data_19103 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19103 _Entry.PDB_ID 2M62 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 19103 _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 VAL HA H 2 4.520 4.520 4.446 0.074 19103 2 1 1 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.609 -1.209 19103 3 1 1 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.129 -1.189 19103 4 1 1 . 1 1 2 2 VAL H H 2 8.430 8.430 8.270 0.160 19103 5 1 1 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.510 0.370 19103 6 1 1 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.770 -0.800 19103 7 1 1 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.359 10.341 19103 8 1 1 . 1 1 3 3 CYS H H 3 8.630 8.630 8.277 0.353 19103 9 1 1 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 10 1 1 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.096 -4.295 19103 11 1 1 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.139 19.831 19103 12 1 1 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 13 1 1 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.178 -3.348 19103 14 1 1 . 1 1 5 5 GLY H H 5 8.790 8.790 8.605 0.185 19103 15 1 1 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.766 0.054 19103 16 1 1 . 1 1 6 6 VAL CA C 6 63.220 63.220 64.114 -0.894 19103 17 1 1 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.677 -0.477 19103 18 1 1 . 1 1 6 6 VAL H H 6 8.250 8.250 8.680 -0.430 19103 19 1 1 . 1 1 7 7 SER HA H 7 4.480 4.480 4.149 0.331 19103 20 1 1 . 1 1 7 7 SER CA C 7 57.600 57.600 59.302 -1.702 19103 21 1 1 . 1 1 7 7 SER CB C 7 63.210 63.210 62.333 0.877 19103 22 1 1 . 1 1 7 7 SER H H 7 7.790 7.790 8.460 -0.670 19103 23 1 1 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.831 0.019 19103 24 1 1 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.678 -1.878 19103 25 1 1 . 1 1 8 8 PHE H H 8 7.190 7.190 7.497 -0.307 19103 26 1 1 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 27 1 1 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.311 19103 28 1 1 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.313 18.017 19103 29 1 1 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 30 1 2 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.498 0.022 19103 31 1 2 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.406 -1.006 19103 32 1 2 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.097 -1.157 19103 33 1 2 . 1 1 2 2 VAL H H 2 8.430 8.430 8.272 0.158 19103 34 1 2 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.503 0.377 19103 35 1 2 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.759 -0.789 19103 36 1 2 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.300 10.400 19103 37 1 2 . 1 1 3 3 CYS H H 3 8.630 8.630 8.279 0.351 19103 38 1 2 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 39 1 2 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.097 -4.297 19103 40 1 2 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.141 19.829 19103 41 1 2 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 42 1 2 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.165 -3.335 19103 43 1 2 . 1 1 5 5 GLY H H 5 8.790 8.790 8.609 0.181 19103 44 1 2 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.750 0.070 19103 45 1 2 . 1 1 6 6 VAL CA C 6 63.220 63.220 64.172 -0.952 19103 46 1 2 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.965 -0.765 19103 47 1 2 . 1 1 6 6 VAL H H 6 8.250 8.250 8.679 -0.429 19103 48 1 2 . 1 1 7 7 SER HA H 7 4.480 4.480 4.190 0.290 19103 49 1 2 . 1 1 7 7 SER CA C 7 57.600 57.600 59.522 -1.922 19103 50 1 2 . 1 1 7 7 SER CB C 7 63.210 63.210 62.234 0.976 19103 51 1 2 . 1 1 7 7 SER H H 7 7.790 7.790 8.523 -0.733 19103 52 1 2 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.809 0.041 19103 53 1 2 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.800 -2.000 19103 54 1 2 . 1 1 8 8 PHE H H 8 7.190 7.190 7.527 -0.337 19103 55 1 2 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 56 1 2 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 57 1 2 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.305 18.025 19103 58 1 2 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 59 1 3 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.543 -0.023 19103 60 1 3 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.562 -1.162 19103 61 1 3 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.446 -1.506 19103 62 1 3 . 1 1 2 2 VAL H H 2 8.430 8.430 8.243 0.187 19103 63 1 3 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.502 0.378 19103 64 1 3 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.833 -0.863 19103 65 1 3 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.136 10.564 19103 66 1 3 . 1 1 3 3 CYS H H 3 8.630 8.630 8.296 0.334 19103 67 1 3 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 68 1 3 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.098 -4.298 19103 69 1 3 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.139 19.831 19103 70 1 3 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 71 1 3 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.242 -3.413 19103 72 1 3 . 1 1 5 5 GLY H H 5 8.790 8.790 8.489 0.301 19103 73 1 3 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.838 -0.018 19103 74 1 3 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.576 -0.356 19103 75 1 3 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.872 -0.672 19103 76 1 3 . 1 1 6 6 VAL H H 6 8.250 8.250 8.529 -0.279 19103 77 1 3 . 1 1 7 7 SER HA H 7 4.480 4.480 4.190 0.290 19103 78 1 3 . 1 1 7 7 SER CA C 7 57.600 57.600 59.744 -2.144 19103 79 1 3 . 1 1 7 7 SER CB C 7 63.210 63.210 61.971 1.239 19103 80 1 3 . 1 1 7 7 SER H H 7 7.790 7.790 8.589 -0.799 19103 81 1 3 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.806 0.044 19103 82 1 3 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.858 -2.058 19103 83 1 3 . 1 1 8 8 PHE H H 8 7.190 7.190 7.541 -0.351 19103 84 1 3 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 85 1 3 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 86 1 3 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.305 18.025 19103 87 1 3 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 88 1 4 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.644 -0.124 19103 89 1 4 . 1 1 2 2 VAL CA C 2 60.400 60.400 60.934 -0.534 19103 90 1 4 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.335 -1.395 19103 91 1 4 . 1 1 2 2 VAL H H 2 8.430 8.430 8.160 0.270 19103 92 1 4 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.465 0.415 19103 93 1 4 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.738 -0.768 19103 94 1 4 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.527 10.173 19103 95 1 4 . 1 1 3 3 CYS H H 3 8.630 8.630 8.267 0.363 19103 96 1 4 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 97 1 4 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.103 -4.303 19103 98 1 4 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.135 19.835 19103 99 1 4 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 100 1 4 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.120 -3.290 19103 101 1 4 . 1 1 5 5 GLY H H 5 8.790 8.790 8.478 0.312 19103 102 1 4 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.668 0.152 19103 103 1 4 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.912 -0.692 19103 104 1 4 . 1 1 6 6 VAL CB C 6 30.200 30.200 31.001 -0.801 19103 105 1 4 . 1 1 6 6 VAL H H 6 8.250 8.250 8.645 -0.395 19103 106 1 4 . 1 1 7 7 SER HA H 7 4.480 4.480 4.179 0.301 19103 107 1 4 . 1 1 7 7 SER CA C 7 57.600 57.600 59.454 -1.854 19103 108 1 4 . 1 1 7 7 SER CB C 7 63.210 63.210 62.297 0.913 19103 109 1 4 . 1 1 7 7 SER H H 7 7.790 7.790 8.459 -0.669 19103 110 1 4 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.819 0.031 19103 111 1 4 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.733 -1.933 19103 112 1 4 . 