data_18938 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18938 _Entry.PDB_ID 2M2Y 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 18938 _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 CYS HA H 2 5.160 5.160 4.653 0.507 18938 2 1 1 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.874 -1.662 18938 3 1 1 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.939 14.916 18938 4 1 1 . 1 1 2 2 CYS H H 2 9.120 9.120 8.442 0.678 18938 5 1 1 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.341 -0.071 18938 6 1 1 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.692 0.236 18938 7 1 1 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.225 0.627 18938 8 1 1 . 1 1 3 3 VAL H H 3 8.641 8.641 9.144 -0.503 18938 9 1 1 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.378 0.002 18938 10 1 1 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.666 -2.363 18938 11 1 1 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.576 17.726 18938 12 1 1 . 1 1 4 4 CYS H H 4 8.982 8.982 9.029 -0.047 18938 13 1 1 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.540 -0.057 18938 14 1 1 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.072 0.745 18938 15 1 1 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.297 1.022 18938 16 1 1 . 1 1 5 5 ARG H H 5 8.689 8.689 8.942 -0.253 18938 17 1 1 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.009 0.012 18938 18 1 1 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.917 -0.112 18938 19 1 1 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.573 0.239 18938 20 1 1 . 1 1 6 6 ARG H H 6 9.216 9.216 9.333 -0.117 18938 21 1 1 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.882 0.315 18938 22 1 1 . 1 1 7 7 GLY H H 7 8.645 8.645 8.501 0.144 18938 23 1 1 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.147 0.068 18938 24 1 1 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.638 -0.494 18938 25 1 1 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.189 1.845 18938 26 1 1 . 1 1 8 8 VAL H H 8 7.899 7.899 7.522 0.377 18938 27 1 1 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.256 -0.002 18938 28 1 1 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.021 -2.966 18938 29 1 1 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.892 18.087 18938 30 1 1 . 1 1 9 9 CYS H H 9 8.983 8.983 8.767 0.216 18938 31 1 1 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.761 -0.126 18938 32 1 1 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.190 0.924 18938 33 1 1 . 1 1 10 10 ARG CB C 10 31.660 31.660 34.206 -2.546 18938 34 1 1 . 1 1 10 10 ARG H H 10 8.755 8.755 9.212 -0.457 18938 35 1 1 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.613 0.544 18938 36 1 1 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.505 -3.202 18938 37 1 1 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.603 18.068 18938 38 1 1 . 1 1 11 11 CYS H H 11 8.882 8.882 8.889 -0.007 18938 39 1 1 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.209 -0.003 18938 40 1 1 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.453 0.691 18938 41 1 1 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.041 3.295 18938 42 1 1 . 1 1 12 12 VAL H H 12 8.356 8.356 8.723 -0.367 18938 43 1 1 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.707 0.227 18938 44 1 1 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.000 -2.490 18938 45 1 1 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.978 15.733 18938 46 1 1 . 1 1 13 13 CYS H H 13 8.747 8.747 8.395 0.352 18938 47 1 1 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.397 -0.062 18938 48 1 1 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.044 1.696 18938 49 1 1 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.708 1.280 18938 50 1 1 . 1 1 14 14 ARG H H 14 8.681 8.681 8.895 -0.214 18938 51 1 1 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.008 0.125 18938 52 1 1 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.791 -0.093 18938 53 1 1 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.105 1.453 18938 54 1 1 . 1 1 15 15 ARG H H 15 8.754 8.754 8.884 -0.130 18938 55 1 1 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.757 0.569 18938 56 1 1 . 1 1 16 16 GLY H H 16 8.435 8.435 8.704 -0.269 18938 57 1 1 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.263 -0.077 18938 58 1 1 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.222 1.223 18938 59 1 1 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.603 3.271 18938 60 1 1 . 1 1 17 17 VAL H H 17 7.879 7.879 7.749 0.130 18938 61 1 2 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.097 0.063 18938 62 1 2 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.918 -1.706 18938 63 1 2 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.085 16.770 18938 64 1 2 . 1 1 2 2 CYS H H 2 9.120 9.120 8.658 0.462 18938 65 1 2 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.394 -0.124 18938 66 1 2 . 1 1 3 3 VAL CA C 3 61.928 61.928 60.986 0.942 18938 67 1 2 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.660 0.192 18938 68 1 2 . 1 1 3 3 VAL H H 3 8.641 8.641 9.222 -0.581 18938 69 1 2 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.502 -0.122 18938 70 1 2 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.708 -2.405 18938 71 1 2 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.158 18.144 18938 72 1 2 . 1 1 4 4 CYS H H 4 8.982 8.982 8.888 0.094 18938 73 1 2 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.546 -0.063 18938 74 1 2 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.584 0.232 18938 75 1 2 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.976 -0.657 18938 76 1 2 . 1 1 5 5 ARG H H 5 8.689 8.689 9.106 -0.417 18938 77 1 2 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.035 -0.014 18938 78 1 2 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.301 -0.495 18938 79 1 2 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.798 0.014 18938 80 1 2 . 1 1 6 6 ARG H H 6 9.216 9.216 9.275 -0.059 18938 81 1 2 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.837 0.360 18938 82 1 2 . 1 1 7 7 GLY H H 7 8.645 8.645 8.217 0.428 18938 83 1 2 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.468 -0.253 18938 84 1 2 . 1 1 8 8 VAL CA C 8 62.144 62.144 60.454 1.690 18938 85 1 2 . 1 1 8 8 VAL CB C 8 33.034 33.034 34.610 -1.576 18938 86 1 2 . 1 1 8 8 VAL H H 8 7.899 7.899 7.718 0.181 18938 87 1 2 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.300 -0.046 18938 88 1 2 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.101 -3.046 18938 89 1 2 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.134 17.844 18938 90 1 2 . 1 1 9 9 CYS H H 9 8.983 8.983 8.795 0.188 18938 91 1 2 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.727 -0.092 18938 92 1 2 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.331 1.783 18938 93 1 2 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.366 -0.706 18938 94 1 2 . 1 1 10 10 ARG H H 10 8.755 8.755 9.188 -0.433 18938 95 1 2 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.958 0.199 18938 96 1 2 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.781 -3.478 18938 97 1 2 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.663 18.008 18938 98 1 2 . 1 1 11 11 CYS H H 11 8.882 8.882 9.004 -0.122 18938 99 1 2 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.215 -0.009 18938 100 1 2 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.228 -0.084 18938 101 1 2 . 1 1 12 12 VAL CB C 12 33.336 33.336 32.273 1.063 18938 102 1 2 . 1 1 12 12 VAL H H 12 8.356 8.356 8.975 -0.619 18938 103 1 2 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.895 0.039 18938 104 1 2 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.480 -1.970 18938 105 1 2 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.691 14.020 18938 106 1 2 . 1 1 13 13 CYS H H 13 8.747 8.747 8.693 0.054 18938 107 1 2 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.500 -0.165 18938 108 1 2 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.848 1.893 18938 109 1 2 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.404 0.584 18938 110 1 2 . 1 1 14 14 ARG H H 14 8.681 8.681 8.445 0.236 18938 111 1 2 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.970 0.163 18938 112 1 2 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.583 0.115 18938 113 1 2 . 1 1 15 15 ARG CB C 15 29.558 29.558 27.941 1.617 18938 114 1 2 . 1 1 15 15 ARG H H 15 8.754 8.754 9.199 -0.445 18938 115 1 2 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.744 0.582 18938 116 1 2 . 1 1 16 16 GLY H H 16 8.435 8.435 8.167 0.268 18938 117 1 2 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.193 -0.007 18938 118 1 2 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.919 0.526 18938 119 1 2 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.149 3.725 18938 120 1 2 . 1 1 17 17 VAL H H 17 7.879 7.879 7.905 -0.026 18938 121 1 3 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.070 0.090 18938 122 1 3 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.165 -1.953 18938 123 1 3 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.988 16.867 18938 124 1 3 . 1 1 2 2 CYS H H 2 9.120 9.120 8.787 0.333 18938 125 1 3 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.429 -0.159 18938 126 1 3 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.038 0.890 18938 127 1 3 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.143 -0.291 18938 128 1 3 . 1 1 3 3 VAL H H 3 8.641 8.641 9.271 -0.630 18938 129 1 3 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.376 0.004 18938 130 1 3 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.900 -2.597 18938 131 1 3 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.213 18.089 18938 132 1 3 . 1 1 4 4 CYS H H 4 8.982 8.982 9.025 -0.043 18938 133 1 3 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.540 -0.057 18938 134 1 3 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.203 0.613 18938 135 1 3 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.392 -0.073 18938 136 1 3 . 1 1 5 5 ARG H H 5 8.689 8.689 9.118 -0.429 18938 137 1 3 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.025 -0.004 18938 138 1 3 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.748 0.058 18938 139 1 3 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.948 -0.136 18938 140 1 3 . 1 1 6 6 ARG H H 6 9.216 9.216 9.308 -0.092 18938 141 1 3 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.918 0.279 18938 142 1 3 . 1 1 7 7 GLY H H 7 8.645 8.645 8.214 0.431 18938 143 1 3 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.199 0.016 18938 144 1 3 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.688 0.456 18938 145 1 3 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.399 1.635 18938 146 1 3 . 1 1 8 8 VAL H H 8 7.899 7.899 7.666 0.233 18938 147 1 3 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.243 0.011 18938 148 1 3 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.219 -3.164 18938 149 1 3 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.781 17.197 18938 150 1 3 . 1 1 9 9 CYS H H 9 8.983 8.983 8.961 0.022 18938 151 1 3 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.762 -0.127 18938 152 1 3 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.499 1.615 18938 153 1 3 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.318 -0.658 18938 154 1 3 . 1 1 10 10 ARG H H 10 8.755 8.755 9.173 -0.418 18938 155 1 3 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.548 -0.391 18938 156 1 3 . 1 1 11 11 CYS CA C 11 55.303 55.303 56.888 -1.585 18938 157 1 3 . 1 1 11 11 CYS CB C 11 44.671 44.671 30.206 14.465 18938 158 1 3 . 1 1 11 11 CYS H H 11 8.882 8.882 8.773 0.109 18938 159 1 3 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.515 -0.309 18938 160 1 3 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.491 0.653 18938 161 1 3 . 1 1 12 12 VAL CB C 12 33.336 33.336 34.527 -1.191 18938 162 1 3 . 1 1 12 12 VAL H H 12 8.356 8.356 8.730 -0.374 18938 163 1 3 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.646 0.288 18938 164 1 3 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.446 -1.936 18938 165 1 3 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.974 15.736 18938 166 1 3 . 1 1 13 13 CYS H H 13 8.747 8.747 8.434 0.313 18938 167 1 3 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.510 -0.175 18938 168 1 3 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.425 2.316 18938 169 1 3 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.904 1.084 18938 170 1 3 . 