data_19476 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19476 _Entry.PDB_ID 2MD6 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 19476 _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 GLY CA C 2 42.241 42.241 45.141 -2.900 19476 2 1 1 . 1 1 2 2 GLY H H 2 8.945 8.945 8.684 0.261 19476 3 1 1 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.798 -0.301 19476 4 1 1 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.231 -1.601 19476 5 1 1 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.410 12.092 19476 6 1 1 . 1 1 3 3 CYS H H 3 8.910 8.910 8.273 0.637 19476 7 1 1 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.530 -0.101 19476 8 1 1 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.621 -6.529 19476 9 1 1 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.403 8.817 19476 10 1 1 . 1 1 4 4 CYS H H 4 8.773 8.773 8.409 0.364 19476 11 1 1 . 1 1 5 5 SER HA H 5 4.518 4.518 4.440 0.078 19476 12 1 1 . 1 1 5 5 SER CA C 5 55.783 55.783 58.431 -2.648 19476 13 1 1 . 1 1 5 5 SER CB C 5 60.742 60.742 63.704 -2.962 19476 14 1 1 . 1 1 5 5 SER H H 5 7.798 7.798 8.404 -0.606 19476 15 1 1 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.029 0.266 19476 16 1 1 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.555 -5.487 19476 17 1 1 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.883 -0.955 19476 18 1 1 . 1 1 6 6 ASN H H 6 8.073 8.073 8.364 -0.291 19476 19 1 1 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.456 -0.339 19476 20 1 1 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.535 -1.443 19476 21 1 1 . 1 1 7 7 PRO CB C 7 29.278 29.278 32.029 -2.751 19476 22 1 1 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.414 -0.265 19476 23 1 1 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.339 -1.457 19476 24 1 1 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.676 -3.463 19476 25 1 1 . 1 1 8 8 ALA H H 8 7.807 7.807 8.206 -0.399 19476 26 1 1 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.364 0.031 19476 27 1 1 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.381 -2.283 19476 28 1 1 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.972 11.413 19476 29 1 1 . 1 1 9 9 CYS H H 9 8.114 8.114 7.993 0.121 19476 30 1 1 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.147 -0.150 19476 31 1 1 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.775 -2.958 19476 32 1 1 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.094 -2.544 19476 33 1 1 . 1 1 10 10 ARG H H 10 8.855 8.855 7.764 1.091 19476 34 1 1 . 1 1 11 11 THR HA H 11 3.891 3.891 4.215 -0.324 19476 35 1 1 . 1 1 11 11 THR CA C 11 62.717 62.717 64.767 -2.050 19476 36 1 1 . 1 1 11 11 THR CB C 11 66.074 66.074 68.651 -2.578 19476 37 1 1 . 1 1 11 11 THR H H 11 7.934 7.934 7.795 0.139 19476 38 1 1 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.685 -0.081 19476 39 1 1 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.851 -2.826 19476 40 1 1 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.871 -3.293 19476 41 1 1 . 1 1 12 12 ASN H H 12 7.538 7.538 7.735 -0.197 19476 42 1 1 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.944 0.520 19476 43 1 1 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.722 -3.538 19476 44 1 1 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.977 -3.264 19476 45 1 1 . 1 1 13 13 HIS H H 13 7.818 7.818 8.296 -0.478 19476 46 1 1 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.385 0.023 19476 47 1 1 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.162 -1.847 19476 48 1 1 . 1 1 14 14 PRO CB C 14 28.367 28.367 31.933 -3.566 19476 49 1 1 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.139 0.184 19476 50 1 1 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.032 -2.528 19476 51 1 1 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.599 -4.243 19476 52 1 1 . 1 1 15 15 GLU H H 15 9.729 9.729 8.297 1.432 19476 53 1 1 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.024 0.210 19476 54 1 1 . 1 1 16 16 VAL CA C 16 60.416 60.416 62.725 -2.309 19476 55 1 1 . 1 1 16 16 VAL CB C 16 30.066 30.066 30.778 -0.712 19476 56 1 1 . 1 1 16 16 VAL H H 16 7.514 7.514 7.431 0.083 19476 57 1 1 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.748 0.185 19476 58 1 1 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.814 -7.029 19476 59 1 1 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.027 7.581 19476 60 1 1 . 