1 1 8 8 PHE H H 8 7.190 7.190 7.511 -0.321 19103 113 1 4 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 114 1 4 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 115 1 4 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.302 18.028 19103 116 1 4 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 117 1 6 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.598 -0.078 19103 118 1 6 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.239 -0.839 19103 119 1 6 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.407 -1.467 19103 120 1 6 . 1 1 2 2 VAL H H 2 8.430 8.430 8.209 0.221 19103 121 1 6 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.495 0.385 19103 122 1 6 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.834 -0.864 19103 123 1 6 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.099 10.601 19103 124 1 6 . 1 1 3 3 CYS H H 3 8.630 8.630 8.297 0.333 19103 125 1 6 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.425 0.715 19103 126 1 6 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.099 -4.299 19103 127 1 6 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.133 19.837 19103 128 1 6 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 129 1 6 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.236 -3.406 19103 130 1 6 . 1 1 5 5 GLY H H 5 8.790 8.790 8.480 0.310 19103 131 1 6 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.818 0.002 19103 132 1 6 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.596 -0.376 19103 133 1 6 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.839 -0.639 19103 134 1 6 . 1 1 6 6 VAL H H 6 8.250 8.250 8.559 -0.309 19103 135 1 6 . 1 1 7 7 SER HA H 7 4.480 4.480 4.187 0.293 19103 136 1 6 . 1 1 7 7 SER CA C 7 57.600 57.600 59.741 -2.141 19103 137 1 6 . 1 1 7 7 SER CB C 7 63.210 63.210 62.145 1.065 19103 138 1 6 . 1 1 7 7 SER H H 7 7.790 7.790 8.576 -0.786 19103 139 1 6 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.805 0.045 19103 140 1 6 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.846 -2.046 19103 141 1 6 . 1 1 8 8 PHE H H 8 7.190 7.190 7.537 -0.347 19103 142 1 6 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 143 1 6 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.312 19103 144 1 6 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.306 18.024 19103 145 1 6 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 146 1 7 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.448 0.072 19103 147 1 7 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.872 -1.472 19103 148 1 7 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.573 -1.633 19103 149 1 7 . 1 1 2 2 VAL H H 2 8.430 8.430 8.214 0.216 19103 150 1 7 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.516 0.364 19103 151 1 7 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.845 -0.875 19103 152 1 7 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.223 10.477 19103 153 1 7 . 1 1 3 3 CYS H H 3 8.630 8.630 8.289 0.341 19103 154 1 7 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 155 1 7 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.096 -4.296 19103 156 1 7 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.142 19.828 19103 157 1 7 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 158 1 7 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.138 -3.308 19103 159 1 7 . 1 1 5 5 GLY H H 5 8.790 8.790 8.613 0.177 19103 160 1 7 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.746 0.074 19103 161 1 7 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.928 -0.708 19103 162 1 7 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.862 -0.662 19103 163 1 7 . 1 1 6 6 VAL H H 6 8.250 8.250 8.643 -0.393 19103 164 1 7 . 1 1 7 7 SER HA H 7 4.480 4.480 4.163 0.317 19103 165 1 7 . 1 1 7 7 SER CA C 7 57.600 57.600 59.488 -1.888 19103 166 1 7 . 1 1 7 7 SER CB C 7 63.210 63.210 62.288 0.922 19103 167 1 7 . 1 1 7 7 SER H H 7 7.790 7.790 8.466 -0.676 19103 168 1 7 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.832 0.018 19103 169 1 7 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.677 -1.877 19103 170 1 7 . 1 1 8 8 PHE H H 8 7.190 7.190 7.503 -0.313 19103 171 1 7 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 172 1 7 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.311 19103 173 1 7 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.312 18.018 19103 174 1 7 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 175 1 8 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.457 0.063 19103 176 1 8 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.570 -1.170 19103 177 1 8 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.138 -1.198 19103 178 1 8 . 1 1 2 2 VAL H H 2 8.430 8.430 8.271 0.159 19103 179 1 8 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.509 0.371 19103 180 1 8 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.768 -0.798 19103 181 1 8 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.343 10.357 19103 182 1 8 . 1 1 3 3 CYS H H 3 8.630 8.630 8.277 0.353 19103 183 1 8 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 184 1 8 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.095 -4.295 19103 185 1 8 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.142 19.828 19103 186 1 8 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 187 1 8 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.239 -3.409 19103 188 1 8 . 1 1 5 5 GLY H H 5 8.790 8.790 8.486 0.304 19103 189 1 8 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.796 0.024 19103 190 1 8 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.697 -0.477 19103 191 1 8 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.614 -0.414 19103 192 1 8 . 1 1 6 6 VAL H H 6 8.250 8.250 8.630 -0.380 19103 193 1 8 . 1 1 7 7 SER HA H 7 4.480 4.480 4.168 0.312 19103 194 1 8 . 1 1 7 7 SER CA C 7 57.600 57.600 59.585 -1.985 19103 195 1 8 . 1 1 7 7 SER CB C 7 63.210 63.210 62.333 0.877 19103 196 1 8 . 1 1 7 7 SER H H 7 7.790 7.790 8.524 -0.734 19103 197 1 8 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.811 0.039 19103 198 1 8 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.783 -1.983 19103 199 1 8 . 1 1 8 8 PHE H H 8 7.190 7.190 7.524 -0.334 19103 200 1 8 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 201 1 8 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 202 1 8 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.308 18.022 19103 203 1 8 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 204 1 9 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.578 -0.058 19103 205 1 9 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.333 -0.933 19103 206 1 9 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.482 -1.542 19103 207 1 9 . 1 1 2 2 VAL H H 2 8.430 8.430 8.187 0.243 19103 208 1 9 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.501 0.379 19103 209 1 9 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.835 -0.865 19103 210 1 9 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.111 10.589 19103 211 1 9 . 1 1 3 3 CYS H H 3 8.630 8.630 8.296 0.334 19103 212 1 9 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 213 1 9 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.103 -4.303 19103 214 1 9 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.140 19.830 19103 215 1 9 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 216 1 9 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.124 -3.294 19103 217 1 9 . 1 1 5 5 GLY H H 5 8.790 8.790 8.475 0.315 19103 218 1 9 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.677 0.143 19103 219 1 9 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.901 -0.681 19103 220 1 9 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.944 -0.744 19103 221 1 9 . 