1 1 14 14 ARG H H 14 8.681 8.681 8.376 0.305 18938 171 1 3 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.887 0.246 18938 172 1 3 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.166 0.532 18938 173 1 3 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.126 1.432 18938 174 1 3 . 1 1 15 15 ARG H H 15 8.754 8.754 9.136 -0.382 18938 175 1 3 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.695 0.631 18938 176 1 3 . 1 1 16 16 GLY H H 16 8.435 8.435 8.233 0.202 18938 177 1 3 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.357 -0.171 18938 178 1 3 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.441 1.004 18938 179 1 3 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.525 1.349 18938 180 1 3 . 1 1 17 17 VAL H H 17 7.879 7.879 7.643 0.236 18938 181 1 4 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.642 0.518 18938 182 1 4 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.474 -2.262 18938 183 1 4 . 1 1 2 2 CYS CB C 2 44.855 44.855 26.918 17.937 18938 184 1 4 . 1 1 2 2 CYS H H 2 9.120 9.120 8.657 0.463 18938 185 1 4 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.551 -0.281 18938 186 1 4 . 1 1 3 3 VAL CA C 3 61.928 61.928 60.679 1.249 18938 187 1 4 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.786 -0.934 18938 188 1 4 . 1 1 3 3 VAL H H 3 8.641 8.641 9.135 -0.494 18938 189 1 4 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.385 -0.005 18938 190 1 4 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.660 -2.357 18938 191 1 4 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.588 17.714 18938 192 1 4 . 1 1 4 4 CYS H H 4 8.982 8.982 8.959 0.023 18938 193 1 4 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.605 -0.122 18938 194 1 4 . 1 1 5 5 ARG CA C 5 55.816 55.816 54.662 1.154 18938 195 1 4 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.199 1.120 18938 196 1 4 . 1 1 5 5 ARG H H 5 8.689 8.689 9.133 -0.444 18938 197 1 4 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.011 0.010 18938 198 1 4 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.922 -0.116 18938 199 1 4 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.523 0.289 18938 200 1 4 . 1 1 6 6 ARG H H 6 9.216 9.216 9.380 -0.164 18938 201 1 4 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.811 0.386 18938 202 1 4 . 1 1 7 7 GLY H H 7 8.645 8.645 8.426 0.219 18938 203 1 4 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.064 0.151 18938 204 1 4 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.188 -0.044 18938 205 1 4 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.662 1.372 18938 206 1 4 . 1 1 8 8 VAL H H 8 7.899 7.899 7.610 0.289 18938 207 1 4 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.035 0.219 18938 208 1 4 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.536 -3.481 18938 209 1 4 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.350 18.628 18938 210 1 4 . 1 1 9 9 CYS H H 9 8.983 8.983 8.809 0.174 18938 211 1 4 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.741 -0.106 18938 212 1 4 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.509 1.605 18938 213 1 4 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.527 -0.867 18938 214 1 4 . 1 1 10 10 ARG H H 10 8.755 8.755 9.201 -0.446 18938 215 1 4 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.767 0.390 18938 216 1 4 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.156 -2.853 18938 217 1 4 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.081 15.590 18938 218 1 4 . 1 1 11 11 CYS H H 11 8.882 8.882 8.824 0.058 18938 219 1 4 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.435 -0.229 18938 220 1 4 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.601 0.543 18938 221 1 4 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.962 -0.627 18938 222 1 4 . 1 1 12 12 VAL H H 12 8.356 8.356 8.256 0.100 18938 223 1 4 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.152 -0.218 18938 224 1 4 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.977 -2.467 18938 225 1 4 . 1 1 13 13 CYS CB C 13 44.711 44.711 27.856 16.855 18938 226 1 4 . 1 1 13 13 CYS H H 13 8.747 8.747 8.491 0.256 18938 227 1 4 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.530 -0.195 18938 228 1 4 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.698 2.043 18938 229 1 4 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.329 0.659 18938 230 1 4 . 1 1 14 14 ARG H H 14 8.681 8.681 9.087 -0.406 18938 231 1 4 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.980 0.153 18938 232 1 4 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.337 -0.638 18938 233 1 4 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.694 0.864 18938 234 1 4 . 1 1 15 15 ARG H H 15 8.754 8.754 9.099 -0.345 18938 235 1 4 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.815 0.511 18938 236 1 4 . 1 1 16 16 GLY H H 16 8.435 8.435 8.826 -0.391 18938 237 1 4 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.333 -0.147 18938 238 1 4 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.765 0.680 18938 239 1 4 . 1 1 17 17 VAL CB C 17 32.874 32.874 30.691 2.183 18938 240 1 4 . 1 1 17 17 VAL H H 17 7.879 7.879 7.580 0.299 18938 241 1 5 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.683 0.477 18938 242 1 5 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.159 -1.947 18938 243 1 5 . 1 1 2 2 CYS CB C 2 44.855 44.855 30.810 14.045 18938 244 1 5 . 1 1 2 2 CYS H H 2 9.120 9.120 8.343 0.777 18938 245 1 5 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.411 -0.141 18938 246 1 5 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.470 0.458 18938 247 1 5 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.480 0.372 18938 248 1 5 . 1 1 3 3 VAL H H 3 8.641 8.641 8.721 -0.080 18938 249 1 5 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.361 0.019 18938 250 1 5 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.641 -2.338 18938 251 1 5 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.668 18.634 18938 252 1 5 . 1 1 4 4 CYS H H 4 8.982 8.982 9.106 -0.124 18938 253 1 5 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.571 -0.088 18938 254 1 5 . 1 1 5 5 ARG CA C 5 55.816 55.816 54.931 0.885 18938 255 1 5 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.616 0.703 18938 256 1 5 . 1 1 5 5 ARG H H 5 8.689 8.689 9.013 -0.324 18938 257 1 5 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.000 0.021 18938 258 1 5 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.138 -0.332 18938 259 1 5 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.825 -0.013 18938 260 1 5 . 1 1 6 6 ARG H H 6 9.216 9.216 9.388 -0.172 18938 261 1 5 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.735 0.462 18938 262 1 5 . 1 1 7 7 GLY H H 7 8.645 8.645 8.336 0.309 18938 263 1 5 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.164 0.051 18938 264 1 5 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.622 -0.478 18938 265 1 5 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.454 1.579 18938 266 1 5 . 1 1 8 8 VAL H H 8 7.899 7.899 7.601 0.298 18938 267 1 5 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.145 0.109 18938 268 1 5 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.156 -3.101 18938 269 1 5 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.650 18.328 18938 270 1 5 . 1 1 9 9 CYS H H 9 8.983 8.983 8.928 0.055 18938 271 1 5 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.718 -0.083 18938 272 1 5 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.983 1.131 18938 273 1 5 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.269 -0.609 18938 274 1 5 . 1 1 10 10 ARG H H 10 8.755 8.755 9.198 -0.443 18938 275 1 5 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.545 0.612 18938 276 1 5 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.657 -3.354 18938 277 1 5 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.326 17.345 18938 278 1 5 . 1 1 11 11 CYS H H 11 8.882 8.882 9.067 -0.185 18938 279 1 5 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.120 0.086 18938 280 1 5 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.480 -0.336 18938 281 1 5 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.306 2.030 18938 282 1 5 . 1 1 12 12 VAL H H 12 8.356 8.356 8.181 0.175 18938 283 1 5 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.044 -0.110 18938 284 1 5 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.526 -2.016 18938 285 1 5 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.474 15.237 18938 286 1 5 . 1 1 13 13 CYS H H 13 8.747 8.747 7.851 0.896 18938 287 1 5 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.501 -0.166 18938 288 1 5 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.928 2.813 18938 289 1 5 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.810 0.178 18938 290 1 5 . 1 1 14 14 ARG H H 14 8.681 8.681 8.480 0.201 18938 291 1 5 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.990 0.143 18938 292 1 5 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.037 -0.339 18938 293 1 5 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.769 0.789 18938 294 1 5 . 1 1 15 15 ARG H H 15 8.754 8.754 9.386 -0.632 18938 295 1 5 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.022 0.304 18938 296 1 5 . 1 1 16 16 GLY H H 16 8.435 8.435 8.701 -0.266 18938 297 1 5 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.093 0.093 18938 298 1 5 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.138 0.307 18938 299 1 5 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.189 3.685 18938 300 1 5 . 1 1 17 17 VAL H H 17 7.879 7.879 7.698 0.181 18938 301 1 6 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.091 0.069 18938 302 1 6 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.311 -2.099 18938 303 1 6 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.311 17.544 18938 304 1 6 . 1 1 2 2 CYS H H 2 9.120 9.120 8.576 0.544 18938 305 1 6 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.422 -0.152 18938 306 1 6 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.254 0.674 18938 307 1 6 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.543 -1.691 18938 308 1 6 . 1 1 3 3 VAL H H 3 8.641 8.641 9.178 -0.537 18938 309 1 6 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.670 -0.290 18938 310 1 6 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.786 -2.483 18938 311 1 6 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.095 17.207 18938 312 1 6 . 1 1 4 4 CYS H H 4 8.982 8.982 8.841 0.141 18938 313 1 6 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.527 -0.044 18938 314 1 6 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.854 -0.038 18938 315 1 6 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.785 -0.466 18938 316 1 6 . 1 1 5 5 ARG H H 5 8.689 8.689 9.201 -0.512 18938 317 1 6 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.037 -0.016 18938 318 1 6 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.931 -0.125 18938 319 1 6 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.779 0.033 18938 320 1 6 . 1 1 6 6 ARG H H 6 9.216 9.216 9.372 -0.156 18938 321 1 6 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.810 0.387 18938 322 1 6 . 1 1 7 7 GLY H H 7 8.645 8.645 8.420 0.225 18938 323 1 6 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.227 -0.012 18938 324 1 6 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.451 -0.307 18938 325 1 6 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.208 0.827 18938 326 1 6 . 1 1 8 8 VAL H H 8 7.899 7.899 7.579 0.320 18938 327 1 6 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.320 -0.066 18938 328 1 6 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.104 -3.049 18938 329 1 6 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.993 17.985 18938 330 1 6 . 1 1 9 9 CYS H H 9 8.983 8.983 9.068 -0.085 18938 331 1 6 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.752 -0.117 18938 332 1 6 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.289 0.825 18938 333 1 6 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.681 -2.021 18938 334 1 6 . 1 1 10 10 ARG H H 10 8.755 8.755 9.302 -0.547 18938 335 1 6 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.333 -0.176 18938 336 1 6 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.381 -2.078 18938 337 1 6 . 