1 1 17 17 CYS H H 17 7.823 7.823 7.826 -0.003 19476 61 1 2 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.714 -2.473 19476 62 1 2 . 1 1 2 2 GLY H H 2 8.945 8.945 8.355 0.590 19476 63 1 2 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.714 -0.217 19476 64 1 2 . 1 1 3 3 CYS CA C 3 55.630 55.630 58.408 -2.778 19476 65 1 2 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.619 12.883 19476 66 1 2 . 1 1 3 3 CYS H H 3 8.910 8.910 8.430 0.480 19476 67 1 2 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.489 -0.059 19476 68 1 2 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.287 -6.195 19476 69 1 2 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.591 8.629 19476 70 1 2 . 1 1 4 4 CYS H H 4 8.773 8.773 8.763 0.010 19476 71 1 2 . 1 1 5 5 SER HA H 5 4.518 4.518 4.422 0.096 19476 72 1 2 . 1 1 5 5 SER CA C 5 55.783 55.783 58.426 -2.643 19476 73 1 2 . 1 1 5 5 SER CB C 5 60.742 60.742 63.656 -2.914 19476 74 1 2 . 1 1 5 5 SER H H 5 7.798 7.798 8.106 -0.308 19476 75 1 2 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.024 0.271 19476 76 1 2 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.878 -5.810 19476 77 1 2 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.410 -0.482 19476 78 1 2 . 1 1 6 6 ASN H H 6 8.073 8.073 8.295 -0.222 19476 79 1 2 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.345 -0.228 19476 80 1 2 . 1 1 7 7 PRO CA C 7 63.092 63.092 65.374 -2.282 19476 81 1 2 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.985 -2.707 19476 82 1 2 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.392 -0.243 19476 83 1 2 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.941 -2.059 19476 84 1 2 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.339 -3.126 19476 85 1 2 . 1 1 8 8 ALA H H 8 7.807 7.807 8.316 -0.509 19476 86 1 2 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.526 -0.131 19476 87 1 2 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.856 -1.758 19476 88 1 2 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.157 11.229 19476 89 1 2 . 1 1 9 9 CYS H H 9 8.114 8.114 8.015 0.099 19476 90 1 2 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.884 0.113 19476 91 1 2 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.593 -2.777 19476 92 1 2 . 1 1 10 10 ARG CB C 10 27.550 27.550 29.816 -2.266 19476 93 1 2 . 1 1 10 10 ARG H H 10 8.855 8.855 7.760 1.095 19476 94 1 2 . 1 1 11 11 THR HA H 11 3.891 3.891 4.130 -0.239 19476 95 1 2 . 1 1 11 11 THR CA C 11 62.717 62.717 64.732 -2.015 19476 96 1 2 . 1 1 11 11 THR CB C 11 66.074 66.074 68.309 -2.235 19476 97 1 2 . 1 1 11 11 THR H H 11 7.934 7.934 7.827 0.107 19476 98 1 2 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.692 -0.088 19476 99 1 2 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.521 -2.496 19476 100 1 2 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.222 -3.644 19476 101 1 2 . 1 1 12 12 ASN H H 12 7.538 7.538 7.703 -0.165 19476 102 1 2 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.042 0.422 19476 103 1 2 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.901 -2.717 19476 104 1 2 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.202 -3.489 19476 105 1 2 . 1 1 13 13 HIS H H 13 7.818 7.818 8.218 -0.400 19476 106 1 2 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.238 0.170 19476 107 1 2 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.304 -1.989 19476 108 1 2 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.174 -3.807 19476 109 1 2 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.090 0.233 19476 110 1 2 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.482 -2.978 19476 111 1 2 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.029 -4.673 19476 112 1 2 . 1 1 15 15 GLU H H 15 9.729 9.729 8.481 1.248 19476 113 1 2 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.918 0.316 19476 114 1 2 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.786 -4.370 19476 115 1 2 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.096 -2.030 19476 116 1 2 . 1 1 16 16 VAL H H 16 7.514 7.514 7.467 0.047 19476 117 1 2 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.587 0.346 19476 118 1 2 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.160 -7.375 19476 119 1 2 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.429 7.179 19476 120 1 2 . 