1 1 6 6 VAL H H 6 8.250 8.250 8.644 -0.394 19103 222 1 9 . 1 1 7 7 SER HA H 7 4.480 4.480 4.169 0.311 19103 223 1 9 . 1 1 7 7 SER CA C 7 57.600 57.600 59.392 -1.792 19103 224 1 9 . 1 1 7 7 SER CB C 7 63.210 63.210 62.304 0.905 19103 225 1 9 . 1 1 7 7 SER H H 7 7.790 7.790 8.435 -0.645 19103 226 1 9 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.824 0.026 19103 227 1 9 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.707 -1.907 19103 228 1 9 . 1 1 8 8 PHE H H 8 7.190 7.190 7.504 -0.314 19103 229 1 9 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 230 1 9 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.311 19103 231 1 9 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.308 18.021 19103 232 1 9 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 233 1 10 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.545 -0.025 19103 234 1 10 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.313 -0.913 19103 235 1 10 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.182 -1.242 19103 236 1 10 . 1 1 2 2 VAL H H 2 8.430 8.430 8.268 0.162 19103 237 1 10 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.488 0.392 19103 238 1 10 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.736 -0.766 19103 239 1 10 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.410 10.290 19103 240 1 10 . 1 1 3 3 CYS H H 3 8.630 8.630 8.277 0.353 19103 241 1 10 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.423 0.717 19103 242 1 10 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.099 -4.299 19103 243 1 10 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.132 19.838 19103 244 1 10 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 245 1 10 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.185 -3.355 19103 246 1 10 . 1 1 5 5 GLY H H 5 8.790 8.790 8.599 0.191 19103 247 1 10 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.783 0.037 19103 248 1 10 . 1 1 6 6 VAL CA C 6 63.220 63.220 64.096 -0.876 19103 249 1 10 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.670 -0.470 19103 250 1 10 . 1 1 6 6 VAL H H 6 8.250 8.250 8.659 -0.409 19103 251 1 10 . 1 1 7 7 SER HA H 7 4.480 4.480 4.148 0.332 19103 252 1 10 . 1 1 7 7 SER CA C 7 57.600 57.600 59.380 -1.780 19103 253 1 10 . 1 1 7 7 SER CB C 7 63.210 63.210 62.331 0.878 19103 254 1 10 . 1 1 7 7 SER H H 7 7.790 7.790 8.465 -0.675 19103 255 1 10 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.831 0.019 19103 256 1 10 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.673 -1.873 19103 257 1 10 . 1 1 8 8 PHE H H 8 7.190 7.190 7.498 -0.308 19103 258 1 10 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 259 1 10 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.153 -2.313 19103 260 1 10 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.299 18.031 19103 261 1 10 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 262 1 12 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.545 -0.025 19103 263 1 12 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.609 -1.209 19103 264 1 12 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.569 -1.629 19103 265 1 12 . 1 1 2 2 VAL H H 2 8.430 8.430 8.046 0.384 19103 266 1 12 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.503 0.377 19103 267 1 12 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.853 -0.883 19103 268 1 12 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.218 10.482 19103 269 1 12 . 1 1 3 3 CYS H H 3 8.630 8.630 8.299 0.331 19103 270 1 12 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 271 1 12 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.097 -4.297 19103 272 1 12 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.138 19.832 19103 273 1 12 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 274 1 12 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.102 -3.272 19103 275 1 12 . 1 1 5 5 GLY H H 5 8.790 8.790 8.503 0.287 19103 276 1 12 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.660 0.160 19103 277 1 12 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.812 -0.592 19103 278 1 12 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.964 -0.764 19103 279 1 12 . 1 1 6 6 VAL H H 6 8.250 8.250 8.646 -0.396 19103 280 1 12 . 1 1 7 7 SER HA H 7 4.480 4.480 4.168 0.312 19103 281 1 12 . 1 1 7 7 SER CA C 7 57.600 57.600 59.340 -1.740 19103 282 1 12 . 1 1 7 7 SER CB C 7 63.210 63.210 62.288 0.922 19103 283 1 12 . 1 1 7 7 SER H H 7 7.790 7.790 8.415 -0.625 19103 284 1 12 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.828 0.022 19103 285 1 12 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.692 -1.892 19103 286 1 12 . 1 1 8 8 PHE H H 8 7.190 7.190 7.499 -0.309 19103 287 1 12 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 288 1 12 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 289 1 12 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.307 18.023 19103 290 1 12 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 291 1 13 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.509 0.011 19103 292 1 13 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.328 -0.928 19103 293 1 13 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.164 -1.224 19103 294 1 13 . 1 1 2 2 VAL H H 2 8.430 8.430 8.266 0.164 19103 295 1 13 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.503 0.377 19103 296 1 13 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.754 -0.784 19103 297 1 13 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.318 10.382 19103 298 1 13 . 1 1 3 3 CYS H H 3 8.630 8.630 8.276 0.354 19103 299 1 13 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 300 1 13 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.099 -4.299 19103 301 1 13 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.142 19.828 19103 302 1 13 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 303 1 13 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.123 -3.293 19103 304 1 13 . 1 1 5 5 GLY H H 5 8.790 8.790 8.611 0.179 19103 305 1 13 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.733 0.087 19103 306 1 13 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.843 -0.623 19103 307 1 13 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.939 -0.738 19103 308 1 13 . 1 1 6 6 VAL H H 6 8.250 8.250 8.629 -0.379 19103 309 1 13 . 1 1 7 7 SER HA H 7 4.480 4.480 4.169 0.311 19103 310 1 13 . 1 1 7 7 SER CA C 7 57.600 57.600 59.567 -1.967 19103 311 1 13 . 1 1 7 7 SER CB C 7 63.210 63.210 62.256 0.954 19103 312 1 13 . 1 1 7 7 SER H H 7 7.790 7.790 8.468 -0.678 19103 313 1 13 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.831 0.019 19103 314 1 13 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.684 -1.884 19103 315 1 13 . 1 1 8 8 PHE H H 8 7.190 7.190 7.507 -0.317 19103 316 1 13 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 317 1 13 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 318 1 13 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.309 18.021 19103 319 1 13 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 320 1 14 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.460 0.060 19103 321 1 14 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.550 -1.150 19103 322 1 14 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.190 -1.250 19103 323 1 14 . 1 1 2 2 VAL H H 2 8.430 8.430 8.260 0.170 19103 324 1 14 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.509 0.371 19103 325 1 14 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.769 -0.799 19103 326 1 14 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.351 10.349 19103 327 1 14 . 