.846 8.359 0.487 19593 1115 1 13 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.263 0.015 19593 1116 1 13 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.497 -0.327 19593 1117 1 13 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.031 -0.874 19593 1118 1 13 . 1 1 21 21 ILE H H 21 8.010 8.010 7.565 0.445 19593 1119 1 13 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.289 -0.402 19593 1120 1 13 . 1 1 22 22 GLY H H 22 8.695 8.695 8.399 0.296 19593 1121 1 13 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.031 -0.077 19593 1122 1 13 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.837 -5.056 19593 1123 1 13 . 1 1 23 23 TYR H H 23 8.502 8.502 8.039 0.463 19593 1124 1 13 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.736 -0.030 19593 1125 1 13 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.373 -0.538 19593 1126 1 13 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.215 -0.492 19593 1127 1 13 . 1 1 24 24 GLU H H 24 9.253 9.253 9.199 0.054 19593 1128 1 13 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.680 0.087 19593 1129 1 13 . 1 1 25 25 CYS CA C 25 51.053 51.053 57.931 -6.878 19593 1130 1 13 . 1 1 25 25 CYS CB C 25 38.286 38.286 28.291 9.995 19593 1131 1 13 . 1 1 25 25 CYS H H 25 8.838 8.838 8.906 -0.068 19593 1132 1 14 . 1 1 2 2 THR HA H 2 4.405 4.405 4.228 0.177 19593 1133 1 14 . 1 1 2 2 THR CA C 2 61.495 61.495 62.623 -1.128 19593 1134 1 14 . 1 1 2 2 THR CB C 2 70.521 70.521 68.724 1.797 19593 1135 1 14 . 1 1 2 2 THR H H 2 8.575 8.575 8.281 0.294 19593 1136 1 14 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.155 0.107 19593 1137 1 14 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.416 -1.866 19593 1138 1 14 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.347 -2.170 19593 1139 1 14 . 1 1 3 3 ASN H H 3 9.143 9.143 8.175 0.968 19593 1140 1 14 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.157 -0.474 19593 1141 1 14 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.842 1.590 19593 1142 1 14 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.444 -1.566 19593 1143 1 14 . 1 1 4 4 GLU H H 4 9.480 9.480 8.410 1.070 19593 1144 1 14 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.274 -0.168 19593 1145 1 14 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.266 -7.935 19593 1146 1 14 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.734 10.268 19593 1147 1 14 . 1 1 5 5 CYS H H 5 7.960 7.960 8.114 -0.154 19593 1148 1 14 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.247 -0.130 19593 1149 1 14 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.504 -0.801 19593 1150 1 14 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.559 -0.512 19593 1151 1 14 . 1 1 6 6 LEU H H 6 7.048 7.048 8.154 -1.106 19593 1152 1 14 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.657 0.151 19593 1153 1 14 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.370 -1.153 19593 1154 1 14 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.389 0.244 19593 1155 1 14 . 1 1 7 7 ASP H H 7 7.126 7.126 7.580 -0.454 19593 1156 1 14 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.300 0.055 19593 1157 1 14 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.063 -0.279 19593 1158 1 14 . 1 1 8 8 ASN H H 8 9.264 9.264 8.659 0.605 19593 1159 1 14 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.425 0.357 19593 1160 1 14 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.299 -0.098 19593 1161 1 14 . 1 1 9 9 ASN CB C 9 40.118 40.118 38.135 1.983 19593 1162 1 14 . 1 1 9 9 ASN H H 9 8.813 8.813 8.421 0.392 19593 1163 1 14 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.516 0.117 19593 1164 1 14 . 1 1 10 10 GLY H H 10 7.911 7.911 8.059 -0.148 19593 1165 1 14 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.207 -0.426 19593 1166 1 14 . 1 1 11 11 GLY H H 11 8.404 8.404 7.719 0.685 19593 1167 1 14 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.595 0.247 19593 1168 1 14 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.348 -2.079 19593 1169 1 14 . 1 1 12 12 CYS CB C 12 33.663 33.663 27.660 6.003 19593 1170 1 14 . 1 1 12 12 CYS H H 12 8.208 8.208 7.884 0.324 19593 1171 1 14 . 1 1 13 13 SER HA H 13 4.176 4.176 4.303 -0.127 19593 1172 1 14 . 1 1 13 13 SER CA C 13 60.590 60.590 60.254 0.336 19593 1173 1 14 . 1 1 13 13 SER CB C 13 62.505 62.505 63.561 -1.056 19593 1174 1 14 . 1 1 13 13 SER H H 13 9.300 9.300 8.784 0.516 19593 1175 1 14 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.756 0.158 19593 1176 1 14 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.840 -2.765 19593 1177 1 14 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.552 -1.607 19593 1178 1 14 . 1 1 14 14 HIS H H 14 8.991 8.991 7.678 1.313 19593 1179 1 14 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.913 0.327 19593 1180 1 14 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.383 -0.877 19593 1181 1 14 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.674 1.794 19593 1182 1 14 . 1 1 15 15 VAL H H 15 7.841 7.841 8.614 -0.773 19593 1183 1 14 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.855 0.527 19593 1184 1 14 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.786 -2.110 19593 1185 1 14 . 1 1 16 16 CYS CB C 16 38.073 38.073 29.702 8.371 19593 1186 1 14 . 1 1 16 16 CYS H H 16 9.134 9.134 8.948 0.186 19593 1187 1 14 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.939 0.274 19593 1188 1 14 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.581 -0.845 19593 1189 1 14 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.509 -0.827 19593 1190 1 14 . 1 1 17 17 ASN H H 17 9.784 9.784 9.309 0.475 19593 1191 1 14 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.771 -0.096 19593 1192 1 14 . 1 1 18 18 ASP CA C 18 55.439 55.439 53.919 1.520 19593 1193 1 14 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.461 -0.515 19593 1194 1 14 . 1 1 18 18 ASP H H 18 8.954 8.954 8.637 0.317 19593 1195 1 14 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.524 0.268 19593 1196 1 14 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.181 0.489 19593 1197 1 14 . 1 1 19 19 LEU H H 19 7.818 7.818 7.796 0.022 19593 1198 1 14 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.218 -0.240 19593 1199 1 14 . 1 1 20 20 LYS CA C 20 60.201 60.201 57.552 2.649 19593 1200 1 14 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.655 -1.128 19593 1201 1 14 . 1 1 20 20 LYS H H 20 8.846 8.846 8.366 0.480 19593 1202 1 14 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.178 0.100 19593 1203 1 14 . 1 1 21 21 ILE CA C 21 60.170 60.170 59.855 0.315 19593 1204 1 14 . 1 1 21 21 ILE CB C 21 37.157 37.157 37.081 0.076 19593 1205 1 14 . 1 1 21 21 ILE H H 21 8.010 8.010 7.668 0.342 19593 1206 1 14 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.252 -0.365 19593 1207 1 14 . 1 1 22 22 GLY H H 22 8.695 8.695 7.967 0.728 19593 1208 1 14 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.108 -0.154 19593 1209 1 14 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.910 -5.129 19593 1210 1 14 . 1 1 23 23 TYR H H 23 8.502 8.502 8.071 0.431 19593 1211 1 14 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.523 0.183 19593 1212 1 14 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.949 -1.114 19593 1213 1 14 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.574 -0.851 19593 1214 1 14 . 