1 1 17 17 CYS H H 17 7.823 7.823 7.744 0.079 19476 121 1 3 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.696 -3.455 19476 122 1 3 . 1 1 2 2 GLY H H 2 8.945 8.945 8.854 0.091 19476 123 1 3 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.860 -0.363 19476 124 1 3 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.046 -1.416 19476 125 1 3 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.007 12.495 19476 126 1 3 . 1 1 3 3 CYS H H 3 8.910 8.910 8.257 0.653 19476 127 1 3 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.522 -0.092 19476 128 1 3 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.203 -6.111 19476 129 1 3 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.580 8.640 19476 130 1 3 . 1 1 4 4 CYS H H 4 8.773 8.773 8.365 0.408 19476 131 1 3 . 1 1 5 5 SER HA H 5 4.518 4.518 4.543 -0.025 19476 132 1 3 . 1 1 5 5 SER CA C 5 55.783 55.783 58.507 -2.724 19476 133 1 3 . 1 1 5 5 SER CB C 5 60.742 60.742 64.317 -3.575 19476 134 1 3 . 1 1 5 5 SER H H 5 7.798 7.798 8.089 -0.291 19476 135 1 3 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.115 0.180 19476 136 1 3 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.942 -4.874 19476 137 1 3 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.261 -1.333 19476 138 1 3 . 1 1 6 6 ASN H H 6 8.073 8.073 8.472 -0.399 19476 139 1 3 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.267 -0.150 19476 140 1 3 . 1 1 7 7 PRO CA C 7 63.092 63.092 65.320 -2.228 19476 141 1 3 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.920 -2.642 19476 142 1 3 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.430 -0.281 19476 143 1 3 . 1 1 8 8 ALA CA C 8 51.882 51.882 54.133 -2.251 19476 144 1 3 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.163 -2.950 19476 145 1 3 . 1 1 8 8 ALA H H 8 7.807 7.807 8.191 -0.384 19476 146 1 3 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.442 -0.047 19476 147 1 3 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.227 -2.130 19476 148 1 3 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.960 11.425 19476 149 1 3 . 1 1 9 9 CYS H H 9 8.114 8.114 8.221 -0.107 19476 150 1 3 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.974 0.023 19476 151 1 3 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.594 -2.779 19476 152 1 3 . 1 1 10 10 ARG CB C 10 27.550 27.550 29.991 -2.441 19476 153 1 3 . 1 1 10 10 ARG H H 10 8.855 8.855 7.661 1.194 19476 154 1 3 . 1 1 11 11 THR HA H 11 3.891 3.891 4.152 -0.261 19476 155 1 3 . 1 1 11 11 THR CA C 11 62.717 62.717 64.829 -2.112 19476 156 1 3 . 1 1 11 11 THR CB C 11 66.074 66.074 68.667 -2.593 19476 157 1 3 . 1 1 11 11 THR H H 11 7.934 7.934 7.893 0.041 19476 158 1 3 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.770 -0.166 19476 159 1 3 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.822 -2.797 19476 160 1 3 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.777 -3.199 19476 161 1 3 . 1 1 12 12 ASN H H 12 7.538 7.538 7.923 -0.385 19476 162 1 3 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.017 0.447 19476 163 1 3 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.001 -2.817 19476 164 1 3 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.594 -3.881 19476 165 1 3 . 1 1 13 13 HIS H H 13 7.818 7.818 7.864 -0.046 19476 166 1 3 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.338 0.070 19476 167 1 3 . 1 1 14 14 PRO CA C 14 62.315 62.315 63.768 -1.453 19476 168 1 3 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.271 -3.904 19476 169 1 3 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.142 0.181 19476 170 1 3 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.569 -3.065 19476 171 1 3 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.290 -4.934 19476 172 1 3 . 1 1 15 15 GLU H H 15 9.729 9.729 8.483 1.246 19476 173 1 3 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.218 0.016 19476 174 1 3 . 1 1 16 16 VAL CA C 16 60.416 60.416 62.526 -2.110 19476 175 1 3 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.160 -1.094 19476 176 1 3 . 