1 1 3 3 CYS H H 3 8.630 8.630 8.277 0.353 19103 328 1 14 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 329 1 14 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.096 -4.296 19103 330 1 14 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.138 19.832 19103 331 1 14 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 332 1 14 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.239 -3.409 19103 333 1 14 . 1 1 5 5 GLY H H 5 8.790 8.790 8.484 0.306 19103 334 1 14 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.791 0.029 19103 335 1 14 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.708 -0.488 19103 336 1 14 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.533 -0.333 19103 337 1 14 . 1 1 6 6 VAL H H 6 8.250 8.250 8.647 -0.397 19103 338 1 14 . 1 1 7 7 SER HA H 7 4.480 4.480 4.160 0.320 19103 339 1 14 . 1 1 7 7 SER CA C 7 57.600 57.600 59.509 -1.909 19103 340 1 14 . 1 1 7 7 SER CB C 7 63.210 63.210 62.357 0.853 19103 341 1 14 . 1 1 7 7 SER H H 7 7.790 7.790 8.501 -0.711 19103 342 1 14 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.816 0.034 19103 343 1 14 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.752 -1.952 19103 344 1 14 . 1 1 8 8 PHE H H 8 7.190 7.190 7.516 -0.326 19103 345 1 14 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 346 1 14 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.153 -2.313 19103 347 1 14 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.309 18.021 19103 348 1 14 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 349 1 15 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.573 -0.053 19103 350 1 15 . 1 1 2 2 VAL CA C 2 60.400 60.400 60.865 -0.465 19103 351 1 15 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.411 -1.471 19103 352 1 15 . 1 1 2 2 VAL H H 2 8.430 8.430 8.179 0.251 19103 353 1 15 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.477 0.403 19103 354 1 15 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.780 -0.810 19103 355 1 15 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.496 10.204 19103 356 1 15 . 1 1 3 3 CYS H H 3 8.630 8.630 8.277 0.353 19103 357 1 15 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.423 0.717 19103 358 1 15 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.097 -4.297 19103 359 1 15 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.134 19.835 19103 360 1 15 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 361 1 15 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.236 -3.406 19103 362 1 15 . 1 1 5 5 GLY H H 5 8.790 8.790 8.481 0.309 19103 363 1 15 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.817 0.003 19103 364 1 15 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.474 -0.254 19103 365 1 15 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.548 -0.348 19103 366 1 15 . 1 1 6 6 VAL H H 6 8.250 8.250 8.563 -0.313 19103 367 1 15 . 1 1 7 7 SER HA H 7 4.480 4.480 4.151 0.329 19103 368 1 15 . 1 1 7 7 SER CA C 7 57.600 57.600 59.748 -2.148 19103 369 1 15 . 1 1 7 7 SER CB C 7 63.210 63.210 62.314 0.896 19103 370 1 15 . 1 1 7 7 SER H H 7 7.790 7.790 8.475 -0.685 19103 371 1 15 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.832 0.018 19103 372 1 15 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.684 -1.884 19103 373 1 15 . 1 1 8 8 PHE H H 8 7.190 7.190 7.507 -0.317 19103 374 1 15 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 375 1 15 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 376 1 15 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.300 18.030 19103 377 1 15 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 378 1 16 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.471 0.049 19103 379 1 16 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.477 -1.077 19103 380 1 16 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.377 -1.437 19103 381 1 16 . 1 1 2 2 VAL H H 2 8.430 8.430 8.228 0.202 19103 382 1 16 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.477 0.403 19103 383 1 16 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.763 -0.792 19103 384 1 16 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.607 10.093 19103 385 1 16 . 1 1 3 3 CYS H H 3 8.630 8.630 8.263 0.367 19103 386 1 16 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.423 0.717 19103 387 1 16 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.097 -4.297 19103 388 1 16 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.141 19.829 19103 389 1 16 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 390 1 16 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.187 -3.357 19103 391 1 16 . 1 1 5 5 GLY H H 5 8.790 8.790 8.597 0.193 19103 392 1 16 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.759 0.061 19103 393 1 16 . 1 1 6 6 VAL CA C 6 63.220 63.220 64.222 -1.002 19103 394 1 16 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.702 -0.502 19103 395 1 16 . 1 1 6 6 VAL H H 6 8.250 8.250 8.706 -0.456 19103 396 1 16 . 1 1 7 7 SER HA H 7 4.480 4.480 4.159 0.321 19103 397 1 16 . 1 1 7 7 SER CA C 7 57.600 57.600 59.307 -1.708 19103 398 1 16 . 1 1 7 7 SER CB C 7 63.210 63.210 62.325 0.885 19103 399 1 16 . 1 1 7 7 SER H H 7 7.790 7.790 8.482 -0.693 19103 400 1 16 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.820 0.030 19103 401 1 16 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.725 -1.925 19103 402 1 16 . 1 1 8 8 PHE H H 8 7.190 7.190 7.509 -0.319 19103 403 1 16 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 404 1 16 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 405 1 16 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.312 18.018 19103 406 1 16 . 1 1 9 9 CYS H H 9 8.800 8.800 8.601 0.199 19103 407 1 17 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.558 -0.038 19103 408 1 17 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.243 -0.843 19103 409 1 17 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.508 -1.568 19103 410 1 17 . 1 1 2 2 VAL H H 2 8.430 8.430 8.143 0.287 19103 411 1 17 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.471 0.409 19103 412 1 17 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.751 -0.781 19103 413 1 17 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.568 10.132 19103 414 1 17 . 1 1 3 3 CYS H H 3 8.630 8.630 8.266 0.364 19103 415 1 17 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 416 1 17 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.096 -4.296 19103 417 1 17 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.139 19.831 19103 418 1 17 . 1 1 4 4 CYS H H 4 8.790 8.790 8.929 -0.139 19103 419 1 17 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.224 -3.394 19103 420 1 17 . 1 1 5 5 GLY H H 5 8.790 8.790 8.465 0.325 19103 421 1 17 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.817 0.003 19103 422 1 17 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.469 -0.249 19103 423 1 17 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.875 -0.675 19103 424 1 17 . 1 1 6 6 VAL H H 6 8.250 8.250 8.488 -0.238 19103 425 1 17 . 1 1 7 7 SER HA H 7 4.480 4.480 4.185 0.295 19103 426 1 17 . 1 1 7 7 SER CA C 7 57.600 57.600 59.864 -2.264 19103 427 1 17 . 1 1 7 7 SER CB C 7 63.210 63.210 61.970 1.240 19103 428 1 17 . 1 1 7 7 SER H H 7 7.790 7.790 8.567 -0.777 19103 429 1 17 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.817 0.033 19103 430 1 17 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.792 -1.992 19103 431 1 17 . 1 1 8 8 PHE H H 8 7.190 7.190 7.537 -0.347 19103 432 1 17 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 433 1 17 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 434 1 17 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.310 18.020 19103 435 1 17 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 436 1 18 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.598 -0.078 19103 437 1 18 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.160 -0.760 19103 438 1 18 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.378 -1.438 19103 439 1 18 . 