1 1 11 11 CYS CB C 11 44.671 44.671 28.111 16.560 18938 338 1 6 . 1 1 11 11 CYS H H 11 8.882 8.882 8.993 -0.111 18938 339 1 6 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.278 -0.072 18938 340 1 6 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.906 0.238 18938 341 1 6 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.086 0.250 18938 342 1 6 . 1 1 12 12 VAL H H 12 8.356 8.356 8.568 -0.212 18938 343 1 6 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.248 -0.314 18938 344 1 6 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.535 -2.025 18938 345 1 6 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.806 13.905 18938 346 1 6 . 1 1 13 13 CYS H H 13 8.747 8.747 8.602 0.145 18938 347 1 6 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.652 -0.317 18938 348 1 6 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.634 3.107 18938 349 1 6 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.455 -1.467 18938 350 1 6 . 1 1 14 14 ARG H H 14 8.681 8.681 8.959 -0.278 18938 351 1 6 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.226 -0.093 18938 352 1 6 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.725 -0.027 18938 353 1 6 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.599 0.959 18938 354 1 6 . 1 1 15 15 ARG H H 15 8.754 8.754 8.671 0.083 18938 355 1 6 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.483 -0.156 18938 356 1 6 . 1 1 16 16 GLY H H 16 8.435 8.435 8.594 -0.159 18938 357 1 6 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.431 -0.245 18938 358 1 6 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.049 0.396 18938 359 1 6 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.664 0.210 18938 360 1 6 . 1 1 17 17 VAL H H 17 7.879 7.879 7.733 0.146 18938 361 1 7 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.814 0.346 18938 362 1 7 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.925 -1.713 18938 363 1 7 . 1 1 2 2 CYS CB C 2 44.855 44.855 30.416 14.439 18938 364 1 7 . 1 1 2 2 CYS H H 2 9.120 9.120 8.561 0.559 18938 365 1 7 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.428 -0.158 18938 366 1 7 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.678 0.250 18938 367 1 7 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.243 0.609 18938 368 1 7 . 1 1 3 3 VAL H H 3 8.641 8.641 8.610 0.031 18938 369 1 7 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.561 -0.181 18938 370 1 7 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.579 -2.276 18938 371 1 7 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.526 16.776 18938 372 1 7 . 1 1 4 4 CYS H H 4 8.982 8.982 8.979 0.003 18938 373 1 7 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.495 -0.012 18938 374 1 7 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.639 0.177 18938 375 1 7 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.035 0.284 18938 376 1 7 . 1 1 5 5 ARG H H 5 8.689 8.689 9.135 -0.446 18938 377 1 7 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.025 -0.004 18938 378 1 7 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.199 0.607 18938 379 1 7 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.222 0.590 18938 380 1 7 . 1 1 6 6 ARG H H 6 9.216 9.216 9.329 -0.113 18938 381 1 7 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.936 0.261 18938 382 1 7 . 1 1 7 7 GLY H H 7 8.645 8.645 8.631 0.014 18938 383 1 7 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.170 0.045 18938 384 1 7 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.660 -0.516 18938 385 1 7 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.229 1.805 18938 386 1 7 . 1 1 8 8 VAL H H 8 7.899 7.899 7.531 0.368 18938 387 1 7 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.490 -0.236 18938 388 1 7 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.623 -2.568 18938 389 1 7 . 1 1 9 9 CYS CB C 9 44.978 44.978 29.096 15.882 18938 390 1 7 . 1 1 9 9 CYS H H 9 8.983 8.983 8.709 0.274 18938 391 1 7 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.727 -0.092 18938 392 1 7 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.545 0.569 18938 393 1 7 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.236 -0.576 18938 394 1 7 . 1 1 10 10 ARG H H 10 8.755 8.755 9.186 -0.431 18938 395 1 7 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.556 0.601 18938 396 1 7 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.590 -3.287 18938 397 1 7 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.155 17.516 18938 398 1 7 . 1 1 11 11 CYS H H 11 8.882 8.882 8.808 0.074 18938 399 1 7 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.615 -0.409 18938 400 1 7 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.004 1.140 18938 401 1 7 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.611 -0.275 18938 402 1 7 . 1 1 12 12 VAL H H 12 8.356 8.356 8.221 0.135 18938 403 1 7 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.922 0.012 18938 404 1 7 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.588 -2.078 18938 405 1 7 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.502 15.209 18938 406 1 7 . 1 1 13 13 CYS H H 13 8.747 8.747 8.670 0.077 18938 407 1 7 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.530 -0.195 18938 408 1 7 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.691 1.050 18938 409 1 7 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.912 0.076 18938 410 1 7 . 1 1 14 14 ARG H H 14 8.681 8.681 8.776 -0.095 18938 411 1 7 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.900 0.233 18938 412 1 7 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.321 -0.623 18938 413 1 7 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.285 1.273 18938 414 1 7 . 1 1 15 15 ARG H H 15 8.754 8.754 9.123 -0.369 18938 415 1 7 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.812 0.514 18938 416 1 7 . 1 1 16 16 GLY H H 16 8.435 8.435 8.425 0.010 18938 417 1 7 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.247 -0.061 18938 418 1 7 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.660 0.785 18938 419 1 7 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.296 3.578 18938 420 1 7 . 1 1 17 17 VAL H H 17 7.879 7.879 7.773 0.106 18938 421 1 8 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.914 0.246 18938 422 1 8 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.146 -1.934 18938 423 1 8 . 1 1 2 2 CYS CB C 2 44.855 44.855 26.676 18.179 18938 424 1 8 . 1 1 2 2 CYS H H 2 9.120 9.120 8.552 0.568 18938 425 1 8 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.442 -0.172 18938 426 1 8 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.327 0.601 18938 427 1 8 . 1 1 3 3 VAL CB C 3 33.852 33.852 36.034 -2.182 18938 428 1 8 . 1 1 3 3 VAL H H 3 8.641 8.641 9.027 -0.386 18938 429 1 8 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.626 -0.246 18938 430 1 8 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.602 -2.299 18938 431 1 8 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.838 17.464 18938 432 1 8 . 1 1 4 4 CYS H H 4 8.982 8.982 8.835 0.147 18938 433 1 8 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.505 -0.022 18938 434 1 8 . 1 1 5 5 ARG CA C 5 55.816 55.816 56.057 -0.241 18938 435 1 8 . 1 1 5 5 ARG CB C 5 32.319 32.319 33.170 -0.851 18938 436 1 8 . 1 1 5 5 ARG H H 5 8.689 8.689 9.177 -0.488 18938 437 1 8 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.047 -0.026 18938 438 1 8 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.453 0.353 18938 439 1 8 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.423 0.389 18938 440 1 8 . 1 1 6 6 ARG H H 6 9.216 9.216 9.225 -0.009 18938 441 1 8 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.877 0.320 18938 442 1 8 . 1 1 7 7 GLY H H 7 8.645 8.645 8.373 0.272 18938 443 1 8 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.477 -0.262 18938 444 1 8 . 1 1 8 8 VAL CA C 8 62.144 62.144 60.721 1.423 18938 445 1 8 . 1 1 8 8 VAL CB C 8 33.034 33.034 34.364 -1.331 18938 446 1 8 . 1 1 8 8 VAL H H 8 7.899 7.899 7.653 0.246 18938 447 1 8 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.384 -0.130 18938 448 1 8 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.073 -3.018 18938 449 1 8 . 1 1 9 9 CYS CB C 9 44.978 44.978 28.196 16.782 18938 450 1 8 . 1 1 9 9 CYS H H 9 8.983 8.983 8.805 0.178 18938 451 1 8 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.758 -0.123 18938 452 1 8 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.553 1.561 18938 453 1 8 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.217 -1.557 18938 454 1 8 . 1 1 10 10 ARG H H 10 8.755 8.755 9.244 -0.489 18938 455 1 8 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.295 -0.138 18938 456 1 8 . 1 1 11 11 CYS CA C 11 55.303 55.303 56.780 -1.477 18938 457 1 8 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.645 15.026 18938 458 1 8 . 1 1 11 11 CYS H H 11 8.882 8.882 8.986 -0.104 18938 459 1 8 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.548 -0.342 18938 460 1 8 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.051 1.093 18938 461 1 8 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.418 1.918 18938 462 1 8 . 1 1 12 12 VAL H H 12 8.356 8.356 8.191 0.165 18938 463 1 8 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.825 0.109 18938 464 1 8 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.813 -2.303 18938 465 1 8 . 1 1 13 13 CYS CB C 13 44.711 44.711 31.046 13.665 18938 466 1 8 . 1 1 13 13 CYS H H 13 8.747 8.747 8.449 0.298 18938 467 1 8 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.652 -0.317 18938 468 1 8 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.645 3.096 18938 469 1 8 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.959 -0.971 18938 470 1 8 . 1 1 14 14 ARG H H 14 8.681 8.681 8.991 -0.310 18938 471 1 8 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.216 -0.083 18938 472 1 8 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.704 -0.006 18938 473 1 8 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.610 0.948 18938 474 1 8 . 1 1 15 15 ARG H H 15 8.754 8.754 8.650 0.104 18938 475 1 8 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.502 -0.176 18938 476 1 8 . 1 1 16 16 GLY H H 16 8.435 8.435 8.630 -0.195 18938 477 1 8 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.410 -0.224 18938 478 1 8 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.263 0.182 18938 479 1 8 . 1 1 17 17 VAL CB C 17 32.874 32.874 33.777 -0.903 18938 480 1 8 . 1 1 17 17 VAL H H 17 7.879 7.879 7.703 0.176 18938 481 1 9 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.939 0.221 18938 482 1 9 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.061 -1.849 18938 483 1 9 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.160 16.695 18938 484 1 9 . 1 1 2 2 CYS H H 2 9.120 9.120 8.613 0.507 18938 485 1 9 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.338 -0.068 18938 486 1 9 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.406 0.522 18938 487 1 9 . 1 1 3 3 VAL CB C 3 33.852 33.852 32.575 1.278 18938 488 1 9 . 1 1 3 3 VAL H H 3 8.641 8.641 9.188 -0.547 18938 489 1 9 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.269 0.111 18938 490 1 9 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.522 -2.219 18938 491 1 9 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.816 17.486 18938 492 1 9 . 1 1 4 4 CYS H H 4 8.982 8.982 8.867 0.115 18938 493 1 9 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.472 0.011 18938 494 1 9 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.783 0.033 18938 495 1 9 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.203 0.117 18938 496 1 9 . 1 1 5 5 ARG H H 5 8.689 8.689 8.716 -0.027 18938 497 1 9 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.078 -0.057 18938 498 1 9 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.967 -0.161 18938 499 1 9 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.075 0.737 18938 500 1 9 . 1 1 6 6 ARG H H 6 9.216 9.216 9.202 0.014 18938 501 1 9 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.921 0.276 18938 502 1 9 . 1 1 7 7 GLY H H 7 8.645 8.645 8.224 0.421 18938 503 1 9 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.227 -0.012 18938 504 1 9 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.479 0.665 18938 505 1 9 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.656 1.378 18938 506 1 9 . 