1 1 16 16 VAL H H 16 7.514 7.514 7.587 -0.073 19476 177 1 3 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.754 0.179 19476 178 1 3 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.443 -7.658 19476 179 1 3 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.743 6.865 19476 180 1 3 . 1 1 17 17 CYS H H 17 7.823 7.823 7.801 0.022 19476 181 1 4 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.398 -3.157 19476 182 1 4 . 1 1 2 2 GLY H H 2 8.945 8.945 8.649 0.296 19476 183 1 4 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.775 -0.278 19476 184 1 4 . 1 1 3 3 CYS CA C 3 55.630 55.630 58.034 -2.404 19476 185 1 4 . 1 1 3 3 CYS CB C 3 39.502 39.502 28.384 11.118 19476 186 1 4 . 1 1 3 3 CYS H H 3 8.910 8.910 8.313 0.597 19476 187 1 4 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.490 -0.060 19476 188 1 4 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.316 -6.224 19476 189 1 4 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.647 8.573 19476 190 1 4 . 1 1 4 4 CYS H H 4 8.773 8.773 8.759 0.014 19476 191 1 4 . 1 1 5 5 SER HA H 5 4.518 4.518 4.411 0.107 19476 192 1 4 . 1 1 5 5 SER CA C 5 55.783 55.783 58.657 -2.874 19476 193 1 4 . 1 1 5 5 SER CB C 5 60.742 60.742 63.634 -2.892 19476 194 1 4 . 1 1 5 5 SER H H 5 7.798 7.798 8.378 -0.580 19476 195 1 4 . 1 1 6 6 ASN HA H 6 5.295 5.295 4.990 0.305 19476 196 1 4 . 1 1 6 6 ASN CA C 6 47.068 47.068 53.014 -5.946 19476 197 1 4 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.147 -1.219 19476 198 1 4 . 1 1 6 6 ASN H H 6 8.073 8.073 8.461 -0.388 19476 199 1 4 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.446 -0.329 19476 200 1 4 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.430 -1.338 19476 201 1 4 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.791 -2.513 19476 202 1 4 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.451 -0.302 19476 203 1 4 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.849 -1.967 19476 204 1 4 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.387 -3.174 19476 205 1 4 . 1 1 8 8 ALA H H 8 7.807 7.807 8.017 -0.210 19476 206 1 4 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.468 -0.073 19476 207 1 4 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.198 -2.100 19476 208 1 4 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.055 11.330 19476 209 1 4 . 1 1 9 9 CYS H H 9 8.114 8.114 8.201 -0.087 19476 210 1 4 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.957 0.040 19476 211 1 4 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.662 -2.846 19476 212 1 4 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.040 -2.490 19476 213 1 4 . 1 1 10 10 ARG H H 10 8.855 8.855 7.811 1.044 19476 214 1 4 . 1 1 11 11 THR HA H 11 3.891 3.891 4.137 -0.246 19476 215 1 4 . 1 1 11 11 THR CA C 11 62.717 62.717 64.410 -1.693 19476 216 1 4 . 1 1 11 11 THR CB C 11 66.074 66.074 68.505 -2.431 19476 217 1 4 . 1 1 11 11 THR H H 11 7.934 7.934 7.821 0.113 19476 218 1 4 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.725 -0.121 19476 219 1 4 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.668 -2.643 19476 220 1 4 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.755 -3.177 19476 221 1 4 . 1 1 12 12 ASN H H 12 7.538 7.538 7.843 -0.305 19476 222 1 4 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.028 0.436 19476 223 1 4 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.745 -2.561 19476 224 1 4 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.438 -3.725 19476 225 1 4 . 1 1 13 13 HIS H H 13 7.818 7.818 8.123 -0.305 19476 226 1 4 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.263 0.145 19476 227 1 4 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.304 -1.989 19476 228 1 4 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.279 -3.912 19476 229 1 4 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.141 0.182 19476 230 1 4 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.494 -2.990 19476 231 1 4 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.113 -4.757 19476 232 1 4 . 1 1 15 15 GLU H H 15 9.729 9.729 8.300 1.429 19476 233 1 4 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.846 0.388 19476 234 1 4 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.922 -4.506 19476 235 1 4 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.738 -1.672 19476 236 1 4 . 