1 1 2 2 VAL H H 2 8.430 8.430 8.216 0.214 19103 440 1 18 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.466 0.414 19103 441 1 18 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.742 -0.772 19103 442 1 18 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.530 10.170 19103 443 1 18 . 1 1 3 3 CYS H H 3 8.630 8.630 8.267 0.363 19103 444 1 18 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 445 1 18 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.099 -4.298 19103 446 1 18 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.139 19.831 19103 447 1 18 . 1 1 4 4 CYS H H 4 8.790 8.790 8.929 -0.139 19103 448 1 18 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.229 -3.399 19103 449 1 18 . 1 1 5 5 GLY H H 5 8.790 8.790 8.469 0.321 19103 450 1 18 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.792 0.028 19103 451 1 18 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.630 -0.410 19103 452 1 18 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.480 -0.280 19103 453 1 18 . 1 1 6 6 VAL H H 6 8.250 8.250 8.633 -0.383 19103 454 1 18 . 1 1 7 7 SER HA H 7 4.480 4.480 4.144 0.336 19103 455 1 18 . 1 1 7 7 SER CA C 7 57.600 57.600 59.443 -1.843 19103 456 1 18 . 1 1 7 7 SER CB C 7 63.210 63.210 62.366 0.844 19103 457 1 18 . 1 1 7 7 SER H H 7 7.790 7.790 8.445 -0.655 19103 458 1 18 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.830 0.020 19103 459 1 18 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.684 -1.884 19103 460 1 18 . 1 1 8 8 PHE H H 8 7.190 7.190 7.498 -0.308 19103 461 1 18 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 462 1 18 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 463 1 18 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.303 18.026 19103 464 1 18 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 465 1 19 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.627 -0.107 19103 466 1 19 . 1 1 2 2 VAL CA C 2 60.400 60.400 60.932 -0.532 19103 467 1 19 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.416 -1.476 19103 468 1 19 . 1 1 2 2 VAL H H 2 8.430 8.430 8.166 0.264 19103 469 1 19 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.468 0.412 19103 470 1 19 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.739 -0.769 19103 471 1 19 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.529 10.171 19103 472 1 19 . 1 1 3 3 CYS H H 3 8.630 8.630 8.264 0.366 19103 473 1 19 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.425 0.715 19103 474 1 19 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.102 -4.302 19103 475 1 19 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.137 19.833 19103 476 1 19 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 477 1 19 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.170 -3.340 19103 478 1 19 . 1 1 5 5 GLY H H 5 8.790 8.790 8.607 0.183 19103 479 1 19 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.807 0.013 19103 480 1 19 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.957 -0.737 19103 481 1 19 . 1 1 6 6 VAL CB C 6 30.200 30.200 31.024 -0.824 19103 482 1 19 . 1 1 6 6 VAL H H 6 8.250 8.250 8.575 -0.325 19103 483 1 19 . 1 1 7 7 SER HA H 7 4.480 4.480 4.192 0.288 19103 484 1 19 . 1 1 7 7 SER CA C 7 57.600 57.600 59.781 -2.181 19103 485 1 19 . 1 1 7 7 SER CB C 7 63.210 63.210 61.889 1.321 19103 486 1 19 . 1 1 7 7 SER H H 7 7.790 7.790 8.547 -0.757 19103 487 1 19 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.818 0.032 19103 488 1 19 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.787 -1.987 19103 489 1 19 . 1 1 8 8 PHE H H 8 7.190 7.190 7.537 -0.347 19103 490 1 19 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 491 1 19 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.312 19103 492 1 19 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.304 18.026 19103 493 1 19 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 494 1 20 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.509 0.011 19103 495 1 20 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.688 -1.288 19103 496 1 20 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.622 -1.682 19103 497 1 20 . 1 1 2 2 VAL H H 2 8.430 8.430 8.121 0.309 19103 498 1 20 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.507 0.373 19103 499 1 20 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.855 -0.885 19103 500 1 20 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.249 10.451 19103 501 1 20 . 1 1 3 3 CYS H H 3 8.630 8.630 8.295 0.335 19103 502 1 20 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 503 1 20 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.096 -4.296 19103 504 1 20 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.140 19.829 19103 505 1 20 . 1 1 4 4 CYS H H 4 8.790 8.790 8.929 -0.139 19103 506 1 20 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.175 -3.345 19103 507 1 20 . 1 1 5 5 GLY H H 5 8.790 8.790 8.606 0.184 19103 508 1 20 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.747 0.073 19103 509 1 20 . 1 1 6 6 VAL CA C 6 63.220 63.220 64.209 -0.989 19103 510 1 20 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.814 -0.614 19103 511 1 20 . 1 1 6 6 VAL H H 6 8.250 8.250 8.703 -0.453 19103 512 1 20 . 1 1 7 7 SER HA H 7 4.480 4.480 4.171 0.309 19103 513 1 20 . 1 1 7 7 SER CA C 7 57.600 57.600 59.383 -1.783 19103 514 1 20 . 1 1 7 7 SER CB C 7 63.210 63.210 62.301 0.909 19103 515 1 20 . 1 1 7 7 SER H H 7 7.790 7.790 8.497 -0.707 19103 516 1 20 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.816 0.034 19103 517 1 20 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.753 -1.953 19103 518 1 20 . 1 1 8 8 PHE H H 8 7.190 7.190 7.516 -0.326 19103 519 1 20 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.375 0.326 19103 520 1 20 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.311 19103 521 1 20 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.314 18.016 19103 522 1 20 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 523 1 22 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.502 0.018 19103 524 1 22 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.748 -1.348 19103 525 1 22 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.579 -1.639 19103 526 1 22 . 1 1 2 2 VAL H H 2 8.430 8.430 8.205 0.225 19103 527 1 22 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.506 0.374 19103 528 1 22 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.855 -0.884 19103 529 1 22 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.232 10.468 19103 530 1 22 . 1 1 3 3 CYS H H 3 8.630 8.630 8.298 0.332 19103 531 1 22 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.423 0.717 19103 532 1 22 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.097 -4.297 19103 533 1 22 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.134 19.835 19103 534 1 22 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 535 1 22 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.092 -3.261 19103 536 1 22 . 1 1 5 5 GLY H H 5 8.790 8.790 8.536 0.254 19103 537 1 22 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.648 0.172 19103 538 1 22 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.770 -0.550 19103 539 1 22 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.962 -0.762 19103 540 1 22 . 1 1 6 6 VAL H H 6 8.250 8.250 8.660 -0.410 19103 541 1 22 . 1 1 7 7 SER HA H 7 4.480 4.480 4.170 0.310 19103 542 1 22 . 1 1 7 7 SER CA C 7 57.600 57.600 59.305 -1.705 19103 543 1 22 . 1 1 7 7 SER CB C 7 63.210 63.210 62.277 0.933 19103 544 1 22 . 1 1 7 7 SER H H 7 7.790 7.790 8.417 -0.627 19103 545 1 22 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.828 0.022 19103 546 1 22 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.691 -1.891 19103 547 1 22 . 