1 1 8 8 VAL H H 8 7.899 7.899 7.603 0.296 18938 507 1 9 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.110 0.144 18938 508 1 9 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.211 -3.156 18938 509 1 9 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.924 18.053 18938 510 1 9 . 1 1 9 9 CYS H H 9 8.983 8.983 9.031 -0.049 18938 511 1 9 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.758 -0.123 18938 512 1 9 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.058 1.056 18938 513 1 9 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.870 -1.210 18938 514 1 9 . 1 1 10 10 ARG H H 10 8.755 8.755 9.162 -0.407 18938 515 1 9 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.555 0.602 18938 516 1 9 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.448 -3.145 18938 517 1 9 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.993 16.678 18938 518 1 9 . 1 1 11 11 CYS H H 11 8.882 8.882 9.026 -0.144 18938 519 1 9 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.053 0.153 18938 520 1 9 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.607 -0.463 18938 521 1 9 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.311 3.025 18938 522 1 9 . 1 1 12 12 VAL H H 12 8.356 8.356 8.720 -0.364 18938 523 1 9 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.451 0.483 18938 524 1 9 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.517 -3.007 18938 525 1 9 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.745 15.966 18938 526 1 9 . 1 1 13 13 CYS H H 13 8.747 8.747 8.630 0.117 18938 527 1 9 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.431 -0.096 18938 528 1 9 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.809 1.931 18938 529 1 9 . 1 1 14 14 ARG CB C 14 30.988 30.988 30.040 0.948 18938 530 1 9 . 1 1 14 14 ARG H H 14 8.681 8.681 8.499 0.182 18938 531 1 9 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.925 0.208 18938 532 1 9 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.344 -0.646 18938 533 1 9 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.294 1.264 18938 534 1 9 . 1 1 15 15 ARG H H 15 8.754 8.754 8.632 0.122 18938 535 1 9 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.897 0.429 18938 536 1 9 . 1 1 16 16 GLY H H 16 8.435 8.435 8.345 0.090 18938 537 1 9 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.239 -0.053 18938 538 1 9 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.297 0.148 18938 539 1 9 . 1 1 17 17 VAL CB C 17 32.874 32.874 30.018 2.856 18938 540 1 9 . 1 1 17 17 VAL H H 17 7.879 7.879 7.627 0.252 18938 541 1 10 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.761 0.399 18938 542 1 10 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.525 -2.313 18938 543 1 10 . 1 1 2 2 CYS CB C 2 44.855 44.855 26.345 18.510 18938 544 1 10 . 1 1 2 2 CYS H H 2 9.120 9.120 8.544 0.576 18938 545 1 10 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.399 -0.129 18938 546 1 10 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.490 0.438 18938 547 1 10 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.169 -1.317 18938 548 1 10 . 1 1 3 3 VAL H H 3 8.641 8.641 9.018 -0.377 18938 549 1 10 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.369 0.011 18938 550 1 10 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.756 -2.453 18938 551 1 10 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.353 17.949 18938 552 1 10 . 1 1 4 4 CYS H H 4 8.982 8.982 8.844 0.138 18938 553 1 10 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.572 -0.089 18938 554 1 10 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.183 0.633 18938 555 1 10 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.077 0.242 18938 556 1 10 . 1 1 5 5 ARG H H 5 8.689 8.689 8.841 -0.152 18938 557 1 10 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.008 0.013 18938 558 1 10 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.586 0.220 18938 559 1 10 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.945 -0.133 18938 560 1 10 . 1 1 6 6 ARG H H 6 9.216 9.216 9.222 -0.006 18938 561 1 10 . 1 1 7 7 GLY CA C 7 45.197 45.197 45.157 0.040 18938 562 1 10 . 1 1 7 7 GLY H H 7 8.645 8.645 8.200 0.445 18938 563 1 10 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.122 0.093 18938 564 1 10 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.595 -0.451 18938 565 1 10 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.125 1.909 18938 566 1 10 . 1 1 8 8 VAL H H 8 7.899 7.899 7.547 0.352 18938 567 1 10 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.322 -0.068 18938 568 1 10 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.350 -3.295 18938 569 1 10 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.770 18.209 18938 570 1 10 . 1 1 9 9 CYS H H 9 8.983 8.983 8.627 0.356 18938 571 1 10 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.766 -0.131 18938 572 1 10 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.553 1.561 18938 573 1 10 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.378 -1.718 18938 574 1 10 . 1 1 10 10 ARG H H 10 8.755 8.755 9.239 -0.484 18938 575 1 10 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.778 0.379 18938 576 1 10 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.110 -2.807 18938 577 1 10 . 1 1 11 11 CYS CB C 11 44.671 44.671 28.682 15.989 18938 578 1 10 . 1 1 11 11 CYS H H 11 8.882 8.882 8.863 0.019 18938 579 1 10 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.092 0.114 18938 580 1 10 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.223 -0.079 18938 581 1 10 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.578 2.758 18938 582 1 10 . 1 1 12 12 VAL H H 12 8.356 8.356 8.508 -0.152 18938 583 1 10 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.711 0.223 18938 584 1 10 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.676 -2.166 18938 585 1 10 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.650 15.061 18938 586 1 10 . 1 1 13 13 CYS H H 13 8.747 8.747 8.092 0.655 18938 587 1 10 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.435 -0.100 18938 588 1 10 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.780 1.961 18938 589 1 10 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.576 1.412 18938 590 1 10 . 1 1 14 14 ARG H H 14 8.681 8.681 8.553 0.128 18938 591 1 10 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.005 0.128 18938 592 1 10 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.322 -0.624 18938 593 1 10 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.859 0.699 18938 594 1 10 . 1 1 15 15 ARG H H 15 8.754 8.754 8.459 0.295 18938 595 1 10 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.852 0.474 18938 596 1 10 . 1 1 16 16 GLY H H 16 8.435 8.435 8.453 -0.018 18938 597 1 10 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.188 -0.002 18938 598 1 10 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.236 0.209 18938 599 1 10 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.148 3.726 18938 600 1 10 . 1 1 17 17 VAL H H 17 7.879 7.879 7.655 0.224 18938 601 1 11 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.161 -0.001 18938 602 1 11 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.497 -1.285 18938 603 1 11 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.947 15.908 18938 604 1 11 . 1 1 2 2 CYS H H 2 9.120 9.120 8.646 0.474 18938 605 1 11 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.608 -0.338 18938 606 1 11 . 1 1 3 3 VAL CA C 3 61.928 61.928 60.718 1.210 18938 607 1 11 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.394 -1.542 18938 608 1 11 . 1 1 3 3 VAL H H 3 8.641 8.641 9.112 -0.471 18938 609 1 11 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.209 0.171 18938 610 1 11 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.490 -2.187 18938 611 1 11 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.040 17.262 18938 612 1 11 . 1 1 4 4 CYS H H 4 8.982 8.982 8.633 0.349 18938 613 1 11 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.531 -0.048 18938 614 1 11 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.347 0.469 18938 615 1 11 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.179 0.140 18938 616 1 11 . 1 1 5 5 ARG H H 5 8.689 8.689 9.155 -0.466 18938 617 1 11 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.039 -0.018 18938 618 1 11 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.922 -0.116 18938 619 1 11 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.772 0.040 18938 620 1 11 . 1 1 6 6 ARG H H 6 9.216 9.216 9.416 -0.200 18938 621 1 11 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.824 0.373 18938 622 1 11 . 1 1 7 7 GLY H H 7 8.645 8.645 8.415 0.230 18938 623 1 11 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.198 0.017 18938 624 1 11 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.573 0.571 18938 625 1 11 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.457 0.577 18938 626 1 11 . 1 1 8 8 VAL H H 8 7.899 7.899 7.642 0.257 18938 627 1 11 . 1 1 9 9 CYS HA H 9 5.254 5.254 4.884 0.370 18938 628 1 11 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.850 -3.795 18938 629 1 11 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.327 17.651 18938 630 1 11 . 1 1 9 9 CYS H H 9 8.983 8.983 9.002 -0.019 18938 631 1 11 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.708 -0.073 18938 632 1 11 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.500 1.614 18938 633 1 11 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.471 -0.811 18938 634 1 11 . 1 1 10 10 ARG H H 10 8.755 8.755 9.226 -0.471 18938 635 1 11 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.649 0.508 18938 636 1 11 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.976 -3.673 18938 637 1 11 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.034 18.637 18938 638 1 11 . 1 1 11 11 CYS H H 11 8.882 8.882 8.959 -0.077 18938 639 1 11 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.393 -0.187 18938 640 1 11 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.000 0.144 18938 641 1 11 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.712 -0.376 18938 642 1 11 . 1 1 12 12 VAL H H 12 8.356 8.356 8.112 0.244 18938 643 1 11 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.688 0.246 18938 644 1 11 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.584 -2.074 18938 645 1 11 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.907 13.804 18938 646 1 11 . 1 1 13 13 CYS H H 13 8.747 8.747 8.541 0.206 18938 647 1 11 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.617 -0.282 18938 648 1 11 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.641 2.100 18938 649 1 11 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.880 -0.892 18938 650 1 11 . 1 1 14 14 ARG H H 14 8.681 8.681 8.801 -0.120 18938 651 1 11 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.107 0.026 18938 652 1 11 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.926 -0.228 18938 653 1 11 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.430 1.128 18938 654 1 11 . 1 1 15 15 ARG H H 15 8.754 8.754 8.766 -0.012 18938 655 1 11 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.022 0.305 18938 656 1 11 . 1 1 16 16 GLY H H 16 8.435 8.435 8.753 -0.318 18938 657 1 11 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.376 -0.190 18938 658 1 11 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.427 1.018 18938 659 1 11 . 1 1 17 17 VAL CB C 17 32.874 32.874 33.043 -0.169 18938 660 1 11 . 1 1 17 17 VAL H H 17 7.879 7.879 7.775 0.104 18938 661 1 12 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.346 -0.186 18938 662 1 12 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.591 -1.379 18938 663 1 12 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.314 15.541 18938 664 1 12 . 1 1 2 2 CYS H H 2 9.120 9.120 8.459 0.661 18938 665 1 12 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.391 -0.121 18938 666 1 12 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.159 0.769 18938 667 1 12 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.588 -0.736 18938 668 1 12 . 1 1 3 3 VAL H H 3 8.641 8.641 9.216 -0.575 18938 669 1 12 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.327 0.053 18938 670 1 12 . 1 1 4 4 CYS CA C 4 55.303 55.303 58.107 -2.804 18938 671 1 12 . 1 1 4 4 CYS CB C 4 46.302 46.302 26.852 19.450 18938 672 1 12 . 1 1 4 4 CYS H H 4 8.982 8.982 8.908 0.074 18938 673 1 12 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.571 -0.088 18938 674 1 12 . 