1 1 24 24 GLU H H 24 9.253 9.253 8.854 0.399 19593 1215 1 14 . 1 1 25 25 CYS HA H 25 5.767 5.767 4.992 0.775 19593 1216 1 14 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.091 -7.038 19593 1217 1 14 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.220 11.066 19593 1218 1 14 . 1 1 25 25 CYS H H 25 8.838 8.838 8.842 -0.004 19593 1219 1 15 . 1 1 2 2 THR HA H 2 4.405 4.405 4.286 0.119 19593 1220 1 15 . 1 1 2 2 THR CA C 2 61.495 61.495 61.773 -0.278 19593 1221 1 15 . 1 1 2 2 THR CB C 2 70.521 70.521 68.588 1.933 19593 1222 1 15 . 1 1 2 2 THR H H 2 8.575 8.575 8.319 0.256 19593 1223 1 15 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.167 0.095 19593 1224 1 15 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.666 -2.116 19593 1225 1 15 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.252 -2.075 19593 1226 1 15 . 1 1 3 3 ASN H H 3 9.143 9.143 8.212 0.931 19593 1227 1 15 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.297 -0.614 19593 1228 1 15 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.199 2.233 19593 1229 1 15 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.829 -1.951 19593 1230 1 15 . 1 1 4 4 GLU H H 4 9.480 9.480 8.817 0.663 19593 1231 1 15 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.240 -0.134 19593 1232 1 15 . 1 1 5 5 CYS CA C 5 53.331 53.331 60.886 -7.555 19593 1233 1 15 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.749 10.253 19593 1234 1 15 . 1 1 5 5 CYS H H 5 7.960 7.960 8.159 -0.199 19593 1235 1 15 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.077 0.041 19593 1236 1 15 . 1 1 6 6 LEU CA C 6 55.703 55.703 57.427 -1.724 19593 1237 1 15 . 1 1 6 6 LEU CB C 6 41.047 41.047 42.259 -1.212 19593 1238 1 15 . 1 1 6 6 LEU H H 6 7.048 7.048 8.065 -1.017 19593 1239 1 15 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.630 0.178 19593 1240 1 15 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.590 -1.374 19593 1241 1 15 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.812 -0.179 19593 1242 1 15 . 1 1 7 7 ASP H H 7 7.126 7.126 7.513 -0.387 19593 1243 1 15 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.268 0.087 19593 1244 1 15 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.035 -0.251 19593 1245 1 15 . 1 1 8 8 ASN H H 8 9.264 9.264 8.888 0.376 19593 1246 1 15 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.451 0.331 19593 1247 1 15 . 1 1 9 9 ASN CA C 9 54.201 54.201 53.893 0.308 19593 1248 1 15 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.626 2.492 19593 1249 1 15 . 1 1 9 9 ASN H H 9 8.813 8.813 8.338 0.475 19593 1250 1 15 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.421 0.212 19593 1251 1 15 . 1 1 10 10 GLY H H 10 7.911 7.911 8.307 -0.396 19593 1252 1 15 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.884 -0.103 19593 1253 1 15 . 1 1 11 11 GLY H H 11 8.404 8.404 7.806 0.598 19593 1254 1 15 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.652 0.190 19593 1255 1 15 . 1 1 12 12 CYS CA C 12 56.269 56.269 57.974 -1.705 19593 1256 1 15 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.361 5.302 19593 1257 1 15 . 1 1 12 12 CYS H H 12 8.208 8.208 7.860 0.348 19593 1258 1 15 . 1 1 13 13 SER HA H 13 4.176 4.176 4.378 -0.202 19593 1259 1 15 . 1 1 13 13 SER CA C 13 60.590 60.590 60.052 0.538 19593 1260 1 15 . 1 1 13 13 SER CB C 13 62.505 62.505 63.667 -1.162 19593 1261 1 15 . 1 1 13 13 SER H H 13 9.300 9.300 8.807 0.493 19593 1262 1 15 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.807 0.107 19593 1263 1 15 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.874 -2.799 19593 1264 1 15 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.279 -1.334 19593 1265 1 15 . 1 1 14 14 HIS H H 14 8.991 8.991 7.536 1.455 19593 1266 1 15 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.970 0.269 19593 1267 1 15 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.774 -1.268 19593 1268 1 15 . 1 1 15 15 VAL CB C 15 33.468 33.468 32.156 1.312 19593 1269 1 15 . 1 1 15 15 VAL H H 15 7.841 7.841 8.512 -0.671 19593 1270 1 15 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.236 0.146 19593 1271 1 15 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.161 -1.485 19593 1272 1 15 . 1 1 16 16 CYS CB C 16 38.073 38.073 29.613 8.460 19593 1273 1 15 . 1 1 16 16 CYS H H 16 9.134 9.134 8.827 0.307 19593 1274 1 15 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.907 0.306 19593 1275 1 15 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.407 -0.671 19593 1276 1 15 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.465 -0.783 19593 1277 1 15 . 1 1 17 17 ASN H H 17 9.784 9.784 9.325 0.459 19593 1278 1 15 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.697 -0.022 19593 1279 1 15 . 1 1 18 18 ASP CA C 18 55.439 55.439 53.873 1.566 19593 1280 1 15 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.242 0.704 19593 1281 1 15 . 1 1 18 18 ASP H H 18 8.954 8.954 8.567 0.387 19593 1282 1 15 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.349 0.443 19593 1283 1 15 . 1 1 19 19 LEU CB C 19 44.670 44.670 42.580 2.090 19593 1284 1 15 . 1 1 19 19 LEU H H 19 7.818 7.818 7.772 0.046 19593 1285 1 15 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.054 -0.076 19593 1286 1 15 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.753 1.448 19593 1287 1 15 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.683 -1.156 19593 1288 1 15 . 1 1 20 20 LYS H H 20 8.846 8.846 8.277 0.569 19593 1289 1 15 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.149 0.129 19593 1290 1 15 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.975 -0.805 19593 1291 1 15 . 1 1 21 21 ILE CB C 21 37.157 37.157 37.702 -0.544 19593 1292 1 15 . 1 1 21 21 ILE H H 21 8.010 8.010 7.682 0.328 19593 1293 1 15 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.490 -0.603 19593 1294 1 15 . 1 1 22 22 GLY H H 22 8.695 8.695 8.390 0.305 19593 1295 1 15 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.269 -0.315 19593 1296 1 15 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.663 -4.882 19593 1297 1 15 . 1 1 23 23 TYR H H 23 8.502 8.502 7.764 0.738 19593 1298 1 15 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.622 0.084 19593 1299 1 15 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.686 -0.851 19593 1300 1 15 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.472 -0.749 19593 1301 1 15 . 1 1 24 24 GLU H H 24 9.253 9.253 8.726 0.527 19593 1302 1 15 . 1 1 25 25 CYS HA H 25 5.767 5.767 4.821 0.946 19593 1303 1 15 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.739 -7.686 19593 1304 1 15 . 1 1 25 25 CYS CB C 25 38.286 38.286 26.352 11.934 19593 1305 1 15 . 1 1 25 25 CYS H H 25 8.838 8.838 8.993 -0.155 19593 1306 1 16 . 1 1 2 2 THR HA H 2 4.405 4.405 4.414 -0.009 19593 1307 1 16 . 1 1 2 2 THR CA C 2 61.495 61.495 61.806 -0.311 19593 1308 1 16 . 1 1 2 2 THR CB C 2 70.521 70.521 69.569 0.952 19593 1309 1 16 . 1 1 2 2 THR H H 2 8.575 8.575 8.313 0.262 19593 1310 1 16 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.074 0.188 19593 1311 1 16 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.472 -1.922 19593 1312 1 16 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.081 -1.904 19593 1313 1 16 . 