1 1 16 16 VAL H H 16 7.514 7.514 7.760 -0.246 19476 237 1 4 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.350 0.583 19476 238 1 4 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.734 -7.949 19476 239 1 4 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.124 8.484 19476 240 1 4 . 1 1 17 17 CYS H H 17 7.823 7.823 7.340 0.483 19476 241 1 5 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.895 -2.654 19476 242 1 5 . 1 1 2 2 GLY H H 2 8.945 8.945 8.359 0.586 19476 243 1 5 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.706 -0.209 19476 244 1 5 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.542 -1.912 19476 245 1 5 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.801 12.701 19476 246 1 5 . 1 1 3 3 CYS H H 3 8.910 8.910 8.102 0.808 19476 247 1 5 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.516 -0.086 19476 248 1 5 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.975 -5.883 19476 249 1 5 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.659 8.561 19476 250 1 5 . 1 1 4 4 CYS H H 4 8.773 8.773 8.203 0.570 19476 251 1 5 . 1 1 5 5 SER HA H 5 4.518 4.518 4.523 -0.005 19476 252 1 5 . 1 1 5 5 SER CA C 5 55.783 55.783 58.308 -2.525 19476 253 1 5 . 1 1 5 5 SER CB C 5 60.742 60.742 64.125 -3.383 19476 254 1 5 . 1 1 5 5 SER H H 5 7.798 7.798 8.003 -0.205 19476 255 1 5 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.108 0.187 19476 256 1 5 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.256 -5.188 19476 257 1 5 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.959 -1.031 19476 258 1 5 . 1 1 6 6 ASN H H 6 8.073 8.073 8.568 -0.495 19476 259 1 5 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.646 -0.529 19476 260 1 5 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.159 -0.067 19476 261 1 5 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.052 -0.774 19476 262 1 5 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.423 -0.274 19476 263 1 5 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.059 -1.177 19476 264 1 5 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.487 -4.274 19476 265 1 5 . 1 1 8 8 ALA H H 8 7.807 7.807 8.294 -0.487 19476 266 1 5 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.441 -0.046 19476 267 1 5 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.451 -2.353 19476 268 1 5 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.885 11.500 19476 269 1 5 . 1 1 9 9 CYS H H 9 8.114 8.114 8.075 0.039 19476 270 1 5 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.979 0.018 19476 271 1 5 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.851 -3.035 19476 272 1 5 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.268 -2.718 19476 273 1 5 . 1 1 10 10 ARG H H 10 8.855 8.855 7.620 1.235 19476 274 1 5 . 1 1 11 11 THR HA H 11 3.891 3.891 4.114 -0.223 19476 275 1 5 . 1 1 11 11 THR CA C 11 62.717 62.717 64.952 -2.235 19476 276 1 5 . 1 1 11 11 THR CB C 11 66.074 66.074 67.792 -1.718 19476 277 1 5 . 1 1 11 11 THR H H 11 7.934 7.934 8.214 -0.280 19476 278 1 5 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.750 -0.146 19476 279 1 5 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.535 -2.510 19476 280 1 5 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.677 -4.099 19476 281 1 5 . 1 1 12 12 ASN H H 12 7.538 7.538 7.727 -0.189 19476 282 1 5 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.016 0.448 19476 283 1 5 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.457 -3.273 19476 284 1 5 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.067 -3.354 19476 285 1 5 . 1 1 13 13 HIS H H 13 7.818 7.818 8.342 -0.524 19476 286 1 5 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.279 0.129 19476 287 1 5 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.379 -2.064 19476 288 1 5 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.160 -3.793 19476 289 1 5 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.122 0.201 19476 290 1 5 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.908 -2.404 19476 291 1 5 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.459 -4.103 19476 292 1 5 . 1 1 15 15 GLU H H 15 9.729 9.729 8.496 1.233 19476 293 1 5 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.815 0.419 19476 294 1 5 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.447 -4.031 19476 295 1 5 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.205 -2.139 19476 296 1 5 . 