1 1 5 5 ARG CA C 5 55.816 55.816 54.148 1.668 18938 675 1 12 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.466 -0.147 18938 676 1 12 . 1 1 5 5 ARG H H 5 8.689 8.689 9.078 -0.389 18938 677 1 12 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.042 -0.021 18938 678 1 12 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.381 0.425 18938 679 1 12 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.621 0.191 18938 680 1 12 . 1 1 6 6 ARG H H 6 9.216 9.216 9.058 0.158 18938 681 1 12 . 1 1 7 7 GLY CA C 7 45.197 45.197 45.037 0.160 18938 682 1 12 . 1 1 7 7 GLY H H 7 8.645 8.645 8.258 0.387 18938 683 1 12 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.296 -0.081 18938 684 1 12 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.208 0.936 18938 685 1 12 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.653 0.381 18938 686 1 12 . 1 1 8 8 VAL H H 8 7.899 7.899 7.635 0.264 18938 687 1 12 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.278 -0.024 18938 688 1 12 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.035 -2.980 18938 689 1 12 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.220 17.758 18938 690 1 12 . 1 1 9 9 CYS H H 9 8.983 8.983 8.930 0.053 18938 691 1 12 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.757 -0.122 18938 692 1 12 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.528 1.586 18938 693 1 12 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.362 -1.702 18938 694 1 12 . 1 1 10 10 ARG H H 10 8.755 8.755 8.988 -0.233 18938 695 1 12 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.035 0.122 18938 696 1 12 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.317 -3.014 18938 697 1 12 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.127 17.544 18938 698 1 12 . 1 1 11 11 CYS H H 11 8.882 8.882 8.783 0.099 18938 699 1 12 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.108 0.098 18938 700 1 12 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.872 -0.728 18938 701 1 12 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.111 0.224 18938 702 1 12 . 1 1 12 12 VAL H H 12 8.356 8.356 8.193 0.163 18938 703 1 12 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.816 0.118 18938 704 1 12 . 1 1 13 13 CYS CA C 13 55.510 55.510 56.788 -1.278 18938 705 1 12 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.331 15.380 18938 706 1 12 . 1 1 13 13 CYS H H 13 8.747 8.747 8.494 0.253 18938 707 1 12 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.604 -0.269 18938 708 1 12 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.634 3.107 18938 709 1 12 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.417 -1.429 18938 710 1 12 . 1 1 14 14 ARG H H 14 8.681 8.681 8.462 0.219 18938 711 1 12 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.215 -0.082 18938 712 1 12 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.098 0.600 18938 713 1 12 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.033 1.525 18938 714 1 12 . 1 1 15 15 ARG H H 15 8.754 8.754 8.830 -0.076 18938 715 1 12 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.707 -0.381 18938 716 1 12 . 1 1 16 16 GLY H H 16 8.435 8.435 8.643 -0.208 18938 717 1 12 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.483 -0.297 18938 718 1 12 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.079 0.366 18938 719 1 12 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.120 0.754 18938 720 1 12 . 1 1 17 17 VAL H H 17 7.879 7.879 7.865 0.014 18938 721 1 13 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.908 0.252 18938 722 1 13 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.748 -1.536 18938 723 1 13 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.213 16.642 18938 724 1 13 . 1 1 2 2 CYS H H 2 9.120 9.120 8.398 0.722 18938 725 1 13 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.415 -0.145 18938 726 1 13 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.191 0.737 18938 727 1 13 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.779 0.073 18938 728 1 13 . 1 1 3 3 VAL H H 3 8.641 8.641 9.200 -0.559 18938 729 1 13 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.452 -0.072 18938 730 1 13 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.786 -2.483 18938 731 1 13 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.081 17.221 18938 732 1 13 . 1 1 4 4 CYS H H 4 8.982 8.982 8.998 -0.016 18938 733 1 13 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.567 -0.084 18938 734 1 13 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.105 0.711 18938 735 1 13 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.723 0.596 18938 736 1 13 . 1 1 5 5 ARG H H 5 8.689 8.689 9.006 -0.317 18938 737 1 13 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.007 0.014 18938 738 1 13 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.030 -0.224 18938 739 1 13 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.709 0.103 18938 740 1 13 . 1 1 6 6 ARG H H 6 9.216 9.216 9.341 -0.125 18938 741 1 13 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.833 0.364 18938 742 1 13 . 1 1 7 7 GLY H H 7 8.645 8.645 8.407 0.238 18938 743 1 13 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.167 0.048 18938 744 1 13 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.553 -0.409 18938 745 1 13 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.377 1.657 18938 746 1 13 . 1 1 8 8 VAL H H 8 7.899 7.899 7.594 0.305 18938 747 1 13 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.252 0.002 18938 748 1 13 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.120 -3.065 18938 749 1 13 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.706 18.271 18938 750 1 13 . 1 1 9 9 CYS H H 9 8.983 8.983 8.815 0.168 18938 751 1 13 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.715 -0.080 18938 752 1 13 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.382 0.732 18938 753 1 13 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.236 -1.577 18938 754 1 13 . 1 1 10 10 ARG H H 10 8.755 8.755 9.272 -0.517 18938 755 1 13 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.026 0.131 18938 756 1 13 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.071 -2.768 18938 757 1 13 . 1 1 11 11 CYS CB C 11 44.671 44.671 30.539 14.132 18938 758 1 13 . 1 1 11 11 CYS H H 11 8.882 8.882 8.993 -0.111 18938 759 1 13 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.259 -0.053 18938 760 1 13 . 1 1 12 12 VAL CA C 12 62.144 62.144 63.031 -0.887 18938 761 1 13 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.201 2.135 18938 762 1 13 . 1 1 12 12 VAL H H 12 8.356 8.356 8.637 -0.281 18938 763 1 13 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.837 0.097 18938 764 1 13 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.056 -1.546 18938 765 1 13 . 1 1 13 13 CYS CB C 13 44.711 44.711 31.254 13.457 18938 766 1 13 . 1 1 13 13 CYS H H 13 8.747 8.747 8.473 0.274 18938 767 1 13 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.613 -0.278 18938 768 1 13 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.516 3.225 18938 769 1 13 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.853 -0.865 18938 770 1 13 . 1 1 14 14 ARG H H 14 8.681 8.681 8.584 0.097 18938 771 1 13 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.160 -0.027 18938 772 1 13 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.928 -0.230 18938 773 1 13 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.710 0.848 18938 774 1 13 . 1 1 15 15 ARG H H 15 8.754 8.754 8.852 -0.098 18938 775 1 13 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.796 -0.470 18938 776 1 13 . 1 1 16 16 GLY H H 16 8.435 8.435 8.650 -0.215 18938 777 1 13 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.492 -0.306 18938 778 1 13 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.617 0.828 18938 779 1 13 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.211 0.663 18938 780 1 13 . 1 1 17 17 VAL H H 17 7.879 7.879 7.840 0.039 18938 781 1 14 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.533 -0.373 18938 782 1 14 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.600 -1.388 18938 783 1 14 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.035 15.820 18938 784 1 14 . 1 1 2 2 CYS H H 2 9.120 9.120 8.336 0.784 18938 785 1 14 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.567 -0.297 18938 786 1 14 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.219 0.709 18938 787 1 14 . 1 1 3 3 VAL CB C 3 33.852 33.852 36.499 -2.647 18938 788 1 14 . 1 1 3 3 VAL H H 3 8.641 8.641 8.576 0.065 18938 789 1 14 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.453 -0.073 18938 790 1 14 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.842 -2.539 18938 791 1 14 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.865 18.437 18938 792 1 14 . 1 1 4 4 CYS H H 4 8.982 8.982 8.679 0.303 18938 793 1 14 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.517 -0.034 18938 794 1 14 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.097 0.719 18938 795 1 14 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.091 0.228 18938 796 1 14 . 1 1 5 5 ARG H H 5 8.689 8.689 8.912 -0.223 18938 797 1 14 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.033 -0.012 18938 798 1 14 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.956 -0.150 18938 799 1 14 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.921 -0.109 18938 800 1 14 . 1 1 6 6 ARG H H 6 9.216 9.216 9.298 -0.082 18938 801 1 14 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.835 0.362 18938 802 1 14 . 1 1 7 7 GLY H H 7 8.645 8.645 8.386 0.259 18938 803 1 14 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.169 0.046 18938 804 1 14 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.447 -0.302 18938 805 1 14 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.393 1.641 18938 806 1 14 . 1 1 8 8 VAL H H 8 7.899 7.899 7.548 0.351 18938 807 1 14 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.110 0.144 18938 808 1 14 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.386 -3.331 18938 809 1 14 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.112 18.866 18938 810 1 14 . 1 1 9 9 CYS H H 9 8.983 8.983 8.827 0.156 18938 811 1 14 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.676 -0.041 18938 812 1 14 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.070 2.044 18938 813 1 14 . 1 1 10 10 ARG CB C 10 31.660 31.660 30.922 0.738 18938 814 1 14 . 1 1 10 10 ARG H H 10 8.755 8.755 9.231 -0.476 18938 815 1 14 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.875 0.282 18938 816 1 14 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.309 -3.006 18938 817 1 14 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.122 18.549 18938 818 1 14 . 1 1 11 11 CYS H H 11 8.882 8.882 8.951 -0.069 18938 819 1 14 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.124 0.082 18938 820 1 14 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.803 -0.659 18938 821 1 14 . 1 1 12 12 VAL CB C 12 33.336 33.336 33.429 -0.093 18938 822 1 14 . 1 1 12 12 VAL H H 12 8.356 8.356 8.076 0.280 18938 823 1 14 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.534 0.400 18938 824 1 14 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.867 -2.357 18938 825 1 14 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.841 15.870 18938 826 1 14 . 1 1 13 13 CYS H H 13 8.747 8.747 8.427 0.320 18938 827 1 14 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.405 -0.070 18938 828 1 14 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.131 1.610 18938 829 1 14 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.742 1.246 18938 830 1 14 . 1 1 14 14 ARG H H 14 8.681 8.681 8.545 0.136 18938 831 1 14 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.967 0.166 18938 832 1 14 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.169 -0.471 18938 833 1 14 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.584 0.974 18938 834 1 14 . 1 1 15 15 ARG H H 15 8.754 8.754 8.913 -0.159 18938 835 1 14 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.929 0.397 18938 836 1 14 . 1 1 16 16 GLY H H 16 8.435 8.435 8.325 0.110 18938 837 1 14 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.416 -0.230 18938 838 1 14 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.804 0.641 18938 839 1 14 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.413 1.461 18938 840 1 14 . 