1 1 3 3 ASN H H 3 9.143 9.143 8.718 0.425 19593 1314 1 16 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.164 -0.481 19593 1315 1 16 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.293 2.139 19593 1316 1 16 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.231 -1.353 19593 1317 1 16 . 1 1 4 4 GLU H H 4 9.480 9.480 8.236 1.244 19593 1318 1 16 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.306 -0.200 19593 1319 1 16 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.158 -7.827 19593 1320 1 16 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.901 10.101 19593 1321 1 16 . 1 1 5 5 CYS H H 5 7.960 7.960 7.856 0.104 19593 1322 1 16 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.377 -0.259 19593 1323 1 16 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.159 -0.456 19593 1324 1 16 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.585 -0.538 19593 1325 1 16 . 1 1 6 6 LEU H H 6 7.048 7.048 8.196 -1.148 19593 1326 1 16 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.645 0.163 19593 1327 1 16 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.435 -1.219 19593 1328 1 16 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.412 0.221 19593 1329 1 16 . 1 1 7 7 ASP H H 7 7.126 7.126 7.267 -0.141 19593 1330 1 16 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.314 0.041 19593 1331 1 16 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.105 -0.321 19593 1332 1 16 . 1 1 8 8 ASN H H 8 9.264 9.264 8.616 0.648 19593 1333 1 16 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.548 0.234 19593 1334 1 16 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.001 0.200 19593 1335 1 16 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.846 2.272 19593 1336 1 16 . 1 1 9 9 ASN H H 9 8.813 8.813 8.431 0.382 19593 1337 1 16 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.564 0.069 19593 1338 1 16 . 1 1 10 10 GLY H H 10 7.911 7.911 8.351 -0.440 19593 1339 1 16 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.255 -0.474 19593 1340 1 16 . 1 1 11 11 GLY H H 11 8.404 8.404 7.932 0.472 19593 1341 1 16 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.801 0.041 19593 1342 1 16 . 1 1 12 12 CYS CA C 12 56.269 56.269 57.637 -1.368 19593 1343 1 16 . 1 1 12 12 CYS CB C 12 33.663 33.663 29.761 3.902 19593 1344 1 16 . 1 1 12 12 CYS H H 12 8.208 8.208 7.786 0.422 19593 1345 1 16 . 1 1 13 13 SER HA H 13 4.176 4.176 4.296 -0.120 19593 1346 1 16 . 1 1 13 13 SER CA C 13 60.590 60.590 59.492 1.098 19593 1347 1 16 . 1 1 13 13 SER CB C 13 62.505 62.505 63.828 -1.323 19593 1348 1 16 . 1 1 13 13 SER H H 13 9.300 9.300 8.566 0.734 19593 1349 1 16 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.698 0.216 19593 1350 1 16 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.358 -3.283 19593 1351 1 16 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.317 -1.372 19593 1352 1 16 . 1 1 14 14 HIS H H 14 8.991 8.991 7.730 1.261 19593 1353 1 16 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.963 0.276 19593 1354 1 16 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.194 -0.688 19593 1355 1 16 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.750 1.718 19593 1356 1 16 . 1 1 15 15 VAL H H 15 7.841 7.841 8.367 -0.526 19593 1357 1 16 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.983 0.399 19593 1358 1 16 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.747 -2.071 19593 1359 1 16 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.920 9.153 19593 1360 1 16 . 1 1 16 16 CYS H H 16 9.134 9.134 8.798 0.336 19593 1361 1 16 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.941 0.272 19593 1362 1 16 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.399 -0.663 19593 1363 1 16 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.414 -0.732 19593 1364 1 16 . 1 1 17 17 ASN H H 17 9.784 9.784 9.297 0.487 19593 1365 1 16 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.737 -0.062 19593 1366 1 16 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.429 1.010 19593 1367 1 16 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.947 -0.001 19593 1368 1 16 . 1 1 18 18 ASP H H 18 8.954 8.954 8.567 0.387 19593 1369 1 16 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.583 0.209 19593 1370 1 16 . 1 1 19 19 LEU CB C 19 44.670 44.670 43.715 0.955 19593 1371 1 16 . 1 1 19 19 LEU H H 19 7.818 7.818 7.944 -0.126 19593 1372 1 16 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.112 -0.134 19593 1373 1 16 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.476 1.725 19593 1374 1 16 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.751 -1.224 19593 1375 1 16 . 1 1 20 20 LYS H H 20 8.846 8.846 8.365 0.481 19593 1376 1 16 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.231 0.047 19593 1377 1 16 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.103 0.067 19593 1378 1 16 . 1 1 21 21 ILE CB C 21 37.157 37.157 37.577 -0.420 19593 1379 1 16 . 1 1 21 21 ILE H H 21 8.010 8.010 7.726 0.284 19593 1380 1 16 . 1 1 22 22 GLY CA C 22 44.887 44.887 44.762 0.125 19593 1381 1 16 . 1 1 22 22 GLY H H 22 8.695 8.695 8.141 0.554 19593 1382 1 16 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.025 -0.071 19593 1383 1 16 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.175 -4.394 19593 1384 1 16 . 1 1 23 23 TYR H H 23 8.502 8.502 8.074 0.428 19593 1385 1 16 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.461 0.245 19593 1386 1 16 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.453 -0.619 19593 1387 1 16 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.186 -0.463 19593 1388 1 16 . 1 1 24 24 GLU H H 24 9.253 9.253 8.977 0.276 19593 1389 1 16 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.351 0.416 19593 1390 1 16 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.009 -6.956 19593 1391 1 16 . 1 1 25 25 CYS CB C 25 38.286 38.286 28.119 10.167 19593 1392 1 16 . 1 1 25 25 CYS H H 25 8.838 8.838 8.740 0.098 19593 1393 1 17 . 1 1 2 2 THR HA H 2 4.405 4.405 4.386 0.019 19593 1394 1 17 . 1 1 2 2 THR CA C 2 61.495 61.495 62.084 -0.589 19593 1395 1 17 . 1 1 2 2 THR CB C 2 70.521 70.521 69.496 1.025 19593 1396 1 17 . 1 1 2 2 THR H H 2 8.575 8.575 8.265 0.310 19593 1397 1 17 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.125 0.137 19593 1398 1 17 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.342 -1.792 19593 1399 1 17 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.636 -1.459 19593 1400 1 17 . 1 1 3 3 ASN H H 3 9.143 9.143 8.459 0.684 19593 1401 1 17 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.054 -0.371 19593 1402 1 17 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.933 1.499 19593 1403 1 17 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.436 -1.558 19593 1404 1 17 . 1 1 4 4 GLU H H 4 9.480 9.480 8.482 0.998 19593 1405 1 17 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.397 -0.291 19593 1406 1 17 . 1 1 5 5 CYS CA C 5 53.331 53.331 60.807 -7.476 19593 1407 1 17 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.879 10.123 19593 1408 1 17 . 1 1 5 5 CYS H H 5 7.960 7.960 7.883 0.077 19593 1409 1 17 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.202 -0.084 19593 1410 1 17 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.552 -0.849 19593 1411 1 17 . 1 1 6 6 LEU CB C 6 41.047 41.047 42.163 -1.116 19593 1412 1 17 . 