1 1 8 8 PHE H H 8 7.190 7.190 7.499 -0.309 19103 548 1 22 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 549 1 22 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 550 1 22 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.304 18.026 19103 551 1 22 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 552 1 23 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.495 0.025 19103 553 1 23 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.109 -0.709 19103 554 1 23 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.484 -1.544 19103 555 1 23 . 1 1 2 2 VAL H H 2 8.430 8.430 8.163 0.267 19103 556 1 23 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.484 0.396 19103 557 1 23 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.786 -0.816 19103 558 1 23 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.532 10.168 19103 559 1 23 . 1 1 3 3 CYS H H 3 8.630 8.630 8.270 0.360 19103 560 1 23 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.423 0.717 19103 561 1 23 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.097 -4.297 19103 562 1 23 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.136 19.834 19103 563 1 23 . 1 1 4 4 CYS H H 4 8.790 8.790 8.929 -0.139 19103 564 1 23 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.226 -3.396 19103 565 1 23 . 1 1 5 5 GLY H H 5 8.790 8.790 8.466 0.324 19103 566 1 23 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.785 0.035 19103 567 1 23 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.663 -0.442 19103 568 1 23 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.754 -0.554 19103 569 1 23 . 1 1 6 6 VAL H H 6 8.250 8.250 8.601 -0.351 19103 570 1 23 . 1 1 7 7 SER HA H 7 4.480 4.480 4.179 0.301 19103 571 1 23 . 1 1 7 7 SER CA C 7 57.600 57.600 59.669 -2.069 19103 572 1 23 . 1 1 7 7 SER CB C 7 63.210 63.210 62.295 0.915 19103 573 1 23 . 1 1 7 7 SER H H 7 7.790 7.790 8.544 -0.754 19103 574 1 23 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.809 0.041 19103 575 1 23 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.808 -2.008 19103 576 1 23 . 1 1 8 8 PHE H H 8 7.190 7.190 7.529 -0.339 19103 577 1 23 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 578 1 23 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.153 -2.313 19103 579 1 23 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.303 18.027 19103 580 1 23 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 581 1 24 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.629 -0.109 19103 582 1 24 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.057 -0.657 19103 583 1 24 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.417 -1.477 19103 584 1 24 . 1 1 2 2 VAL H H 2 8.430 8.430 8.251 0.179 19103 585 1 24 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.493 0.387 19103 586 1 24 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.852 -0.882 19103 587 1 24 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.119 10.581 19103 588 1 24 . 1 1 3 3 CYS H H 3 8.630 8.630 8.297 0.333 19103 589 1 24 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.425 0.715 19103 590 1 24 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.104 -4.304 19103 591 1 24 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.137 19.833 19103 592 1 24 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 593 1 24 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.239 -3.409 19103 594 1 24 . 1 1 5 5 GLY H H 5 8.790 8.790 8.483 0.307 19103 595 1 24 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.798 0.022 19103 596 1 24 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.660 -0.440 19103 597 1 24 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.427 -0.227 19103 598 1 24 . 1 1 6 6 VAL H H 6 8.250 8.250 8.646 -0.396 19103 599 1 24 . 1 1 7 7 SER HA H 7 4.480 4.480 4.143 0.337 19103 600 1 24 . 1 1 7 7 SER CA C 7 57.600 57.600 59.408 -1.808 19103 601 1 24 . 1 1 7 7 SER CB C 7 63.210 63.210 62.370 0.840 19103 602 1 24 . 1 1 7 7 SER H H 7 7.790 7.790 8.454 -0.664 19103 603 1 24 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.828 0.022 19103 604 1 24 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.691 -1.891 19103 605 1 24 . 1 1 8 8 PHE H H 8 7.190 7.190 7.499 -0.309 19103 606 1 24 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 607 1 24 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.312 19103 608 1 24 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.308 18.022 19103 609 1 24 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 610 1 27 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.476 0.044 19103 611 1 27 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.817 -1.417 19103 612 1 27 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.628 -1.688 19103 613 1 27 . 1 1 2 2 VAL H H 2 8.430 8.430 8.215 0.215 19103 614 1 27 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.512 0.368 19103 615 1 27 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.859 -0.889 19103 616 1 27 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.283 10.417 19103 617 1 27 . 1 1 3 3 CYS H H 3 8.630 8.630 8.291 0.339 19103 618 1 27 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 619 1 27 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.101 -4.301 19103 620 1 27 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.142 19.828 19103 621 1 27 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 622 1 27 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.157 -3.327 19103 623 1 27 . 1 1 5 5 GLY H H 5 8.790 8.790 8.610 0.180 19103 624 1 27 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.744 0.076 19103 625 1 27 . 1 1 6 6 VAL CA C 6 63.220 63.220 64.063 -0.843 19103 626 1 27 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.741 -0.541 19103 627 1 27 . 1 1 6 6 VAL H H 6 8.250 8.250 8.685 -0.435 19103 628 1 27 . 1 1 7 7 SER HA H 7 4.480 4.480 4.153 0.327 19103 629 1 27 . 1 1 7 7 SER CA C 7 57.600 57.600 59.291 -1.691 19103 630 1 27 . 1 1 7 7 SER CB C 7 63.210 63.210 62.322 0.888 19103 631 1 27 . 1 1 7 7 SER H H 7 7.790 7.790 8.456 -0.666 19103 632 1 27 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.831 0.019 19103 633 1 27 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.679 -1.879 19103 634 1 27 . 1 1 8 8 PHE H H 8 7.190 7.190 7.497 -0.307 19103 635 1 27 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 636 1 27 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.151 -2.311 19103 637 1 27 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.308 18.023 19103 638 1 27 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 639 1 28 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.522 -0.002 19103 640 1 28 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.370 -0.969 19103 641 1 28 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.176 -1.236 19103 642 1 28 . 1 1 2 2 VAL H H 2 8.430 8.430 8.279 0.151 19103 643 1 28 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.495 0.385 19103 644 1 28 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.743 -0.773 19103 645 1 28 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.427 10.274 19103 646 1 28 . 1 1 3 3 CYS H H 3 8.630 8.630 8.269 0.361 19103 647 1 28 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.426 0.714 19103 648 1 28 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.100 -4.300 19103 649 1 28 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.136 19.834 19103 650 1 28 . 1 1 4 4 CYS H H 4 8.790 8.790 8.931 -0.141 19103 651 1 28 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.128 -3.298 19103 652 1 28 . 1 1 5 5 GLY H H 5 8.790 8.790 8.612 0.178 19103 653 1 28 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.723 0.097 19103 654 1 28 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.941 -0.721 19103 655 1 28 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.833 -0.633 19103 656 1 28 . 