1 1 17 17 VAL H H 17 7.879 7.879 7.541 0.338 18938 841 1 15 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.026 0.134 18938 842 1 15 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.825 -1.613 18938 843 1 15 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.994 16.861 18938 844 1 15 . 1 1 2 2 CYS H H 2 9.120 9.120 8.481 0.639 18938 845 1 15 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.290 -0.020 18938 846 1 15 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.471 0.457 18938 847 1 15 . 1 1 3 3 VAL CB C 3 33.852 33.852 31.869 1.983 18938 848 1 15 . 1 1 3 3 VAL H H 3 8.641 8.641 9.148 -0.507 18938 849 1 15 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.501 -0.121 18938 850 1 15 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.843 -2.540 18938 851 1 15 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.293 19.009 18938 852 1 15 . 1 1 4 4 CYS H H 4 8.982 8.982 8.899 0.083 18938 853 1 15 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.581 -0.098 18938 854 1 15 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.192 0.624 18938 855 1 15 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.089 0.230 18938 856 1 15 . 1 1 5 5 ARG H H 5 8.689 8.689 9.194 -0.505 18938 857 1 15 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.006 0.015 18938 858 1 15 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.345 0.461 18938 859 1 15 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.075 0.737 18938 860 1 15 . 1 1 6 6 ARG H H 6 9.216 9.216 9.204 0.011 18938 861 1 15 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.714 0.483 18938 862 1 15 . 1 1 7 7 GLY H H 7 8.645 8.645 8.321 0.324 18938 863 1 15 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.384 -0.169 18938 864 1 15 . 1 1 8 8 VAL CA C 8 62.144 62.144 60.895 1.249 18938 865 1 15 . 1 1 8 8 VAL CB C 8 33.034 33.034 33.856 -0.822 18938 866 1 15 . 1 1 8 8 VAL H H 8 7.899 7.899 7.668 0.231 18938 867 1 15 . 1 1 9 9 CYS HA H 9 5.254 5.254 4.997 0.257 18938 868 1 15 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.082 -3.027 18938 869 1 15 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.396 18.582 18938 870 1 15 . 1 1 9 9 CYS H H 9 8.983 8.983 9.023 -0.040 18938 871 1 15 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.639 -0.004 18938 872 1 15 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.301 1.813 18938 873 1 15 . 1 1 10 10 ARG CB C 10 31.660 31.660 30.620 1.040 18938 874 1 15 . 1 1 10 10 ARG H H 10 8.755 8.755 9.031 -0.276 18938 875 1 15 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.785 0.372 18938 876 1 15 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.821 -3.518 18938 877 1 15 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.902 16.769 18938 878 1 15 . 1 1 11 11 CYS H H 11 8.882 8.882 8.910 -0.028 18938 879 1 15 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.035 0.171 18938 880 1 15 . 1 1 12 12 VAL CA C 12 62.144 62.144 63.279 -1.135 18938 881 1 15 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.599 2.737 18938 882 1 15 . 1 1 12 12 VAL H H 12 8.356 8.356 8.347 0.009 18938 883 1 15 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.508 0.426 18938 884 1 15 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.926 -2.416 18938 885 1 15 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.322 15.389 18938 886 1 15 . 1 1 13 13 CYS H H 13 8.747 8.747 8.537 0.210 18938 887 1 15 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.603 -0.268 18938 888 1 15 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.101 3.640 18938 889 1 15 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.691 -0.703 18938 890 1 15 . 1 1 14 14 ARG H H 14 8.681 8.681 8.537 0.144 18938 891 1 15 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.140 -0.007 18938 892 1 15 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.021 -0.323 18938 893 1 15 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.539 1.019 18938 894 1 15 . 1 1 15 15 ARG H H 15 8.754 8.754 8.838 -0.084 18938 895 1 15 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.687 -0.361 18938 896 1 15 . 1 1 16 16 GLY H H 16 8.435 8.435 8.694 -0.259 18938 897 1 15 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.509 -0.323 18938 898 1 15 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.874 0.571 18938 899 1 15 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.694 1.180 18938 900 1 15 . 1 1 17 17 VAL H H 17 7.879 7.879 7.867 0.012 18938 901 1 16 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.110 0.050 18938 902 1 16 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.968 -1.756 18938 903 1 16 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.779 17.076 18938 904 1 16 . 1 1 2 2 CYS H H 2 9.120 9.120 8.474 0.646 18938 905 1 16 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.393 -0.123 18938 906 1 16 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.657 0.272 18938 907 1 16 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.983 -0.130 18938 908 1 16 . 1 1 3 3 VAL H H 3 8.641 8.641 9.207 -0.566 18938 909 1 16 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.519 -0.139 18938 910 1 16 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.646 -2.343 18938 911 1 16 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.708 17.594 18938 912 1 16 . 1 1 4 4 CYS H H 4 8.982 8.982 8.922 0.060 18938 913 1 16 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.527 -0.044 18938 914 1 16 . 1 1 5 5 ARG CA C 5 55.816 55.816 56.114 -0.298 18938 915 1 16 . 1 1 5 5 ARG CB C 5 32.319 32.319 33.351 -1.032 18938 916 1 16 . 1 1 5 5 ARG H H 5 8.689 8.689 9.300 -0.611 18938 917 1 16 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.050 -0.029 18938 918 1 16 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.580 0.226 18938 919 1 16 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.709 0.103 18938 920 1 16 . 1 1 6 6 ARG H H 6 9.216 9.216 9.155 0.061 18938 921 1 16 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.724 0.473 18938 922 1 16 . 1 1 7 7 GLY H H 7 8.645 8.645 8.166 0.479 18938 923 1 16 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.451 -0.236 18938 924 1 16 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.147 0.997 18938 925 1 16 . 1 1 8 8 VAL CB C 8 33.034 33.034 34.468 -1.434 18938 926 1 16 . 1 1 8 8 VAL H H 8 7.899 7.899 7.656 0.243 18938 927 1 16 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.400 -0.146 18938 928 1 16 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.433 -2.378 18938 929 1 16 . 1 1 9 9 CYS CB C 9 44.978 44.978 29.763 15.215 18938 930 1 16 . 1 1 9 9 CYS H H 9 8.983 8.983 8.684 0.299 18938 931 1 16 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.746 -0.111 18938 932 1 16 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.720 0.394 18938 933 1 16 . 1 1 10 10 ARG CB C 10 31.660 31.660 33.349 -1.688 18938 934 1 16 . 1 1 10 10 ARG H H 10 8.755 8.755 9.070 -0.315 18938 935 1 16 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.978 0.179 18938 936 1 16 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.972 -2.669 18938 937 1 16 . 1 1 11 11 CYS CB C 11 44.671 44.671 26.999 17.672 18938 938 1 16 . 1 1 11 11 CYS H H 11 8.882 8.882 8.691 0.191 18938 939 1 16 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.137 0.069 18938 940 1 16 . 1 1 12 12 VAL CA C 12 62.144 62.144 63.618 -1.474 18938 941 1 16 . 1 1 12 12 VAL CB C 12 33.336 33.336 32.877 0.459 18938 942 1 16 . 1 1 12 12 VAL H H 12 8.356 8.356 8.401 -0.045 18938 943 1 16 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.904 0.030 18938 944 1 16 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.059 -1.549 18938 945 1 16 . 1 1 13 13 CYS CB C 13 44.711 44.711 30.698 14.013 18938 946 1 16 . 1 1 13 13 CYS H H 13 8.747 8.747 8.457 0.290 18938 947 1 16 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.535 -0.200 18938 948 1 16 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.549 2.192 18938 949 1 16 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.929 1.059 18938 950 1 16 . 1 1 14 14 ARG H H 14 8.681 8.681 8.613 0.068 18938 951 1 16 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.019 0.114 18938 952 1 16 . 1 1 15 15 ARG CA C 15 56.698 56.698 57.026 -0.327 18938 953 1 16 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.932 0.626 18938 954 1 16 . 1 1 15 15 ARG H H 15 8.754 8.754 9.296 -0.542 18938 955 1 16 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.254 0.072 18938 956 1 16 . 1 1 16 16 GLY H H 16 8.435 8.435 8.509 -0.074 18938 957 1 16 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.385 -0.199 18938 958 1 16 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.980 0.465 18938 959 1 16 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.847 0.027 18938 960 1 16 . 1 1 17 17 VAL H H 17 7.879 7.879 7.716 0.163 18938 961 1 17 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.171 -0.011 18938 962 1 17 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.878 -1.666 18938 963 1 17 . 1 1 2 2 CYS CB C 2 44.855 44.855 27.114 17.741 18938 964 1 17 . 1 1 2 2 CYS H H 2 9.120 9.120 8.486 0.634 18938 965 1 17 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.362 -0.092 18938 966 1 17 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.756 0.172 18938 967 1 17 . 1 1 3 3 VAL CB C 3 33.852 33.852 33.738 0.114 18938 968 1 17 . 1 1 3 3 VAL H H 3 8.641 8.641 8.847 -0.206 18938 969 1 17 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.560 -0.180 18938 970 1 17 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.452 -2.149 18938 971 1 17 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.125 18.177 18938 972 1 17 . 1 1 4 4 CYS H H 4 8.982 8.982 8.947 0.035 18938 973 1 17 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.519 -0.036 18938 974 1 17 . 1 1 5 5 ARG CA C 5 55.816 55.816 56.110 -0.294 18938 975 1 17 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.950 -0.631 18938 976 1 17 . 1 1 5 5 ARG H H 5 8.689 8.689 8.975 -0.286 18938 977 1 17 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.067 -0.046 18938 978 1 17 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.872 -0.066 18938 979 1 17 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.792 0.020 18938 980 1 17 . 1 1 6 6 ARG H H 6 9.216 9.216 9.317 -0.101 18938 981 1 17 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.931 0.266 18938 982 1 17 . 1 1 7 7 GLY H H 7 8.645 8.645 8.413 0.232 18938 983 1 17 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.195 0.020 18938 984 1 17 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.245 -0.100 18938 985 1 17 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.393 1.641 18938 986 1 17 . 1 1 8 8 VAL H H 8 7.899 7.899 7.568 0.331 18938 987 1 17 . 1 1 9 9 CYS HA H 9 5.254 5.254 4.949 0.305 18938 988 1 17 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.290 -3.235 18938 989 1 17 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.111 18.867 18938 990 1 17 . 1 1 9 9 CYS H H 9 8.983 8.983 8.860 0.123 18938 991 1 17 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.707 -0.072 18938 992 1 17 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.161 0.953 18938 993 1 17 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.084 -0.424 18938 994 1 17 . 1 1 10 10 ARG H H 10 8.755 8.755 9.164 -0.409 18938 995 1 17 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.745 0.412 18938 996 1 17 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.080 -2.777 18938 997 1 17 . 1 1 11 11 CYS CB C 11 44.671 44.671 27.194 17.477 18938 998 1 17 . 1 1 11 11 CYS H H 11 8.882 8.882 8.978 -0.096 18938 999 1 17 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.099 0.107 18938 1000 1 17 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.727 -0.583 18938 1001 1 17 . 1 1 12 12 VAL CB C 12 33.336 33.336 31.311 2.025 18938 1002 1 17 . 1 1 12 12 VAL H H 12 8.356 8.356 8.496 -0.140 18938 1003 1 17 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.842 0.092 18938 1004 1 17 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.185 -2.675 18938 1005 1 17 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.664 16.047 18938 1006 1 17 . 1 1 13 13 CYS H H 13 8.747 8.747 8.075 0.672 18938 1007 1 17 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.619 -0.284 18938 1008 1 17 . 1 1 14 14 ARG CA C 14 56.741 56.741 53.201 3.540 18938 1009 1 17 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.447 -1.459 18938 1010 1 17 . 