1 1 6 6 LEU H H 6 7.048 7.048 7.528 -0.480 19593 1413 1 17 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.703 0.105 19593 1414 1 17 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.070 -0.854 19593 1415 1 17 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.181 -0.548 19593 1416 1 17 . 1 1 7 7 ASP H H 7 7.126 7.126 7.355 -0.229 19593 1417 1 17 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.189 0.166 19593 1418 1 17 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.208 -0.424 19593 1419 1 17 . 1 1 8 8 ASN H H 8 9.264 9.264 9.172 0.092 19593 1420 1 17 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.479 0.303 19593 1421 1 17 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.184 0.017 19593 1422 1 17 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.726 2.392 19593 1423 1 17 . 1 1 9 9 ASN H H 9 8.813 8.813 8.485 0.328 19593 1424 1 17 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.432 0.201 19593 1425 1 17 . 1 1 10 10 GLY H H 10 7.911 7.911 8.265 -0.354 19593 1426 1 17 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.100 -0.319 19593 1427 1 17 . 1 1 11 11 GLY H H 11 8.404 8.404 8.012 0.392 19593 1428 1 17 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.751 0.091 19593 1429 1 17 . 1 1 12 12 CYS CA C 12 56.269 56.269 57.755 -1.486 19593 1430 1 17 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.997 4.665 19593 1431 1 17 . 1 1 12 12 CYS H H 12 8.208 8.208 7.781 0.427 19593 1432 1 17 . 1 1 13 13 SER HA H 13 4.176 4.176 4.364 -0.188 19593 1433 1 17 . 1 1 13 13 SER CA C 13 60.590 60.590 59.833 0.757 19593 1434 1 17 . 1 1 13 13 SER CB C 13 62.505 62.505 63.926 -1.421 19593 1435 1 17 . 1 1 13 13 SER H H 13 9.300 9.300 8.643 0.657 19593 1436 1 17 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.733 0.181 19593 1437 1 17 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.345 -3.270 19593 1438 1 17 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.452 -1.507 19593 1439 1 17 . 1 1 14 14 HIS H H 14 8.991 8.991 7.736 1.255 19593 1440 1 17 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.967 0.272 19593 1441 1 17 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.536 -1.030 19593 1442 1 17 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.177 2.291 19593 1443 1 17 . 1 1 15 15 VAL H H 15 7.841 7.841 8.556 -0.715 19593 1444 1 17 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.006 0.376 19593 1445 1 17 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.788 -2.112 19593 1446 1 17 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.279 9.794 19593 1447 1 17 . 1 1 16 16 CYS H H 16 9.134 9.134 8.762 0.372 19593 1448 1 17 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.929 0.284 19593 1449 1 17 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.593 -0.857 19593 1450 1 17 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.914 -1.232 19593 1451 1 17 . 1 1 17 17 ASN H H 17 9.784 9.784 9.390 0.394 19593 1452 1 17 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.649 0.026 19593 1453 1 17 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.345 1.094 19593 1454 1 17 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.886 0.060 19593 1455 1 17 . 1 1 18 18 ASP H H 18 8.954 8.954 8.685 0.269 19593 1456 1 17 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.379 0.413 19593 1457 1 17 . 1 1 19 19 LEU CB C 19 44.670 44.670 43.179 1.491 19593 1458 1 17 . 1 1 19 19 LEU H H 19 7.818 7.818 7.699 0.119 19593 1459 1 17 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.097 -0.119 19593 1460 1 17 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.387 1.814 19593 1461 1 17 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.434 -0.908 19593 1462 1 17 . 1 1 20 20 LYS H H 20 8.846 8.846 8.346 0.500 19593 1463 1 17 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.137 0.141 19593 1464 1 17 . 1 1 21 21 ILE CA C 21 60.170 60.170 59.892 0.279 19593 1465 1 17 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.787 -1.630 19593 1466 1 17 . 1 1 21 21 ILE H H 21 8.010 8.010 7.564 0.446 19593 1467 1 17 . 1 1 22 22 GLY CA C 22 44.887 44.887 44.959 -0.072 19593 1468 1 17 . 1 1 22 22 GLY H H 22 8.695 8.695 8.833 -0.138 19593 1469 1 17 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.360 -0.406 19593 1470 1 17 . 1 1 23 23 TYR CB C 23 35.781 35.781 41.057 -5.276 19593 1471 1 17 . 1 1 23 23 TYR H H 23 8.502 8.502 7.964 0.538 19593 1472 1 17 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.617 0.089 19593 1473 1 17 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.279 -0.444 19593 1474 1 17 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.487 -0.764 19593 1475 1 17 . 1 1 24 24 GLU H H 24 9.253 9.253 9.150 0.103 19593 1476 1 17 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.431 0.336 19593 1477 1 17 . 1 1 25 25 CYS CA C 25 51.053 51.053 57.868 -6.815 19593 1478 1 17 . 1 1 25 25 CYS CB C 25 38.286 38.286 28.329 9.957 19593 1479 1 17 . 1 1 25 25 CYS H H 25 8.838 8.838 8.847 -0.009 19593 1480 1 18 . 1 1 2 2 THR HA H 2 4.405 4.405 4.346 0.059 19593 1481 1 18 . 1 1 2 2 THR CA C 2 61.495 61.495 62.087 -0.592 19593 1482 1 18 . 1 1 2 2 THR CB C 2 70.521 70.521 68.859 1.662 19593 1483 1 18 . 1 1 2 2 THR H H 2 8.575 8.575 8.381 0.194 19593 1484 1 18 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.075 0.187 19593 1485 1 18 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.410 -1.860 19593 1486 1 18 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.908 -1.731 19593 1487 1 18 . 1 1 3 3 ASN H H 3 9.143 9.143 8.544 0.599 19593 1488 1 18 . 1 1 4 4 GLU HA H 4 3.683 3.683 3.923 -0.240 19593 1489 1 18 . 1 1 4 4 GLU CA C 4 60.432 60.432 59.628 0.804 19593 1490 1 18 . 1 1 4 4 GLU CB C 4 27.878 27.878 28.776 -0.898 19593 1491 1 18 . 1 1 4 4 GLU H H 4 9.480 9.480 8.430 1.050 19593 1492 1 18 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.235 -0.129 19593 1493 1 18 . 1 1 5 5 CYS CA C 5 53.331 53.331 60.678 -7.346 19593 1494 1 18 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.759 10.243 19593 1495 1 18 . 1 1 5 5 CYS H H 5 7.960 7.960 8.271 -0.311 19593 1496 1 18 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.072 0.046 19593 1497 1 18 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.697 -0.994 19593 1498 1 18 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.916 -0.869 19593 1499 1 18 . 1 1 6 6 LEU H H 6 7.048 7.048 7.645 -0.597 19593 1500 1 18 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.657 0.151 19593 1501 1 18 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.443 -1.226 19593 1502 1 18 . 1 1 7 7 ASP CB C 7 40.633 40.633 40.690 -0.056 19593 1503 1 18 . 1 1 7 7 ASP H H 7 7.126 7.126 7.663 -0.537 19593 1504 1 18 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.328 0.027 19593 1505 1 18 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.099 -0.315 19593 1506 1 18 . 1 1 8 8 ASN H H 8 9.264 9.264 8.793 0.471 19593 1507 1 18 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.453 0.329 19593 1508 1 18 . 1 1 9 9 ASN CA C 9 54.201 54.201 53.994 0.207 19593 1509 1 18 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.707 2.411 19593 1510 1 18 . 1 1 9 9 ASN H H 9 8.813 8.813 8.390 0.423 19593 1511 1 18 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.404 0.229 19593 1512 1 18 . 