1 1 16 16 VAL H H 16 7.514 7.514 7.417 0.097 19476 297 1 5 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.810 0.123 19476 298 1 5 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.661 -6.876 19476 299 1 5 . 1 1 17 17 CYS CB C 17 36.608 36.608 30.781 5.827 19476 300 1 5 . 1 1 17 17 CYS H H 17 7.823 7.823 8.013 -0.190 19476 301 1 6 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.707 -3.466 19476 302 1 6 . 1 1 2 2 GLY H H 2 8.945 8.945 8.823 0.122 19476 303 1 6 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.912 -0.415 19476 304 1 6 . 1 1 3 3 CYS CA C 3 55.630 55.630 56.899 -1.269 19476 305 1 6 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.260 12.242 19476 306 1 6 . 1 1 3 3 CYS H H 3 8.910 8.910 8.108 0.802 19476 307 1 6 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.467 -0.037 19476 308 1 6 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.764 -6.672 19476 309 1 6 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.363 8.857 19476 310 1 6 . 1 1 4 4 CYS H H 4 8.773 8.773 8.367 0.406 19476 311 1 6 . 1 1 5 5 SER HA H 5 4.518 4.518 4.399 0.119 19476 312 1 6 . 1 1 5 5 SER CA C 5 55.783 55.783 58.460 -2.677 19476 313 1 6 . 1 1 5 5 SER CB C 5 60.742 60.742 63.700 -2.958 19476 314 1 6 . 1 1 5 5 SER H H 5 7.798 7.798 8.616 -0.818 19476 315 1 6 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.094 0.201 19476 316 1 6 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.305 -4.237 19476 317 1 6 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.769 -0.841 19476 318 1 6 . 1 1 6 6 ASN H H 6 8.073 8.073 8.279 -0.206 19476 319 1 6 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.569 -0.452 19476 320 1 6 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.142 -0.050 19476 321 1 6 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.631 -1.353 19476 322 1 6 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.390 -0.241 19476 323 1 6 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.302 -1.420 19476 324 1 6 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.597 -4.384 19476 325 1 6 . 1 1 8 8 ALA H H 8 7.807 7.807 8.121 -0.314 19476 326 1 6 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.604 -0.209 19476 327 1 6 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.035 -1.937 19476 328 1 6 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.362 11.023 19476 329 1 6 . 1 1 9 9 CYS H H 9 8.114 8.114 8.002 0.112 19476 330 1 6 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.933 0.064 19476 331 1 6 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.813 -2.997 19476 332 1 6 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.308 -2.758 19476 333 1 6 . 1 1 10 10 ARG H H 10 8.855 8.855 7.611 1.244 19476 334 1 6 . 1 1 11 11 THR HA H 11 3.891 3.891 4.095 -0.204 19476 335 1 6 . 1 1 11 11 THR CA C 11 62.717 62.717 65.465 -2.748 19476 336 1 6 . 1 1 11 11 THR CB C 11 66.074 66.074 68.132 -2.058 19476 337 1 6 . 1 1 11 11 THR H H 11 7.934 7.934 8.552 -0.618 19476 338 1 6 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.822 -0.218 19476 339 1 6 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.708 -2.683 19476 340 1 6 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.937 -3.359 19476 341 1 6 . 1 1 12 12 ASN H H 12 7.538 7.538 7.886 -0.348 19476 342 1 6 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.057 0.407 19476 343 1 6 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.757 -2.573 19476 344 1 6 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.247 -3.534 19476 345 1 6 . 1 1 13 13 HIS H H 13 7.818 7.818 8.167 -0.349 19476 346 1 6 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.314 0.094 19476 347 1 6 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.120 -1.805 19476 348 1 6 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.194 -3.827 19476 349 1 6 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.177 0.146 19476 350 1 6 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.998 -2.494 19476 351 1 6 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.990 -4.634 19476 352 1 6 . 1 1 15 15 GLU H H 15 9.729 9.729 8.315 1.414 19476 353 1 6 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.069 0.165 19476 354 1 6 . 