1 1 14 14 ARG H H 14 8.681 8.681 8.465 0.216 18938 1011 1 17 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.153 -0.020 18938 1012 1 17 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.982 -0.284 18938 1013 1 17 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.557 1.001 18938 1014 1 17 . 1 1 15 15 ARG H H 15 8.754 8.754 8.644 0.110 18938 1015 1 17 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.218 0.108 18938 1016 1 17 . 1 1 16 16 GLY H H 16 8.435 8.435 8.667 -0.232 18938 1017 1 17 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.372 -0.186 18938 1018 1 17 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.825 0.620 18938 1019 1 17 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.089 1.785 18938 1020 1 17 . 1 1 17 17 VAL H H 17 7.879 7.879 7.801 0.078 18938 1021 1 18 . 1 1 2 2 CYS HA H 2 5.160 5.160 4.853 0.307 18938 1022 1 18 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.842 -1.630 18938 1023 1 18 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.534 15.321 18938 1024 1 18 . 1 1 2 2 CYS H H 2 9.120 9.120 8.635 0.485 18938 1025 1 18 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.482 -0.212 18938 1026 1 18 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.392 0.535 18938 1027 1 18 . 1 1 3 3 VAL CB C 3 33.852 33.852 35.703 -1.851 18938 1028 1 18 . 1 1 3 3 VAL H H 3 8.641 8.641 9.220 -0.579 18938 1029 1 18 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.589 -0.209 18938 1030 1 18 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.526 -2.223 18938 1031 1 18 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.776 16.526 18938 1032 1 18 . 1 1 4 4 CYS H H 4 8.982 8.982 8.737 0.245 18938 1033 1 18 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.562 -0.079 18938 1034 1 18 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.682 0.134 18938 1035 1 18 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.855 -0.536 18938 1036 1 18 . 1 1 5 5 ARG H H 5 8.689 8.689 8.777 -0.088 18938 1037 1 18 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.037 -0.016 18938 1038 1 18 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.282 -0.476 18938 1039 1 18 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.767 0.045 18938 1040 1 18 . 1 1 6 6 ARG H H 6 9.216 9.216 9.272 -0.056 18938 1041 1 18 . 1 1 7 7 GLY CA C 7 45.197 45.197 45.076 0.121 18938 1042 1 18 . 1 1 7 7 GLY H H 7 8.645 8.645 8.228 0.417 18938 1043 1 18 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.184 0.031 18938 1044 1 18 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.502 0.642 18938 1045 1 18 . 1 1 8 8 VAL CB C 8 33.034 33.034 30.988 2.046 18938 1046 1 18 . 1 1 8 8 VAL H H 8 7.899 7.899 7.811 0.088 18938 1047 1 18 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.263 -0.009 18938 1048 1 18 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.942 -2.887 18938 1049 1 18 . 1 1 9 9 CYS CB C 9 44.978 44.978 28.354 16.624 18938 1050 1 18 . 1 1 9 9 CYS H H 9 8.983 8.983 8.801 0.182 18938 1051 1 18 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.729 -0.094 18938 1052 1 18 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.105 1.009 18938 1053 1 18 . 1 1 10 10 ARG CB C 10 31.660 31.660 34.395 -2.735 18938 1054 1 18 . 1 1 10 10 ARG H H 10 8.755 8.755 9.393 -0.638 18938 1055 1 18 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.592 0.565 18938 1056 1 18 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.606 -2.303 18938 1057 1 18 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.065 15.606 18938 1058 1 18 . 1 1 11 11 CYS H H 11 8.882 8.882 8.834 0.048 18938 1059 1 18 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.096 0.110 18938 1060 1 18 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.007 0.137 18938 1061 1 18 . 1 1 12 12 VAL CB C 12 33.336 33.336 29.945 3.391 18938 1062 1 18 . 1 1 12 12 VAL H H 12 8.356 8.356 8.276 0.080 18938 1063 1 18 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.440 0.494 18938 1064 1 18 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.519 -3.009 18938 1065 1 18 . 1 1 13 13 CYS CB C 13 44.711 44.711 27.865 16.846 18938 1066 1 18 . 1 1 13 13 CYS H H 13 8.747 8.747 8.065 0.682 18938 1067 1 18 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.447 -0.112 18938 1068 1 18 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.544 2.196 18938 1069 1 18 . 1 1 14 14 ARG CB C 14 30.988 30.988 29.807 1.181 18938 1070 1 18 . 1 1 14 14 ARG H H 14 8.681 8.681 8.717 -0.036 18938 1071 1 18 . 1 1 15 15 ARG HA H 15 4.133 4.133 3.937 0.196 18938 1072 1 18 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.991 -0.293 18938 1073 1 18 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.626 0.932 18938 1074 1 18 . 1 1 15 15 ARG H H 15 8.754 8.754 8.780 -0.026 18938 1075 1 18 . 1 1 16 16 GLY CA C 16 45.326 45.326 44.732 0.594 18938 1076 1 18 . 1 1 16 16 GLY H H 16 8.435 8.435 8.418 0.017 18938 1077 1 18 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.343 -0.157 18938 1078 1 18 . 1 1 17 17 VAL CA C 17 62.445 62.445 60.992 1.453 18938 1079 1 18 . 1 1 17 17 VAL CB C 17 32.874 32.874 29.703 3.171 18938 1080 1 18 . 1 1 17 17 VAL H H 17 7.879 7.879 7.734 0.145 18938 1081 1 19 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.262 -0.102 18938 1082 1 19 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.779 -1.567 18938 1083 1 19 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.621 15.234 18938 1084 1 19 . 1 1 2 2 CYS H H 2 9.120 9.120 8.494 0.626 18938 1085 1 19 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.627 -0.357 18938 1086 1 19 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.053 0.875 18938 1087 1 19 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.554 -0.702 18938 1088 1 19 . 1 1 3 3 VAL H H 3 8.641 8.641 9.183 -0.542 18938 1089 1 19 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.544 -0.164 18938 1090 1 19 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.578 -2.275 18938 1091 1 19 . 1 1 4 4 CYS CB C 4 46.302 46.302 29.408 16.894 18938 1092 1 19 . 1 1 4 4 CYS H H 4 8.982 8.982 8.925 0.057 18938 1093 1 19 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.572 -0.089 18938 1094 1 19 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.352 0.464 18938 1095 1 19 . 1 1 5 5 ARG CB C 5 32.319 32.319 31.941 0.378 18938 1096 1 19 . 1 1 5 5 ARG H H 5 8.689 8.689 8.919 -0.230 18938 1097 1 19 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.025 -0.004 18938 1098 1 19 . 1 1 6 6 ARG CA C 6 56.806 56.806 57.028 -0.222 18938 1099 1 19 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.774 0.038 18938 1100 1 19 . 1 1 6 6 ARG H H 6 9.216 9.216 9.299 -0.083 18938 1101 1 19 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.842 0.355 18938 1102 1 19 . 1 1 7 7 GLY H H 7 8.645 8.645 8.402 0.243 18938 1103 1 19 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.111 0.104 18938 1104 1 19 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.984 -0.840 18938 1105 1 19 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.232 1.802 18938 1106 1 19 . 1 1 8 8 VAL H H 8 7.899 7.899 7.578 0.321 18938 1107 1 19 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.594 -0.340 18938 1108 1 19 . 1 1 9 9 CYS CA C 9 55.055 55.055 57.831 -2.776 18938 1109 1 19 . 1 1 9 9 CYS CB C 9 44.978 44.978 28.385 16.593 18938 1110 1 19 . 1 1 9 9 CYS H H 9 8.983 8.983 8.645 0.338 18938 1111 1 19 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.772 -0.137 18938 1112 1 19 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.532 1.582 18938 1113 1 19 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.670 -1.010 18938 1114 1 19 . 1 1 10 10 ARG H H 10 8.755 8.755 9.196 -0.441 18938 1115 1 19 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.880 0.277 18938 1116 1 19 . 1 1 11 11 CYS CA C 11 55.303 55.303 57.853 -2.550 18938 1117 1 19 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.429 15.242 18938 1118 1 19 . 1 1 11 11 CYS H H 11 8.882 8.882 8.859 0.023 18938 1119 1 19 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.353 -0.147 18938 1120 1 19 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.793 0.351 18938 1121 1 19 . 1 1 12 12 VAL CB C 12 33.336 33.336 34.484 -1.148 18938 1122 1 19 . 1 1 12 12 VAL H H 12 8.356 8.356 8.381 -0.025 18938 1123 1 19 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.535 0.399 18938 1124 1 19 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.245 -1.735 18938 1125 1 19 . 1 1 13 13 CYS CB C 13 44.711 44.711 27.507 17.204 18938 1126 1 19 . 1 1 13 13 CYS H H 13 8.747 8.747 8.590 0.157 18938 1127 1 19 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.522 -0.187 18938 1128 1 19 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.505 2.236 18938 1129 1 19 . 1 1 14 14 ARG CB C 14 30.988 30.988 32.185 -1.197 18938 1130 1 19 . 1 1 14 14 ARG H H 14 8.681 8.681 8.187 0.494 18938 1131 1 19 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.219 -0.086 18938 1132 1 19 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.085 0.613 18938 1133 1 19 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.001 1.557 18938 1134 1 19 . 1 1 15 15 ARG H H 15 8.754 8.754 8.884 -0.130 18938 1135 1 19 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.874 -0.548 18938 1136 1 19 . 1 1 16 16 GLY H H 16 8.435 8.435 8.564 -0.129 18938 1137 1 19 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.471 -0.285 18938 1138 1 19 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.956 0.489 18938 1139 1 19 . 1 1 17 17 VAL CB C 17 32.874 32.874 32.368 0.506 18938 1140 1 19 . 1 1 17 17 VAL H H 17 7.879 7.879 7.745 0.134 18938 1141 1 20 . 1 1 2 2 CYS HA H 2 5.160 5.160 5.406 -0.246 18938 1142 1 20 . 1 1 2 2 CYS CA C 2 56.212 56.212 58.031 -1.819 18938 1143 1 20 . 1 1 2 2 CYS CB C 2 44.855 44.855 29.495 15.360 18938 1144 1 20 . 1 1 2 2 CYS H H 2 9.120 9.120 8.639 0.481 18938 1145 1 20 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.305 -0.035 18938 1146 1 20 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.724 0.204 18938 1147 1 20 . 1 1 3 3 VAL CB C 3 33.852 33.852 32.686 1.166 18938 1148 1 20 . 1 1 3 3 VAL H H 3 8.641 8.641 9.085 -0.444 18938 1149 1 20 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.572 -0.192 18938 1150 1 20 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.522 -2.219 18938 1151 1 20 . 1 1 4 4 CYS CB C 4 46.302 46.302 27.487 18.815 18938 1152 1 20 . 1 1 4 4 CYS H H 4 8.982 8.982 8.957 0.025 18938 1153 1 20 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.547 -0.064 18938 1154 1 20 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.415 0.401 18938 1155 1 20 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.302 0.017 18938 1156 1 20 . 1 1 5 5 ARG H H 5 8.689 8.689 8.937 -0.248 18938 1157 1 20 . 1 1 6 6 ARG HA H 6 4.021 4.021 3.989 0.032 18938 1158 1 20 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.987 -0.181 18938 1159 1 20 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.661 0.151 18938 1160 1 20 . 1 1 6 6 ARG H H 6 9.216 9.216 9.319 -0.103 18938 1161 1 20 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.711 0.486 18938 1162 1 20 . 1 1 7 7 GLY H H 7 8.645 8.645 8.346 0.299 18938 1163 1 20 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.050 0.165 18938 1164 1 20 . 1 1 8 8 VAL CA C 8 62.144 62.144 62.449 -0.305 18938 1165 1 20 . 1 1 8 8 VAL CB C 8 33.034 33.034 31.668 1.366 18938 1166 1 20 . 1 1 8 8 VAL H H 8 7.899 7.899 7.662 0.237 18938 1167 1 20 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.038 0.216 18938 1168 1 20 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.084 -3.029 18938 1169 1 20 . 1 1 9 9 CYS CB C 9 44.978 44.978 26.334 18.644 18938 1170 1 20 . 1 1 9 9 CYS H H 9 8.983 8.983 8.796 0.187 18938 1171 1 20 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.737 -0.102 18938 1172 1 20 . 1 1 10 10 ARG CA C 10 56.114 56.114 55.126 0.988 18938 1173 1 20 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.062 -0.402 18938 1174 1 20 . 1 1 10 10 ARG H H 10 8.755 8.755 9.115 -0.360 18938 1175 1 20 . 1 1 11 11 CYS HA H 11 5.157 5.157 5.187 -0.030 18938 1176 1 20 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.037 -2.734 18938 1177 1 20 . 1 1 11 11 CYS CB C 11 44.671 44.671 29.364 15.307 18938 1178 1 20 . 1 1 11 11 CYS H H 11 8.882 8.882 8.970 -0.088 18938 1179 1 20 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.282 -0.076 18938 1180 1 20 . 