1 1 10 10 GLY H H 10 7.911 7.911 8.172 -0.261 19593 1513 1 18 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.184 -0.403 19593 1514 1 18 . 1 1 11 11 GLY H H 11 8.404 8.404 7.933 0.471 19593 1515 1 18 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.764 0.078 19593 1516 1 18 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.256 -1.987 19593 1517 1 18 . 1 1 12 12 CYS CB C 12 33.663 33.663 29.393 4.270 19593 1518 1 18 . 1 1 12 12 CYS H H 12 8.208 8.208 7.744 0.464 19593 1519 1 18 . 1 1 13 13 SER HA H 13 4.176 4.176 4.402 -0.226 19593 1520 1 18 . 1 1 13 13 SER CA C 13 60.590 60.590 59.814 0.776 19593 1521 1 18 . 1 1 13 13 SER CB C 13 62.505 62.505 63.609 -1.104 19593 1522 1 18 . 1 1 13 13 SER H H 13 9.300 9.300 8.827 0.473 19593 1523 1 18 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.795 0.119 19593 1524 1 18 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.856 -2.781 19593 1525 1 18 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.331 -1.385 19593 1526 1 18 . 1 1 14 14 HIS H H 14 8.991 8.991 7.411 1.580 19593 1527 1 18 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.990 0.249 19593 1528 1 18 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.506 -1.000 19593 1529 1 18 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.645 1.823 19593 1530 1 18 . 1 1 15 15 VAL H H 15 7.841 7.841 8.265 -0.424 19593 1531 1 18 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.586 0.796 19593 1532 1 18 . 1 1 16 16 CYS CA C 16 55.676 55.676 58.479 -2.803 19593 1533 1 18 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.096 9.977 19593 1534 1 18 . 1 1 16 16 CYS H H 16 9.134 9.134 8.810 0.324 19593 1535 1 18 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.938 0.275 19593 1536 1 18 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.170 -0.434 19593 1537 1 18 . 1 1 17 17 ASN CB C 17 40.682 40.682 40.699 -0.017 19593 1538 1 18 . 1 1 17 17 ASN H H 17 9.784 9.784 9.166 0.618 19593 1539 1 18 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.734 -0.059 19593 1540 1 18 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.442 0.997 19593 1541 1 18 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.238 -0.292 19593 1542 1 18 . 1 1 18 18 ASP H H 18 8.954 8.954 8.515 0.439 19593 1543 1 18 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.541 0.251 19593 1544 1 18 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.284 0.386 19593 1545 1 18 . 1 1 19 19 LEU H H 19 7.818 7.818 7.845 -0.027 19593 1546 1 18 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.146 -0.168 19593 1547 1 18 . 1 1 20 20 LYS CA C 20 60.201 60.201 57.706 2.495 19593 1548 1 18 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.451 -0.924 19593 1549 1 18 . 1 1 20 20 LYS H H 20 8.846 8.846 8.310 0.536 19593 1550 1 18 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.180 0.098 19593 1551 1 18 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.426 -0.256 19593 1552 1 18 . 1 1 21 21 ILE CB C 21 37.157 37.157 36.157 1.000 19593 1553 1 18 . 1 1 21 21 ILE H H 21 8.010 8.010 7.787 0.223 19593 1554 1 18 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.556 -0.669 19593 1555 1 18 . 1 1 22 22 GLY H H 22 8.695 8.695 8.412 0.283 19593 1556 1 18 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.074 -0.120 19593 1557 1 18 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.655 -4.874 19593 1558 1 18 . 1 1 23 23 TYR H H 23 8.502 8.502 8.263 0.239 19593 1559 1 18 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.305 0.401 19593 1560 1 18 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.676 -0.841 19593 1561 1 18 . 1 1 24 24 GLU CB C 24 32.723 32.723 32.972 -0.249 19593 1562 1 18 . 1 1 24 24 GLU H H 24 9.253 9.253 8.978 0.275 19593 1563 1 18 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.352 0.415 19593 1564 1 18 . 1 1 25 25 CYS CA C 25 51.053 51.053 57.862 -6.809 19593 1565 1 18 . 1 1 25 25 CYS CB C 25 38.286 38.286 29.842 8.444 19593 1566 1 18 . 1 1 25 25 CYS H H 25 8.838 8.838 8.654 0.184 19593 1567 1 19 . 1 1 2 2 THR HA H 2 4.405 4.405 4.187 0.218 19593 1568 1 19 . 1 1 2 2 THR CA C 2 61.495 61.495 62.810 -1.315 19593 1569 1 19 . 1 1 2 2 THR CB C 2 70.521 70.521 68.896 1.625 19593 1570 1 19 . 1 1 2 2 THR H H 2 8.575 8.575 8.555 0.020 19593 1571 1 19 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.142 0.120 19593 1572 1 19 . 1 1 3 3 ASN CA C 3 50.550 50.550 51.814 -1.264 19593 1573 1 19 . 1 1 3 3 ASN CB C 3 37.177 37.177 38.903 -1.726 19593 1574 1 19 . 1 1 3 3 ASN H H 3 9.143 9.143 8.579 0.564 19593 1575 1 19 . 1 1 4 4 GLU HA H 4 3.683 3.683 3.932 -0.249 19593 1576 1 19 . 1 1 4 4 GLU CA C 4 60.432 60.432 59.852 0.580 19593 1577 1 19 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.073 -1.196 19593 1578 1 19 . 1 1 4 4 GLU H H 4 9.480 9.480 8.176 1.304 19593 1579 1 19 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.246 -0.140 19593 1580 1 19 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.318 -7.987 19593 1581 1 19 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.800 10.201 19593 1582 1 19 . 1 1 5 5 CYS H H 5 7.960 7.960 8.307 -0.347 19593 1583 1 19 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.295 -0.177 19593 1584 1 19 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.101 -0.398 19593 1585 1 19 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.585 -0.538 19593 1586 1 19 . 1 1 6 6 LEU H H 6 7.048 7.048 7.757 -0.709 19593 1587 1 19 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.693 0.115 19593 1588 1 19 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.414 -1.198 19593 1589 1 19 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.454 -0.821 19593 1590 1 19 . 1 1 7 7 ASP H H 7 7.126 7.126 7.728 -0.602 19593 1591 1 19 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.210 0.145 19593 1592 1 19 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.103 -0.319 19593 1593 1 19 . 1 1 8 8 ASN H H 8 9.264 9.264 9.054 0.210 19593 1594 1 19 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.519 0.263 19593 1595 1 19 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.122 0.079 19593 1596 1 19 . 1 1 9 9 ASN CB C 9 40.118 40.118 38.006 2.112 19593 1597 1 19 . 1 1 9 9 ASN H H 9 8.813 8.813 8.569 0.244 19593 1598 1 19 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.136 0.497 19593 1599 1 19 . 1 1 10 10 GLY H H 10 7.911 7.911 8.064 -0.153 19593 1600 1 19 . 1 1 11 11 GLY CA C 11 44.781 44.781 44.928 -0.147 19593 1601 1 19 . 1 1 11 11 GLY H H 11 8.404 8.404 7.856 0.548 19593 1602 1 19 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.573 0.269 19593 1603 1 19 . 1 1 12 12 CYS CA C 12 56.269 56.269 57.711 -1.442 19593 1604 1 19 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.939 4.724 19593 1605 1 19 . 1 1 12 12 CYS H H 12 8.208 8.208 7.613 0.595 19593 1606 1 19 . 1 1 13 13 SER HA H 13 4.176 4.176 4.310 -0.134 19593 1607 1 19 . 1 1 13 13 SER CA C 13 60.590 60.590 59.842 0.749 19593 1608 1 19 . 1 1 13 13 SER CB C 13 62.505 62.505 63.242 -0.737 19593 1609 1 19 . 1 1 13 13 SER H H 13 9.300 9.300 8.412 0.888 19593 1610 1 19 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.669 0.245 19593 1611 1 19 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.784 -2.709 19593 1612 1 19 . 1 1 14 14 HIS CB C 14 29.945 29.945 29.610 0.335 19593 1613 1 19 . 