1 1 16 16 VAL CA C 16 60.416 60.416 63.177 -2.761 19476 355 1 6 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.173 -1.107 19476 356 1 6 . 1 1 16 16 VAL H H 16 7.514 7.514 7.632 -0.118 19476 357 1 6 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.652 0.281 19476 358 1 6 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.828 -7.043 19476 359 1 6 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.172 7.436 19476 360 1 6 . 1 1 17 17 CYS H H 17 7.823 7.823 7.643 0.180 19476 361 1 7 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.131 -2.890 19476 362 1 7 . 1 1 2 2 GLY H H 2 8.945 8.945 8.528 0.417 19476 363 1 7 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.979 -0.482 19476 364 1 7 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.227 -1.597 19476 365 1 7 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.113 13.389 19476 366 1 7 . 1 1 3 3 CYS H H 3 8.910 8.910 7.786 1.124 19476 367 1 7 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.832 -0.402 19476 368 1 7 . 1 1 4 4 CYS CA C 4 53.092 53.092 56.397 -3.305 19476 369 1 7 . 1 1 4 4 CYS CB C 4 33.220 33.220 26.293 6.927 19476 370 1 7 . 1 1 4 4 CYS H H 4 8.773 8.773 8.003 0.770 19476 371 1 7 . 1 1 5 5 SER HA H 5 4.518 4.518 4.413 0.105 19476 372 1 7 . 1 1 5 5 SER CA C 5 55.783 55.783 58.701 -2.918 19476 373 1 7 . 1 1 5 5 SER CB C 5 60.742 60.742 63.430 -2.688 19476 374 1 7 . 1 1 5 5 SER H H 5 7.798 7.798 8.568 -0.770 19476 375 1 7 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.233 0.062 19476 376 1 7 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.199 -3.131 19476 377 1 7 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.974 -2.046 19476 378 1 7 . 1 1 6 6 ASN H H 6 8.073 8.073 8.098 -0.025 19476 379 1 7 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.492 -0.375 19476 380 1 7 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.605 -0.513 19476 381 1 7 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.528 -2.250 19476 382 1 7 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.300 -0.151 19476 383 1 7 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.852 -1.970 19476 384 1 7 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.905 -3.692 19476 385 1 7 . 1 1 8 8 ALA H H 8 7.807 7.807 7.958 -0.151 19476 386 1 7 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.378 0.017 19476 387 1 7 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.822 -1.724 19476 388 1 7 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.348 12.037 19476 389 1 7 . 1 1 9 9 CYS H H 9 8.114 8.114 8.112 0.002 19476 390 1 7 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.175 -0.178 19476 391 1 7 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.456 -2.640 19476 392 1 7 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.046 -2.496 19476 393 1 7 . 1 1 10 10 ARG H H 10 8.855 8.855 7.747 1.108 19476 394 1 7 . 1 1 11 11 THR HA H 11 3.891 3.891 4.116 -0.225 19476 395 1 7 . 1 1 11 11 THR CA C 11 62.717 62.717 64.472 -1.755 19476 396 1 7 . 1 1 11 11 THR CB C 11 66.074 66.074 68.307 -2.233 19476 397 1 7 . 1 1 11 11 THR H H 11 7.934 7.934 8.071 -0.137 19476 398 1 7 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.604 0.000 19476 399 1 7 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.780 -2.755 19476 400 1 7 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.609 -3.031 19476 401 1 7 . 1 1 12 12 ASN H H 12 7.538 7.538 7.536 0.002 19476 402 1 7 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.993 0.471 19476 403 1 7 . 1 1 13 13 HIS CA C 13 51.184 51.184 52.465 -1.282 19476 404 1 7 . 1 1 13 13 HIS CB C 13 25.713 25.713 27.830 -2.117 19476 405 1 7 . 1 1 13 13 HIS H H 13 7.818 7.818 7.660 0.158 19476 406 1 7 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.617 -0.208 19476 407 1 7 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.448 -2.132 19476 408 1 7 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.506 -4.139 19476 409 1 7 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.272 0.051 19476 410 1 7 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.655 -2.151 19476 411 1 7 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.462 -5.106 19476 412 1 7 . 