1 1 6 6 VAL H H 6 8.250 8.250 8.670 -0.420 19103 657 1 28 . 1 1 7 7 SER HA H 7 4.480 4.480 4.160 0.320 19103 658 1 28 . 1 1 7 7 SER CA C 7 57.600 57.600 59.354 -1.754 19103 659 1 28 . 1 1 7 7 SER CB C 7 63.210 63.210 62.306 0.904 19103 660 1 28 . 1 1 7 7 SER H H 7 7.790 7.790 8.451 -0.661 19103 661 1 28 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.832 0.018 19103 662 1 28 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.676 -1.876 19103 663 1 28 . 1 1 8 8 PHE H H 8 7.190 7.190 7.498 -0.308 19103 664 1 28 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 665 1 28 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 666 1 28 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.302 18.028 19103 667 1 28 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 668 1 29 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.685 -0.165 19103 669 1 29 . 1 1 2 2 VAL CA C 2 60.400 60.400 60.345 0.055 19103 670 1 29 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.297 -1.357 19103 671 1 29 . 1 1 2 2 VAL H H 2 8.430 8.430 8.083 0.347 19103 672 1 29 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.465 0.415 19103 673 1 29 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.761 -0.791 19103 674 1 29 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.486 10.214 19103 675 1 29 . 1 1 3 3 CYS H H 3 8.630 8.630 8.267 0.363 19103 676 1 29 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.425 0.715 19103 677 1 29 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.103 -4.303 19103 678 1 29 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.136 19.834 19103 679 1 29 . 1 1 4 4 CYS H H 4 8.790 8.790 8.931 -0.141 19103 680 1 29 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.245 -3.415 19103 681 1 29 . 1 1 5 5 GLY H H 5 8.790 8.790 8.501 0.289 19103 682 1 29 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.799 0.021 19103 683 1 29 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.795 -0.575 19103 684 1 29 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.466 -0.266 19103 685 1 29 . 1 1 6 6 VAL H H 6 8.250 8.250 8.660 -0.410 19103 686 1 29 . 1 1 7 7 SER HA H 7 4.480 4.480 4.152 0.328 19103 687 1 29 . 1 1 7 7 SER CA C 7 57.600 57.600 59.446 -1.846 19103 688 1 29 . 1 1 7 7 SER CB C 7 63.210 63.210 62.364 0.846 19103 689 1 29 . 1 1 7 7 SER H H 7 7.790 7.790 8.488 -0.698 19103 690 1 29 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.819 0.031 19103 691 1 29 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.733 -1.933 19103 692 1 29 . 1 1 8 8 PHE H H 8 7.190 7.190 7.512 -0.322 19103 693 1 29 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.373 0.327 19103 694 1 29 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 695 1 29 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.306 18.024 19103 696 1 29 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 697 1 30 . 1 1 2 2 VAL HA H 2 4.520 4.520 4.602 -0.082 19103 698 1 30 . 1 1 2 2 VAL CA C 2 60.400 60.400 60.859 -0.459 19103 699 1 30 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.137 -1.197 19103 700 1 30 . 1 1 2 2 VAL H H 2 8.430 8.430 8.273 0.157 19103 701 1 30 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.489 0.391 19103 702 1 30 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.731 -0.761 19103 703 1 30 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.328 10.371 19103 704 1 30 . 1 1 3 3 CYS H H 3 8.630 8.630 8.268 0.362 19103 705 1 30 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.425 0.715 19103 706 1 30 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.104 -4.304 19103 707 1 30 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.140 19.831 19103 708 1 30 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 709 1 30 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.183 -3.353 19103 710 1 30 . 1 1 5 5 GLY H H 5 8.790 8.790 8.602 0.188 19103 711 1 30 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.769 0.051 19103 712 1 30 . 1 1 6 6 VAL CA C 6 63.220 63.220 64.131 -0.911 19103 713 1 30 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.660 -0.460 19103 714 1 30 . 1 1 6 6 VAL H H 6 8.250 8.250 8.683 -0.433 19103 715 1 30 . 1 1 7 7 SER HA H 7 4.480 4.480 4.148 0.332 19103 716 1 30 . 1 1 7 7 SER CA C 7 57.600 57.600 59.288 -1.688 19103 717 1 30 . 1 1 7 7 SER CB C 7 63.210 63.210 62.334 0.876 19103 718 1 30 . 1 1 7 7 SER H H 7 7.790 7.790 8.461 -0.671 19103 719 1 30 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.830 0.020 19103 720 1 30 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.680 -1.880 19103 721 1 30 . 1 1 8 8 PHE H H 8 7.190 7.190 7.497 -0.307 19103 722 1 30 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.326 19103 723 1 30 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.150 -2.310 19103 724 1 30 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.316 18.014 19103 725 1 30 . 1 1 9 9 CYS H H 9 8.800 8.800 8.601 0.199 19103 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 19103 2 1 1 "Average Difference" HA 9 0.377 -0.184 0.349 19103 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19103 4 1 1 "Average Difference" CA 7 2.414 2.080 1.324 19103 5 1 1 "Average Difference" CB 7 10.894 -6.503 9.440 19103 6 1 1 "Average Difference" HN 8 0.348 0.081 0.362 19103 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19103 8 1 2 "Average Difference" HA 9 0.374 -0.178 0.349 19103 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19103 10 1 2 "Average Difference" CA 7 2.425 2.088 1.333 19103 11 1 2 "Average Difference" CB 7 10.910 -6.473 9.486 19103 12 1 2 "Average Difference" HN 8 0.367 0.094 0.379 19103 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19103 14 1 3 "Average Difference" HA 9 0.372 -0.169 0.352 19103 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19103 16 1 3 "Average Difference" CA 7 2.458 2.078 1.417 19103 17 1 3 "Average Difference" CB 7 10.943 -6.489 9.518 19103 18 1 3 "Average Difference" HN 8 0.377 0.069 0.396 19103 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19103 20 1 4 "Average Difference" HA 9 0.387 -0.167 0.370 19103 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19103 22 1 4 "Average Difference" CA 7 2.375 1.965 1.441 19103 23 1 4 "Average Difference" CB 7 10.883 -6.403 9.505 19103 24 1 4 "Average Difference" HN 8 0.365 0.048 0.387 19103 25 1 6 "Average Difference" N 0 0.000 0.000 0.000 19103 26 1 6 "Average Difference" HA 9 0.374 -0.166 0.356 19103 27 1 6 "Average Difference" C 0 0.000 0.000 0.000 19103 28 1 6 "Average Difference" CA 7 2.438 2.034 1.452 19103 29 1 6 "Average Difference" CB 7 10.945 -6.482 9.526 19103 30 1 6 "Average Difference" HN 8 0.379 0.065 0.399 19103 31 1 7 "Average Difference" N 0 0.000 0.000 0.000 19103 32 1 7 "Average Difference" HA 9 0.376 -0.181 0.350 19103 33 1 7 "Average Difference" C 0 0.000 0.000 0.000 19103 34 1 7 "Average Difference" CA 7 2.442 2.123 1.304 19103 35 1 7 "Average Difference" CB 7 10.922 -6.439 9.529 19103 36 1 7 "Average Difference" HN 8 0.347 0.074 0.362 19103 37 1 8 "Average Difference" N 0 0.000 0.000 0.000 19103 38 1 8 "Average Difference" HA 9 0.374 -0.184 0.345 19103 39 1 8 "Average Difference" C 0 0.000 0.000 0.000 19103 40 1 8 "Average Difference" CA 7 2.437 2.064 1.401 19103 41 1 8 "Average Difference" CB 7 10.899 -6.499 9.451 19103 42 1 8 "Average Difference" HN 8 0.370 0.072 0.388 19103 43 1 9 "Average Difference" N 0 0.000 0.000 0.000 19103 44 1 9 "Average Difference" HA 9 0.381 -0.170 0.362 19103 45 1 9 "Average Difference" C 0 0.000 0.000 0.000 19103 46 1 9 "Average Difference" CA 7 2.390 2.025 1.371 19103 47 1 9 "Average Difference" CB 7 10.938 -6.450 9.542 19103 48 1 9 "Average Difference" HN 8 0.353 0.050 0.374 19103 49 1 10 "Average Difference" N 