1 1 14 14 HIS H H 14 8.991 8.991 7.271 1.720 19593 1614 1 19 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.979 0.260 19593 1615 1 19 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.448 -0.942 19593 1616 1 19 . 1 1 15 15 VAL CB C 15 33.468 33.468 32.059 1.409 19593 1617 1 19 . 1 1 15 15 VAL H H 15 7.841 7.841 8.288 -0.447 19593 1618 1 19 . 1 1 16 16 CYS HA H 16 5.382 5.382 5.035 0.347 19593 1619 1 19 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.629 -1.953 19593 1620 1 19 . 1 1 16 16 CYS CB C 16 38.073 38.073 30.108 7.965 19593 1621 1 19 . 1 1 16 16 CYS H H 16 9.134 9.134 8.787 0.347 19593 1622 1 19 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.957 0.256 19593 1623 1 19 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.565 -0.829 19593 1624 1 19 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.382 -0.700 19593 1625 1 19 . 1 1 17 17 ASN H H 17 9.784 9.784 9.395 0.389 19593 1626 1 19 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.709 -0.034 19593 1627 1 19 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.741 0.698 19593 1628 1 19 . 1 1 18 18 ASP CB C 18 40.946 40.946 40.977 -0.031 19593 1629 1 19 . 1 1 18 18 ASP H H 18 8.954 8.954 8.526 0.428 19593 1630 1 19 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.604 0.188 19593 1631 1 19 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.095 0.575 19593 1632 1 19 . 1 1 19 19 LEU H H 19 7.818 7.818 8.046 -0.228 19593 1633 1 19 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.128 -0.150 19593 1634 1 19 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.321 1.880 19593 1635 1 19 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.828 -1.301 19593 1636 1 19 . 1 1 20 20 LYS H H 20 8.846 8.846 8.327 0.519 19593 1637 1 19 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.215 0.063 19593 1638 1 19 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.792 -0.622 19593 1639 1 19 . 1 1 21 21 ILE CB C 21 37.157 37.157 35.771 1.386 19593 1640 1 19 . 1 1 21 21 ILE H H 21 8.010 8.010 7.840 0.170 19593 1641 1 19 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.524 -0.637 19593 1642 1 19 . 1 1 22 22 GLY H H 22 8.695 8.695 8.366 0.329 19593 1643 1 19 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.109 -0.155 19593 1644 1 19 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.826 -5.045 19593 1645 1 19 . 1 1 23 23 TYR H H 23 8.502 8.502 7.916 0.586 19593 1646 1 19 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.594 0.112 19593 1647 1 19 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.368 -0.533 19593 1648 1 19 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.274 -0.551 19593 1649 1 19 . 1 1 24 24 GLU H H 24 9.253 9.253 9.111 0.142 19593 1650 1 19 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.177 0.590 19593 1651 1 19 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.130 -7.077 19593 1652 1 19 . 1 1 25 25 CYS CB C 25 38.286 38.286 28.661 9.625 19593 1653 1 19 . 1 1 25 25 CYS H H 25 8.838 8.838 8.822 0.017 19593 1654 1 20 . 1 1 2 2 THR HA H 2 4.405 4.405 4.414 -0.009 19593 1655 1 20 . 1 1 2 2 THR CA C 2 61.495 61.495 61.520 -0.025 19593 1656 1 20 . 1 1 2 2 THR CB C 2 70.521 70.521 69.243 1.278 19593 1657 1 20 . 1 1 2 2 THR H H 2 8.575 8.575 8.415 0.161 19593 1658 1 20 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.108 0.154 19593 1659 1 20 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.699 -2.149 19593 1660 1 20 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.515 -2.338 19593 1661 1 20 . 1 1 3 3 ASN H H 3 9.143 9.143 8.754 0.390 19593 1662 1 20 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.152 -0.469 19593 1663 1 20 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.206 2.226 19593 1664 1 20 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.384 -1.506 19593 1665 1 20 . 1 1 4 4 GLU H H 4 9.480 9.480 8.854 0.626 19593 1666 1 20 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.097 0.009 19593 1667 1 20 . 1 1 5 5 CYS CA C 5 53.331 53.331 62.338 -9.007 19593 1668 1 20 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.728 10.274 19593 1669 1 20 . 1 1 5 5 CYS H H 5 7.960 7.960 8.664 -0.704 19593 1670 1 20 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.023 0.095 19593 1671 1 20 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.596 -0.894 19593 1672 1 20 . 1 1 6 6 LEU CB C 6 41.047 41.047 42.025 -0.978 19593 1673 1 20 . 1 1 6 6 LEU H H 6 7.048 7.048 8.027 -0.979 19593 1674 1 20 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.719 0.089 19593 1675 1 20 . 1 1 7 7 ASP CA C 7 52.216 52.216 52.891 -0.675 19593 1676 1 20 . 1 1 7 7 ASP CB C 7 40.633 40.633 42.349 -1.716 19593 1677 1 20 . 1 1 7 7 ASP H H 7 7.126 7.126 7.539 -0.413 19593 1678 1 20 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.204 0.151 19593 1679 1 20 . 1 1 8 8 ASN CA C 8 53.784 53.784 53.866 -0.082 19593 1680 1 20 . 1 1 8 8 ASN H H 8 9.264 9.264 9.194 0.070 19593 1681 1 20 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.533 0.249 19593 1682 1 20 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.049 0.152 19593 1683 1 20 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.592 2.526 19593 1684 1 20 . 1 1 9 9 ASN H H 9 8.813 8.813 8.490 0.323 19593 1685 1 20 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.559 0.074 19593 1686 1 20 . 1 1 10 10 GLY H H 10 7.911 7.911 8.322 -0.411 19593 1687 1 20 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.094 -0.313 19593 1688 1 20 . 1 1 11 11 GLY H H 11 8.404 8.404 8.041 0.363 19593 1689 1 20 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.548 0.294 19593 1690 1 20 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.798 -2.530 19593 1691 1 20 . 1 1 12 12 CYS CB C 12 33.663 33.663 27.219 6.444 19593 1692 1 20 . 1 1 12 12 CYS H H 12 8.208 8.208 7.893 0.315 19593 1693 1 20 . 1 1 13 13 SER HA H 13 4.176 4.176 4.374 -0.198 19593 1694 1 20 . 1 1 13 13 SER CA C 13 60.590 60.590 59.414 1.176 19593 1695 1 20 . 1 1 13 13 SER CB C 13 62.505 62.505 63.069 -0.563 19593 1696 1 20 . 1 1 13 13 SER H H 13 9.300 9.300 8.636 0.664 19593 1697 1 20 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.654 0.260 19593 1698 1 20 . 1 1 14 14 HIS CA C 14 52.075 52.075 55.064 -2.989 19593 1699 1 20 . 1 1 14 14 HIS CB C 14 29.945 29.945 30.465 -0.520 19593 1700 1 20 . 1 1 14 14 HIS H H 14 8.991 8.991 7.554 1.437 19593 1701 1 20 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.943 0.296 19593 1702 1 20 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.487 -0.981 19593 1703 1 20 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.908 1.560 19593 1704 1 20 . 1 1 15 15 VAL H H 15 7.841 7.841 8.437 -0.596 19593 1705 1 20 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.831 0.551 19593 1706 1 20 . 1 1 16 16 CYS CA C 16 55.676 55.676 58.054 -2.378 19593 1707 1 20 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.473 9.601 19593 1708 1 20 . 1 1 16 16 CYS H H 16 9.134 9.134 8.913 0.221 19593 1709 1 20 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.955 0.258 19593 1710 1 20 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.397 -0.661 19593 1711 1 20 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.191 -0.510 19593 1712 1 20 . 