1 1 12 12 VAL CA C 12 62.144 62.144 61.541 0.604 18938 1181 1 20 . 1 1 12 12 VAL CB C 12 33.336 33.336 30.376 2.960 18938 1182 1 20 . 1 1 12 12 VAL H H 12 8.356 8.356 8.349 0.007 18938 1183 1 20 . 1 1 13 13 CYS HA H 13 4.934 4.934 5.318 -0.384 18938 1184 1 20 . 1 1 13 13 CYS CA C 13 55.510 55.510 58.613 -3.103 18938 1185 1 20 . 1 1 13 13 CYS CB C 13 44.711 44.711 28.409 16.302 18938 1186 1 20 . 1 1 13 13 CYS H H 13 8.747 8.747 8.824 -0.077 18938 1187 1 20 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.519 -0.184 18938 1188 1 20 . 1 1 14 14 ARG CA C 14 56.741 56.741 55.020 1.722 18938 1189 1 20 . 1 1 14 14 ARG CB C 14 30.988 30.988 33.756 -2.768 18938 1190 1 20 . 1 1 14 14 ARG H H 14 8.681 8.681 8.529 0.152 18938 1191 1 20 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.167 -0.034 18938 1192 1 20 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.972 -0.274 18938 1193 1 20 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.504 1.054 18938 1194 1 20 . 1 1 15 15 ARG H H 15 8.754 8.754 8.798 -0.044 18938 1195 1 20 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.333 -0.007 18938 1196 1 20 . 1 1 16 16 GLY H H 16 8.435 8.435 8.632 -0.197 18938 1197 1 20 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.406 -0.220 18938 1198 1 20 . 1 1 17 17 VAL CA C 17 62.445 62.445 62.216 0.229 18938 1199 1 20 . 1 1 17 17 VAL CB C 17 32.874 32.874 33.426 -0.552 18938 1200 1 20 . 1 1 17 17 VAL H H 17 7.879 7.879 7.713 0.166 18938 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 18938 2 1 1 "Average Difference" HA 18 0.282 -0.139 0.252 18938 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18938 4 1 1 "Average Difference" CA 16 1.593 0.436 1.582 18938 5 1 1 "Average Difference" CB 14 10.263 -6.787 7.989 18938 6 1 1 "Average Difference" HN 16 0.318 0.029 0.328 18938 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18938 8 1 2 "Average Difference" HA 18 0.226 -0.050 0.227 18938 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18938 10 1 2 "Average Difference" CA 16 1.687 0.316 1.711 18938 11 1 2 "Average Difference" CB 14 10.251 -6.360 8.343 18938 12 1 2 "Average Difference" HN 16 0.345 0.049 0.352 18938 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18938 14 1 3 "Average Difference" HA 18 0.269 -0.039 0.274 18938 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18938 16 1 3 "Average Difference" CA 16 1.549 0.137 1.593 18938 17 1 3 "Average Difference" CB 14 9.907 -6.107 8.095 18938 18 1 3 "Average Difference" HN 16 0.326 0.012 0.337 18938 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18938 20 1 4 "Average Difference" HA 18 0.293 -0.086 0.288 18938 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18938 22 1 4 "Average Difference" CA 16 1.737 0.378 1.751 18938 23 1 4 "Average Difference" CB 14 10.423 -6.484 8.468 18938 24 1 4 "Average Difference" HN 16 0.321 0.051 0.327 18938 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18938 26 1 5 "Average Difference" HA 18 0.287 -0.133 0.261 18938 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18938 28 1 5 "Average Difference" CA 16 1.684 0.493 1.663 18938 29 1 5 "Average Difference" CB 14 10.125 -6.593 7.974 18938 30 1 5 "Average Difference" HN 16 0.400 -0.042 0.411 18938 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18938 32 1 6 "Average Difference" HA 18 0.226 0.059 0.224 18938 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18938 34 1 6 "Average Difference" CA 16 1.573 0.423 1.565 18938 35 1 6 "Average Difference" CB 14 10.021 -5.702 8.552 18938 36 1 6 "Average Difference" HN 16 0.312 0.062 0.316 18938 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18938 38 1 7 "Average Difference" HA 18 0.308 -0.078 0.307 18938 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18938 40 1 7 "Average Difference" CA 16 1.471 0.482 1.435 18938 41 1 7 "Average Difference" CB 14 9.633 -6.228 7.627 18938 42 1 7 "Average Difference" HN 16 0.263 -0.012 0.271 18938 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18938 44 1 8 "Average Difference" HA 18 0.240 0.053 0.241 18938 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18938 46 1 8 "Average Difference" CA 16 1.612 0.177 1.655 18938 47 1 8 "Average Difference" CB 14 9.804 -5.470 8.444 18938 48 1 8 "Average Difference" HN 16 0.300 -0.011 0.310 18938 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18938 50 1 9 "Average Difference" HA 18 0.295 -0.165 0.252 18938 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18938 52 1 9 "Average Difference" CA 16 1.653 0.599 1.591 18938 53 1 9 "Average Difference" CB 14 10.243 -6.805 7.944 18938 54 1 9 "Average Difference" HN 16 0.284 -0.036 0.291 18938 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18938 56 1 10 "Average Difference" HA 18 0.256 -0.122 0.231 18938 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18938 58 1 10 "Average Difference" CA 16 1.631 0.541 1.590 18938 59 1 10 "Average Difference" CB 14 10.390 -6.664 8.272 18938 60 1 10 "Average Difference" HN 16 0.336 -0.125 0.322 18938 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18938 62 1 11 "Average Difference" HA 18 0.267 -0.062 0.267 18938 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18938 64 1 11 "Average Difference" CA 16 1.750 0.347 1.772 18938 65 1 11 "Average Difference" CB 14 10.022 -5.811 8.473 18938 66 1 11 "Average Difference" HN 16 0.296 0.018 0.305 18938 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18938 68 1 12 "Average Difference" HA 18 0.210 0.005 0.216 18938 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18938 70 1 12 "Average Difference" CA 16 1.717 0.184 1.763 18938 71 1 12 "Average Difference" CB 14 10.310 -6.052 8.662 18938 72 1 12 "Average Difference" HN 16 0.298 -0.054 0.303 18938 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18938 74 1 13 "Average Difference" HA 18 0.207 -0.010 0.213 18938 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18938 76 1 13 "Average Difference" CA 16 1.621 0.439 1.612 18938 77 1 13 "Average Difference" CB 14 9.637 -5.954 7.864 18938 78 1 13 "Average Difference" HN 16 0.319 0.025 0.329 18938 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18938 80 1 14 "Average Difference" HA 18 0.268 -0.073 0.265 18938 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18938 82 1 14 "Average Difference" CA 16 1.645 0.483 1.625 18938 83 1 14 "Average Difference" CB 14 10.546 -6.499 8.619 18938 84 1 14 "Average Difference" HN 16 0.313 -0.131 0.293 18938 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18938 86 1 15 "Average Difference" HA 18 0.256 -0.066 0.255 18938 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18938 88 1 15 "Average Difference" CA 16 1.894 0.352 1.922 18938 89 1 15 "Average Difference" CB 14 10.439 -6.715 8.294 18938 90 1 15 "Average Difference" HN 16 0.285 0.002 0.295 18938 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18938 92 1 16 "Average Difference" HA 18 0.231 -0.030 0.236 18938 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18938 94 1 16 "Average Difference" CA 16 1.428 0.482 1.389 18938 95 1 16 "Average Difference" CB 14 9.816 -5.683 8.306 18938 96 1 16 "Average Difference" HN 16 0.358 -0.022 0.369 18938 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18938 98 1 17 "Average Difference" HA 18 0.230 -0.051 0.231 18938 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18938 100 1 17 "Average Difference" CA 16 1.717 0.511 1.693 18938 101 1 17 "Average Difference" CB 14 10.616 -6.599 8.630 18938 102 1 17 "Average Difference" HN 16 0.304 -0.060 0.308 18938 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18938 104 1 18 "Average Difference" HA 18 0.293 -0.118 0.276 18938 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18938 106 1 18 "Average Difference" CA 16 1.574 0.375 1.579 18938 107 1 18 "Average Difference" CB 14 9.822 -6.183 7.920 18938 108 1 18 "Average Difference" HN 16 0.332 -0.060 0.337 18938 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18938 110 1 19 "Average Difference" HA 18 0.255 0.020 0.262 18938 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18938 112 1 19 "Average Difference" CA 16 1.484 0.347 1.491 18938 113 1 19 "Average Difference" CB 14 9.752 -5.814 8.125 18938 114 1 19 "Average Difference" HN 16 0.310 -0.051 0.316 18938 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18938 116 1 20 "Average Difference" HA 18 0.227 0.018 0.233 18938 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18938 118 1 20 "Average Difference" CA 16 1.571 0.565 1.514 18938 119 1 20 "Average Difference" CB 14 10.208 -6.244 8.380 18938 120 1 20 "Average Difference" HN 16 0.239 0.000 0.247 18938 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 18938 _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 CYS HA H 2 5.160 5.160 5.022 0.138 18938 2 1 . 1 1 2 2 CYS CA C 2 56.212 56.212 57.966 -1.754 18938 3 1 . 1 1 2 2 CYS CB C 2 44.855 44.855 28.485 16.370 18938 4 1 . 1 1 2 2 CYS H H 2 9.120 9.120 8.539 0.581 18938 5 1 . 1 1 3 3 VAL HA H 3 4.270 4.270 4.430 -0.160 18938 6 1 . 1 1 3 3 VAL CA C 3 61.928 61.928 61.318 0.610 18938 7 1 . 1 1 3 3 VAL CB C 3 33.852 33.852 34.233 -0.380 18938 8 1 . 1 1 3 3 VAL H H 3 8.641 8.641 9.065 -0.424 18938 9 1 . 1 1 4 4 CYS HA H 4 5.380 5.380 5.461 -0.081 18938 10 1 . 1 1 4 4 CYS CA C 4 55.303 55.303 57.681 -2.378 18938 11 1 . 1 1 4 4 CYS CB C 4 46.302 46.302 28.473 17.829 18938 12 1 . 1 1 4 4 CYS H H 4 8.982 8.982 8.899 0.083 18938 13 1 . 1 1 5 5 ARG HA H 5 4.483 4.483 4.543 -0.060 18938 14 1 . 1 1 5 5 ARG CA C 5 55.816 55.816 55.377 0.440 18938 15 1 . 1 1 5 5 ARG CB C 5 32.319 32.319 32.285 0.034 18938 16 1 . 1 1 5 5 ARG H H 5 8.689 8.689 9.032 -0.343 18938 17 1 . 1 1 6 6 ARG HA H 6 4.021 4.021 4.029 -0.007 18938 18 1 . 1 1 6 6 ARG CA C 6 56.806 56.806 56.827 -0.021 18938 19 1 . 1 1 6 6 ARG CB C 6 28.812 28.812 28.646 0.166 18938 20 1 . 1 1 6 6 ARG H H 6 9.216 9.216 9.286 -0.070 18938 21 1 . 1 1 7 7 GLY CA C 7 45.197 45.197 44.871 0.326 18938 22 1 . 1 1 7 7 GLY H H 7 8.645 8.645 8.344 0.301 18938 23 1 . 1 1 8 8 VAL HA H 8 4.215 4.215 4.223 -0.008 18938 24 1 . 1 1 8 8 VAL CA C 8 62.144 62.144 61.925 0.219 18938 25 1 . 1 1 8 8 VAL CB C 8 33.034 33.034 32.119 0.915 18938 26 1 . 1 1 8 8 VAL H H 8 7.899 7.899 7.620 0.279 18938 27 1 . 1 1 9 9 CYS HA H 9 5.254 5.254 5.219 0.035 18938 28 1 . 1 1 9 9 CYS CA C 9 55.055 55.055 58.122 -3.067 18938 29 1 . 1 1 9 9 CYS CB C 9 44.978 44.978 27.275 17.703 18938 30 1 . 1 1 9 9 CYS H H 9 8.983 8.983 8.844 0.139 18938 31 1 . 1 1 10 10 ARG HA H 10 4.635 4.635 4.733 -0.098 18938 32 1 . 1 1 10 10 ARG CA C 10 56.114 56.114 54.847 1.267 18938 33 1 . 1 1 10 10 ARG CB C 10 31.660 31.660 32.712 -1.052 18938 34 1 . 1 1 10 10 ARG H H 10 8.755 8.755 9.190 -0.435 18938 35 1 . 1 1 11 11 CYS HA H 11 5.157 5.157 4.885 0.272 18938 36 1 . 1 1 11 11 CYS CA C 11 55.303 55.303 58.117 -2.814 18938 37 1 . 1 1 11 11 CYS CB C 11 44.671 44.671 28.062 16.609 18938 38 1 . 1 1 11 11 CYS H H 11 8.882 8.882 8.908 -0.026 18938 39 1 . 1 1 12 12 VAL HA H 12 4.206 4.206 4.248 -0.042 18938 40 1 . 1 1 12 12 VAL CA C 12 62.144 62.144 62.186 -0.042 18938 41 1 . 1 1 12 12 VAL CB C 12 33.336 33.336 32.108 1.228 18938 42 1 . 1 1 12 12 VAL H H 12 8.356 8.356 8.417 -0.061 18938 43 1 . 1 1 13 13 CYS HA H 13 4.934 4.934 4.801 0.133 18938 44 1 . 1 1 13 13 CYS CA C 13 55.510 55.510 57.720 -2.210 18938 45 1 . 1 1 13 13 CYS CB C 13 44.711 44.711 29.426 15.285 18938 46 1 . 1 1 13 13 CYS H H 13 8.747 8.747 8.439 0.307 18938 47 1 . 1 1 14 14 ARG HA H 14 4.335 4.335 4.531 -0.196 18938 48 1 . 1 1 14 14 ARG CA C 14 56.741 56.741 54.367 2.374 18938 49 1 . 1 1 14 14 ARG CB C 14 30.988 30.988 31.090 -0.102 18938 50 1 . 1 1 14 14 ARG H H 14 8.681 8.681 8.625 0.056 18938 51 1 . 1 1 15 15 ARG HA H 15 4.133 4.133 4.060 0.073 18938 52 1 . 1 1 15 15 ARG CA C 15 56.698 56.698 56.876 -0.178 18938 53 1 . 1 1 15 15 ARG CB C 15 29.558 29.558 28.460 1.098 18938 54 1 . 1 1 15 15 ARG H H 15 8.754 8.754 8.892 -0.138 18938 55 1 . 1 1 16 16 GLY CA C 16 45.326 45.326 45.157 0.170 18938 56 1 . 1 1 16 16 GLY H H 16 8.435 8.435 8.547 -0.112 18938 57 1 . 1 1 17 17 VAL HA H 17 4.186 4.186 4.350 -0.164 18938 58 1 . 1 1 17 17 VAL CA C 17 62.445 62.445 61.838 0.607 18938 59 1 . 1 1 17 17 VAL CB C 17 32.874 32.874 31.249 1.625 18938 60 1 . 1 1 17 17 VAL H H 17 7.879 7.879 7.733 0.146 18938 stop_ save_