0 0.000 0.000 0.000 19103 50 1 10 "Average Difference" HA 9 0.379 -0.175 0.356 19103 51 1 10 "Average Difference" C 0 0.000 0.000 0.000 19103 52 1 10 "Average Difference" CA 7 2.404 2.043 1.368 19103 53 1 10 "Average Difference" CB 7 10.893 -6.493 9.447 19103 54 1 10 "Average Difference" HN 8 0.347 0.078 0.362 19103 55 1 12 "Average Difference" N 0 0.000 0.000 0.000 19103 56 1 12 "Average Difference" HA 9 0.383 -0.174 0.362 19103 57 1 12 "Average Difference" C 0 0.000 0.000 0.000 19103 58 1 12 "Average Difference" CA 7 2.394 2.044 1.348 19103 59 1 12 "Average Difference" CB 7 10.926 -6.425 9.546 19103 60 1 12 "Average Difference" HN 8 0.361 0.034 0.384 19103 61 1 13 "Average Difference" N 0 0.000 0.000 0.000 19103 62 1 13 "Average Difference" HA 9 0.377 -0.175 0.355 19103 63 1 13 "Average Difference" C 0 0.000 0.000 0.000 19103 64 1 13 "Average Difference" CA 7 2.402 2.029 1.389 19103 65 1 13 "Average Difference" CB 7 10.903 -6.477 9.474 19103 66 1 13 "Average Difference" HN 8 0.344 0.077 0.358 19103 67 1 14 "Average Difference" N 0 0.000 0.000 0.000 19103 68 1 14 "Average Difference" HA 9 0.375 -0.185 0.346 19103 69 1 14 "Average Difference" C 0 0.000 0.000 0.000 19103 70 1 14 "Average Difference" CA 7 2.428 2.052 1.402 19103 71 1 14 "Average Difference" CB 7 10.898 -6.503 9.446 19103 72 1 14 "Average Difference" HN 8 0.366 0.068 0.385 19103 73 1 15 "Average Difference" N 0 0.000 0.000 0.000 19103 74 1 15 "Average Difference" HA 9 0.379 -0.172 0.358 19103 75 1 15 "Average Difference" C 0 0.000 0.000 0.000 19103 76 1 15 "Average Difference" CA 7 2.419 1.956 1.537 19103 77 1 15 "Average Difference" CB 7 10.884 -6.466 9.457 19103 78 1 15 "Average Difference" HN 8 0.355 0.043 0.377 19103 79 1 16 "Average Difference" N 0 0.000 0.000 0.000 19103 80 1 16 "Average Difference" HA 9 0.379 -0.187 0.350 19103 81 1 16 "Average Difference" C 0 0.000 0.000 0.000 19103 82 1 16 "Average Difference" CA 7 2.414 2.078 1.327 19103 83 1 16 "Average Difference" CB 7 10.866 -6.423 9.467 19103 84 1 16 "Average Difference" HN 8 0.364 0.081 0.380 19103 85 1 17 "Average Difference" N 0 0.000 0.000 0.000 19103 86 1 17 "Average Difference" HA 9 0.377 -0.170 0.356 19103 87 1 17 "Average Difference" C 0 0.000 0.000 0.000 19103 88 1 17 "Average Difference" CA 7 2.445 2.020 1.487 19103 89 1 17 "Average Difference" CB 7 10.883 -6.427 9.486 19103 90 1 17 "Average Difference" HN 8 0.381 0.041 0.405 19103 91 1 18 "Average Difference" N 0 0.000 0.000 0.000 19103 92 1 18 "Average Difference" HA 9 0.382 -0.173 0.361 19103 93 1 18 "Average Difference" C 0 0.000 0.000 0.000 19103 94 1 18 "Average Difference" CA 7 2.394 1.971 1.468 19103 95 1 18 "Average Difference" CB 7 10.876 -6.467 9.446 19103 96 1 18 "Average Difference" HN 8 0.355 0.049 0.376 19103 97 1 19 "Average Difference" N 0 0.000 0.000 0.000 19103 98 1 19 "Average Difference" HA 9 0.379 -0.160 0.364 19103 99 1 19 "Average Difference" C 0 0.000 0.000 0.000 19103 100 1 19 "Average Difference" CA 7 2.425 2.025 1.443 19103 101 1 19 "Average Difference" CB 7 10.891 -6.438 9.488 19103 102 1 19 "Average Difference" HN 8 0.370 0.070 0.388 19103 103 1 20 "Average Difference" N 0 0.000 0.000 0.000 19103 104 1 20 "Average Difference" HA 9 0.375 -0.179 0.350 19103 105 1 20 "Average Difference" C 0 0.000 0.000 0.000 19103 106 1 20 "Average Difference" CA 7 2.437 2.128 1.283 19103 107 1 20 "Average Difference" CB 7 10.921 -6.422 9.540 19103 108 1 20 "Average Difference" HN 8 0.373 0.075 0.390 19103 109 1 22 "Average Difference" N 0 0.000 0.000 0.000 19103 110 1 22 "Average Difference" HA 9 0.383 -0.178 0.359 19103 111 1 22 "Average Difference" C 0 0.000 0.000 0.000 19103 112 1 22 "Average Difference" CA 7 2.398 2.051 1.342 19103 113 1 22 "Average Difference" CB 7 10.926 -6.424 9.546 19103 114 1 22 "Average Difference" HN 8 0.343 0.060 0.361 19103 115 1 23 "Average Difference" N 0 0.000 0.000 0.000 19103 116 1 23 "Average Difference" HA 9 0.376 -0.181 0.349 19103 117 1 23 "Average Difference" C 0 0.000 0.000 0.000 19103 118 1 23 "Average Difference" CA 7 2.420 2.006 1.462 19103 119 1 23 "Average Difference" CB 7 10.885 -6.406 9.505 19103 120 1 23 "Average Difference" HN 8 0.383 0.054 0.405 19103 121 1 24 "Average Difference" N 0 0.000 0.000 0.000 19103 122 1 24 "Average Difference" HA 9 0.379 -0.167 0.361 19103 123 1 24 "Average Difference" C 0 0.000 0.000 0.000 19103 124 1 24 "Average Difference" CA 7 2.395 1.973 1.467 19103 125 1 24 "Average Difference" CB 7 10.932 -6.526 9.474 19103 126 1 24 "Average Difference" HN 8 0.352 0.061 0.370 19103 127 1 27 "Average Difference" N 0 0.000 0.000 0.000 19103 128 1 27 "Average Difference" HA 9 0.377 -0.181 0.351 19103 129 1 27 "Average Difference" C 0 0.000 0.000 0.000 19103 130 1 27 "Average Difference" CA 7 2.428 2.111 1.296 19103 131 1 27 "Average Difference" CB 7 10.915 -6.435 9.522 19103 132 1 27 "Average Difference" HN 8 0.350 0.077 0.365 19103 133 1 28 "Average Difference" N 0 0.000 0.000 0.000 19103 134 1 28 "Average Difference" HA 9 0.379 -0.177 0.356 19103 135 1 28 "Average Difference" C 0 0.000 0.000 0.000 19103 136 1 28 "Average Difference" CA 7 2.386 2.018 1.374 19103 137 1 28 "Average Difference" CB 7 10.890 -6.471 9.462 19103 138 1 28 "Average Difference" HN 8 0.345 0.080 0.359 19103 139 1 29 "Average Difference" N 0 0.000 0.000 0.000 19103 140 1 29 "Average Difference" HA 9 0.383 -0.165 0.367 19103 141 1 29 "Average Difference" C 0 0.000 0.000 0.000 19103 142 1 29 "Average Difference" CA 7 2.387 1.884 1.584 19103 143 1 29 "Average Difference" CB 7 10.882 -6.480 9.443 19103 144 1 29 "Average Difference" HN 8 0.380 0.046 0.403 19103 145 1 30 "Average Difference" N 0 0.000 0.000 0.000 19103 146 1 30 "Average Difference" HA 9 0.379 -0.169 0.360 19103 147 1 30 "Average Difference" C 0 0.000 0.000 0.000 19103 148 1 30 "Average Difference" CA 7 2.378 1.969 1.439 19103 149 1 30 "Average Difference" CB 7 10.897 -6.508 9.441 19103 150 1 30 "Average Difference" HN 8 0.350 0.081 0.364 19103 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 19103 _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 VAL HA H 2 4.520 4.520 4.541 -0.021 19103 2 1 . 1 1 2 2 VAL CA C 2 60.400 60.400 61.320 -0.920 19103 3 1 . 1 1 2 2 VAL CB C 2 32.940 32.940 34.366 -1.426 19103 4 1 . 1 1 2 2 VAL H H 2 8.430 8.430 8.208 0.222 19103 5 1 . 1 1 3 3 CYS HA H 3 4.880 4.880 4.493 0.387 19103 6 1 . 1 1 3 3 CYS CA C 3 56.970 56.970 57.788 -0.818 19103 7 1 . 1 1 3 3 CYS CB C 3 36.700 36.700 26.351 10.349 19103 8 1 . 1 1 3 3 CYS H H 3 8.630 8.630 8.280 0.350 19103 9 1 . 1 1 4 4 CYS HA H 4 5.140 5.140 4.424 0.716 19103 10 1 . 1 1 4 4 CYS CA C 4 54.800 54.800 59.099 -4.299 19103 11 1 . 1 1 4 4 CYS CB C 4 45.970 45.970 26.138 19.832 19103 12 1 . 1 1 4 4 CYS H H 4 8.790 8.790 8.930 -0.140 19103 13 1 . 1 1 5 5 GLY CA C 5 41.830 41.830 45.183 -3.353 19103 14 1 . 1 1 5 5 GLY H H 5 8.790 8.790 8.539 0.251 19103 15 1 . 1 1 6 6 VAL HA H 6 3.820 3.820 3.761 0.059 19103 16 1 . 1 1 6 6 VAL CA C 6 63.220 63.220 63.854 -0.634 19103 17 1 . 1 1 6 6 VAL CB C 6 30.200 30.200 30.767 -0.567 19103 18 1 . 1 1 6 6 VAL H H 6 8.250 8.250 8.635 -0.385 19103 19 1 . 1 1 7 7 SER HA H 7 4.480 4.480 4.166 0.314 19103 20 1 . 1 1 7 7 SER CA C 7 57.600 57.600 59.492 -1.892 19103 21 1 . 1 1 7 7 SER CB C 7 63.210 63.210 62.263 0.947 19103 22 1 . 1 1 7 7 SER H H 7 7.790 7.790 8.487 -0.697 19103 23 1 . 1 1 8 8 PHE HA H 8 4.850 4.850 4.822 0.028 19103 24 1 . 1 1 8 8 PHE CB C 8 38.800 38.800 40.731 -1.931 19103 25 1 . 1 1 8 8 PHE H H 8 7.190 7.190 7.512 -0.322 19103 26 1 . 1 1 9 9 CYS HA H 9 5.700 5.700 5.374 0.327 19103 27 1 . 1 1 9 9 CYS CA C 9 54.840 54.840 57.152 -2.312 19103 28 1 . 1 1 9 9 CYS CB C 9 46.330 46.330 28.307 18.023 19103 29 1 . 1 1 9 9 CYS H H 9 8.800 8.800 8.602 0.198 19103 stop_ save_