1 1 17 17 ASN H H 17 9.784 9.784 9.214 0.570 19593 1713 1 20 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.863 -0.188 19593 1714 1 20 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.291 1.148 19593 1715 1 20 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.992 -1.046 19593 1716 1 20 . 1 1 18 18 ASP H H 18 8.954 8.954 8.556 0.398 19593 1717 1 20 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.732 0.060 19593 1718 1 20 . 1 1 19 19 LEU CB C 19 44.670 44.670 44.543 0.127 19593 1719 1 20 . 1 1 19 19 LEU H H 19 7.818 7.818 7.893 -0.075 19593 1720 1 20 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.111 -0.133 19593 1721 1 20 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.309 1.892 19593 1722 1 20 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.724 -1.197 19593 1723 1 20 . 1 1 20 20 LYS H H 20 8.846 8.846 8.372 0.474 19593 1724 1 20 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.348 -0.070 19593 1725 1 20 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.673 -0.503 19593 1726 1 20 . 1 1 21 21 ILE CB C 21 37.157 37.157 38.685 -1.528 19593 1727 1 20 . 1 1 21 21 ILE H H 21 8.010 8.010 7.501 0.509 19593 1728 1 20 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.771 -0.884 19593 1729 1 20 . 1 1 22 22 GLY H H 22 8.695 8.695 8.499 0.196 19593 1730 1 20 . 1 1 23 23 TYR HA H 23 4.954 4.954 4.823 0.131 19593 1731 1 20 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.764 -4.983 19593 1732 1 20 . 1 1 23 23 TYR H H 23 8.502 8.502 7.814 0.688 19593 1733 1 20 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.689 0.017 19593 1734 1 20 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.672 -0.837 19593 1735 1 20 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.714 -0.991 19593 1736 1 20 . 1 1 24 24 GLU H H 24 9.253 9.253 9.145 0.108 19593 1737 1 20 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.120 0.647 19593 1738 1 20 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.879 -7.826 19593 1739 1 20 . 1 1 25 25 CYS CB C 25 38.286 38.286 26.459 11.827 19593 1740 1 20 . 1 1 25 25 CYS H H 25 8.838 8.838 8.876 -0.038 19593 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 0 0.000 0.000 0.000 19593 2 1 1 "Average Difference" HA 27 0.329 -0.181 0.280 19593 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19593 4 1 1 "Average Difference" CA 22 2.734 1.144 2.542 19593 5 1 1 "Average Difference" CB 20 4.465 -1.155 4.425 19593 6 1 1 "Average Difference" HN 24 0.549 -0.273 0.487 19593 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19593 8 1 2 "Average Difference" HA 27 0.328 -0.180 0.280 19593 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19593 10 1 2 "Average Difference" CA 22 2.598 1.110 2.405 19593 11 1 2 "Average Difference" CB 20 4.407 -1.282 4.326 19593 12 1 2 "Average Difference" HN 24 0.507 -0.260 0.445 19593 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19593 14 1 3 "Average Difference" HA 27 0.267 -0.141 0.231 19593 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19593 16 1 3 "Average Difference" CA 22 2.540 1.004 2.388 19593 17 1 3 "Average Difference" CB 20 4.334 -1.263 4.254 19593 18 1 3 "Average Difference" HN 24 0.565 -0.273 0.506 19593 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19593 20 1 4 "Average Difference" HA 27 0.293 -0.147 0.259 19593 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19593 22 1 4 "Average Difference" CA 22 2.639 1.155 2.429 19593 23 1 4 "Average Difference" CB 20 4.383 -1.296 4.296 19593 24 1 4 "Average Difference" HN 24 0.536 -0.318 0.442 19593 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19593 26 1 5 "Average Difference" HA 27 0.260 -0.121 0.234 19593 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19593 28 1 5 "Average Difference" CA 22 2.545 1.033 2.381 19593 29 1 5 "Average Difference" CB 20 4.300 -1.106 4.263 19593 30 1 5 "Average Difference" HN 24 0.508 -0.243 0.456 19593 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19593 32 1 6 "Average Difference" HA 27 0.273 -0.134 0.243 19593 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19593 34 1 6 "Average Difference" CA 22 2.508 1.025 2.343 19593 35 1 6 "Average Difference" CB 20 4.214 -1.290 4.116 19593 36 1 6 "Average Difference" HN 24 0.611 -0.314 0.536 19593 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19593 38 1 7 "Average Difference" HA 27 0.307 -0.164 0.265 19593 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19593 40 1 7 "Average Difference" CA 22 2.644 1.064 2.477 19593 41 1 7 "Average Difference" CB 20 4.514 -1.343 4.422 19593 42 1 7 "Average Difference" HN 24 0.536 -0.282 0.466 19593 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19593 44 1 8 "Average Difference" HA 27 0.307 -0.144 0.277 19593 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19593 46 1 8 "Average Difference" CA 22 2.478 1.055 2.296 19593 47 1 8 "Average Difference" CB 20 4.477 -1.289 4.398 19593 48 1 8 "Average Difference" HN 24 0.605 -0.298 0.538 19593 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19593 50 1 9 "Average Difference" HA 27 0.288 -0.145 0.254 19593 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19593 52 1 9 "Average Difference" CA 22 2.616 1.064 2.446 19593 53 1 9 "Average Difference" CB 20 4.486 -1.224 4.428 19593 54 1 9 "Average Difference" HN 24 0.552 -0.257 0.499 19593 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19593 56 1 10 "Average Difference" HA 27 0.321 -0.173 0.276 19593 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19593 58 1 10 "Average Difference" CA 22 2.691 1.278 2.424 19593 59 1 10 "Average Difference" CB 20 4.400 -1.226 4.335 19593 60 1 10 "Average Difference" HN 24 0.564 -0.264 0.509 19593 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19593 62 1 11 "Average Difference" HA 27 0.324 -0.178 0.276 19593 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19593 64 1 11 "Average Difference" CA 22 2.763 1.178 2.558 19593 65 1 11 "Average Difference" CB 20 4.431 -1.397 4.315 19593 66 1 11 "Average Difference" HN 24 0.612 -0.317 0.534 19593 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19593 68 1 12 "Average Difference" HA 27 0.316 -0.172 0.271 19593 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19593 70 1 12 "Average Difference" CA 22 2.599 1.198 2.360 19593 71 1 12 "Average Difference" CB 20 4.401 -1.294 4.316 19593 72 1 12 "Average Difference" HN 24 0.549 -0.241 0.504 19593 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19593 74 1 13 "Average Difference" HA 27 0.286 -0.130 0.260 19593 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19593 76 1 13 "Average Difference" CA 22 2.571 1.168 2.344 19593 77 1 13 "Average Difference" CB 20 4.162 -1.092 4.120 19593 78 1 13 "Average Difference" HN 24 0.584 -0.248 0.540 19593 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19593 80 1 14 "Average Difference" HA 27 0.336 -0.169 0.297 19593 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19593 82 1 14 "Average Difference" CA 22 2.619 1.107 2.429 19593 83 1 14 "Average Difference" CB 20 4.388 -1.336 4.288 19593 84 1 14 "Average Difference" HN 24 0.609 -0.288 0.548 19593 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19593 86 1 15 "Average Difference" HA 27 0.376 -0.184 0.335 19593 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19593 88 1 15 "Average Difference" CA 22 2.632 1.135 2.430 19593 89 1 15 "Average Difference" CB 20 4.490 -1.423 4.369 19593 90 1 15 "Average Difference" HN 24 0.586 -0.268 0.532 19593 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19593 92 1 16 "Average Difference" HA 27 0.267 -0.116 0.246 19593 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19593 94 1 16 "Average Difference" CA 22 2.554 0.988 2.411 19593 95 1 16 "Average Difference" CB 20 4.156 -1.286 4.055 19593 96 1 16 "Average Difference" HN 24 0.581 -0.288 0.516 19593 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19593 98 1 17 "Average Difference" HA 27 0.308 -0.141 0.279 19593 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19593 100 1 17 "Average Difference" CA 22 2.472 1.033 2.298 19593 101 1 17 "Average Difference" CB 20 4.344 -1.219 4.277 19593 102 1 17 "Average Difference" HN 24 0.504 -0.251 0.446 19593 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19593 104 1 18 "Average Difference" HA 27 0.314 -0.175 0.266 19593 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19593 106 1 18 "Average Difference" CA 22 2.499 1.128 2.283 19593 107 1 18 "Average Difference" CB 20 4.120 -1.391 3.979 19593 108 1 18 "Average Difference" HN 24 0.552 -0.279 0.487 19593 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19593 110 1 19 "Average Difference" HA 27 0.292 -0.160 0.248 19593 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19593 112 1 19 "Average Difference" CA 22 2.522 1.131 2.307 19593 113 1 19 "Average Difference" CB 20 4.048 -1.366 3.910 19593 114 1 19 "Average Difference" HN 24 0.613 -0.272 0.561 19593 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19593 116 1 20 "Average Difference" HA 27 0.314 -0.163 0.274 19593 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19593 118 1 20 "Average Difference" CA 22 2.890 1.185 2.698 19593 119 1 20 "Average Difference" CB 20 4.652 -1.288 4.586 19593 120 1 20 "Average Difference" HN 24 0.544 -0.179 0.525 19593 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 19593 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 THR HA H 2 4.405 4.405 4.320 0.085 19593 2 1 . 1 1 2 2 THR CA C 2 61.495 61.495 62.053 -0.558 19593 3 1 . 1 1 2 2 THR CB C 2 70.521 70.521 69.295 1.226 19593 4 1 . 1 1 2 2 THR H H 2 8.575 8.575 8.323 0.252 19593 5 1 . 1 1 3 3 ASN HA H 3 5.262 5.262 5.113 0.149 19593 6 1 . 1 1 3 3 ASN CA C 3 50.550 50.550 52.262 -1.713 19593 7 1 . 1 1 3 3 ASN CB C 3 37.177 37.177 39.076 -1.899 19593 8 1 . 1 1 3 3 ASN H H 3 9.143 9.143 8.514 0.629 19593 9 1 . 1 1 4 4 GLU HA H 4 3.683 3.683 4.085 -0.402 19593 10 1 . 1 1 4 4 GLU CA C 4 60.432 60.432 58.826 1.606 19593 11 1 . 1 1 4 4 GLU CB C 4 27.878 27.878 29.231 -1.353 19593 12 1 . 1 1 4 4 GLU H H 4 9.480 9.480 8.527 0.953 19593 13 1 . 1 1 5 5 CYS HA H 5 4.106 4.106 4.229 -0.123 19593 14 1 . 1 1 5 5 CYS CA C 5 53.331 53.331 61.322 -7.991 19593 15 1 . 1 1 5 5 CYS CB C 5 36.002 36.002 25.792 10.210 19593 16 1 . 1 1 5 5 CYS H H 5 7.960 7.960 8.071 -0.111 19593 17 1 . 1 1 6 6 LEU HA H 6 4.118 4.118 4.118 0.000 19593 18 1 . 1 1 6 6 LEU CA C 6 55.703 55.703 56.702 -0.999 19593 19 1 . 1 1 6 6 LEU CB C 6 41.047 41.047 41.888 -0.841 19593 20 1 . 1 1 6 6 LEU H H 6 7.048 7.048 7.789 -0.741 19593 21 1 . 1 1 7 7 ASP HA H 7 4.808 4.808 4.655 0.153 19593 22 1 . 1 1 7 7 ASP CA C 7 52.216 52.216 53.355 -1.139 19593 23 1 . 1 1 7 7 ASP CB C 7 40.633 40.633 41.072 -0.438 19593 24 1 . 1 1 7 7 ASP H H 7 7.126 7.126 7.558 -0.432 19593 25 1 . 1 1 8 8 ASN HA H 8 4.355 4.355 4.259 0.096 19593 26 1 . 1 1 8 8 ASN CA C 8 53.784 53.784 54.075 -0.291 19593 27 1 . 1 1 8 8 ASN H H 8 9.264 9.264 8.933 0.331 19593 28 1 . 1 1 9 9 ASN HA H 9 4.782 4.782 4.487 0.295 19593 29 1 . 1 1 9 9 ASN CA C 9 54.201 54.201 54.092 0.109 19593 30 1 . 1 1 9 9 ASN CB C 9 40.118 40.118 37.771 2.347 19593 31 1 . 1 1 9 9 ASN H H 9 8.813 8.813 8.423 0.390 19593 32 1 . 1 1 10 10 GLY CA C 10 45.633 45.633 45.443 0.190 19593 33 1 . 1 1 10 10 GLY H H 10 7.911 7.911 8.286 -0.375 19593 34 1 . 1 1 11 11 GLY CA C 11 44.781 44.781 45.082 -0.301 19593 35 1 . 1 1 11 11 GLY H H 11 8.404 8.404 7.867 0.537 19593 36 1 . 1 1 12 12 CYS HA H 12 4.842 4.842 4.671 0.171 19593 37 1 . 1 1 12 12 CYS CA C 12 56.269 56.269 58.276 -2.007 19593 38 1 . 1 1 12 12 CYS CB C 12 33.663 33.663 28.525 5.138 19593 39 1 . 1 1 12 12 CYS H H 12 8.208 8.208 7.782 0.426 19593 40 1 . 1 1 13 13 SER HA H 13 4.176 4.176 4.346 -0.170 19593 41 1 . 1 1 13 13 SER CA C 13 60.590 60.590 59.796 0.794 19593 42 1 . 1 1 13 13 SER CB C 13 62.505 62.505 63.535 -1.030 19593 43 1 . 1 1 13 13 SER H H 13 9.300 9.300 8.671 0.629 19593 44 1 . 1 1 14 14 HIS HA H 14 4.914 4.914 4.732 0.182 19593 45 1 . 1 1 14 14 HIS CA C 14 52.075 52.075 54.995 -2.920 19593 46 1 . 1 1 14 14 HIS CB C 14 29.945 29.945 31.201 -1.256 19593 47 1 . 1 1 14 14 HIS H H 14 8.991 8.991 7.567 1.424 19593 48 1 . 1 1 15 15 VAL HA H 15 4.239 4.239 3.951 0.288 19593 49 1 . 1 1 15 15 VAL CA C 15 62.506 62.506 63.430 -0.924 19593 50 1 . 1 1 15 15 VAL CB C 15 33.468 33.468 31.861 1.607 19593 51 1 . 1 1 15 15 VAL H H 15 7.841 7.841 8.421 -0.580 19593 52 1 . 1 1 16 16 CYS HA H 16 5.382 5.382 4.968 0.414 19593 53 1 . 1 1 16 16 CYS CA C 16 55.676 55.676 57.842 -2.166 19593 54 1 . 1 1 16 16 CYS CB C 16 38.073 38.073 28.867 9.206 19593 55 1 . 1 1 16 16 CYS H H 16 9.134 9.134 8.772 0.362 19593 56 1 . 1 1 17 17 ASN HA H 17 5.213 5.213 4.938 0.275 19593 57 1 . 1 1 17 17 ASN CA C 17 51.736 51.736 52.427 -0.691 19593 58 1 . 1 1 17 17 ASN CB C 17 40.682 40.682 41.564 -0.882 19593 59 1 . 1 1 17 17 ASN H H 17 9.784 9.784 9.308 0.476 19593 60 1 . 1 1 18 18 ASP HA H 18 4.675 4.675 4.721 -0.046 19593 61 1 . 1 1 18 18 ASP CA C 18 55.439 55.439 54.419 1.020 19593 62 1 . 1 1 18 18 ASP CB C 18 40.946 40.946 41.133 -0.187 19593 63 1 . 1 1 18 18 ASP H H 18 8.954 8.954 8.560 0.394 19593 64 1 . 1 1 19 19 LEU HA H 19 4.792 4.792 4.545 0.247 19593 65 1 . 1 1 19 19 LEU CB C 19 44.670 44.670 43.932 0.738 19593 66 1 . 1 1 19 19 LEU H H 19 7.818 7.818 7.879 -0.061 19593 67 1 . 1 1 20 20 LYS HA H 20 3.978 3.978 4.110 -0.132 19593 68 1 . 1 1 20 20 LYS CA C 20 60.201 60.201 58.221 1.980 19593 69 1 . 1 1 20 20 LYS CB C 20 31.527 31.527 32.584 -1.057 19593 70 1 . 1 1 20 20 LYS H H 20 8.846 8.846 8.366 0.480 19593 71 1 . 1 1 21 21 ILE HA H 21 4.278 4.278 4.257 0.021 19593 72 1 . 1 1 21 21 ILE CA C 21 60.170 60.170 60.375 -0.205 19593 73 1 . 1 1 21 21 ILE CB C 21 37.157 37.157 37.869 -0.712 19593 74 1 . 1 1 21 21 ILE H H 21 8.010 8.010 7.607 0.403 19593 75 1 . 1 1 22 22 GLY CA C 22 44.887 44.887 45.322 -0.435 19593 76 1 . 1 1 22 22 GLY H H 22 8.695 8.695 8.384 0.311 19593 77 1 . 1 1 23 23 TYR HA H 23 4.954 4.954 5.108 -0.154 19593 78 1 . 1 1 23 23 TYR CB C 23 35.781 35.781 40.789 -5.008 19593 79 1 . 1 1 23 23 TYR H H 23 8.502 8.502 7.981 0.521 19593 80 1 . 1 1 24 24 GLU HA H 24 4.706 4.706 4.597 0.109 19593 81 1 . 1 1 24 24 GLU CA C 24 53.835 53.835 54.488 -0.653 19593 82 1 . 1 1 24 24 GLU CB C 24 32.723 32.723 33.577 -0.854 19593 83 1 . 1 1 24 24 GLU H H 24 9.253 9.253 8.984 0.269 19593 84 1 . 1 1 25 25 CYS HA H 25 5.767 5.767 5.277 0.490 19593 85 1 . 1 1 25 25 CYS CA C 25 51.053 51.053 58.163 -7.110 19593 86 1 . 1 1 25 25 CYS CB C 25 38.286 38.286 27.675 10.611 19593 87 1 . 1 1 25 25 CYS H H 25 8.838 8.838 8.830 0.008 19593 stop_ save_