1 1 15 15 GLU H H 15 9.729 9.729 8.772 0.957 19476 413 1 7 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.843 0.391 19476 414 1 7 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.476 -4.060 19476 415 1 7 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.195 -2.129 19476 416 1 7 . 1 1 16 16 VAL H H 16 7.514 7.514 7.930 -0.416 19476 417 1 7 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.511 0.422 19476 418 1 7 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.894 -7.109 19476 419 1 7 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.231 7.377 19476 420 1 7 . 1 1 17 17 CYS H H 17 7.823 7.823 7.921 -0.098 19476 421 1 8 . 1 1 2 2 GLY CA C 2 42.241 42.241 46.029 -3.788 19476 422 1 8 . 1 1 2 2 GLY H H 2 8.945 8.945 8.455 0.490 19476 423 1 8 . 1 1 3 3 CYS HA H 3 4.497 4.497 5.064 -0.567 19476 424 1 8 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.147 -1.517 19476 425 1 8 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.340 12.162 19476 426 1 8 . 1 1 3 3 CYS H H 3 8.910 8.910 7.922 0.988 19476 427 1 8 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.541 -0.111 19476 428 1 8 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.747 -5.655 19476 429 1 8 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.809 8.411 19476 430 1 8 . 1 1 4 4 CYS H H 4 8.773 8.773 8.316 0.457 19476 431 1 8 . 1 1 5 5 SER HA H 5 4.518 4.518 4.384 0.134 19476 432 1 8 . 1 1 5 5 SER CA C 5 55.783 55.783 58.362 -2.579 19476 433 1 8 . 1 1 5 5 SER CB C 5 60.742 60.742 63.612 -2.870 19476 434 1 8 . 1 1 5 5 SER H H 5 7.798 7.798 8.740 -0.942 19476 435 1 8 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.135 0.160 19476 436 1 8 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.859 -3.792 19476 437 1 8 . 1 1 6 6 ASN CB C 6 37.928 37.928 40.624 -2.696 19476 438 1 8 . 1 1 6 6 ASN H H 6 8.073 8.073 8.076 -0.003 19476 439 1 8 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.608 -0.491 19476 440 1 8 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.700 -0.608 19476 441 1 8 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.134 -1.855 19476 442 1 8 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.338 -0.189 19476 443 1 8 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.458 -1.576 19476 444 1 8 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.775 -3.562 19476 445 1 8 . 1 1 8 8 ALA H H 8 7.807 7.807 8.228 -0.421 19476 446 1 8 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.118 0.277 19476 447 1 8 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.362 -2.264 19476 448 1 8 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.141 12.244 19476 449 1 8 . 1 1 9 9 CYS H H 9 8.114 8.114 8.323 -0.209 19476 450 1 8 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.985 0.012 19476 451 1 8 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.638 -2.821 19476 452 1 8 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.239 -2.689 19476 453 1 8 . 1 1 10 10 ARG H H 10 8.855 8.855 7.503 1.352 19476 454 1 8 . 1 1 11 11 THR HA H 11 3.891 3.891 4.157 -0.266 19476 455 1 8 . 1 1 11 11 THR CA C 11 62.717 62.717 64.962 -2.245 19476 456 1 8 . 1 1 11 11 THR CB C 11 66.074 66.074 68.000 -1.926 19476 457 1 8 . 1 1 11 11 THR H H 11 7.934 7.934 8.183 -0.249 19476 458 1 8 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.672 -0.068 19476 459 1 8 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.545 -2.520 19476 460 1 8 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.302 -3.724 19476 461 1 8 . 1 1 12 12 ASN H H 12 7.538 7.538 7.517 0.021 19476 462 1 8 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.117 0.347 19476 463 1 8 . 1 1 13 13 HIS CA C 13 51.184 51.184 52.295 -1.111 19476 464 1 8 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.463 -3.750 19476 465 1 8 . 1 1 13 13 HIS H H 13 7.818 7.818 7.514 0.304 19476 466 1 8 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.586 -0.178 19476 467 1 8 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.376 -2.061 19476 468 1 8 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.559 -4.192 19476 469 1 8 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.170 0.153 19476 470 1 8 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.536 -3.032 19476 471 1 8 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.122 -4.766 19476 472 1 8 . 1 1 15 15 GLU H H 15 9.729 9.729 8.547 1.182 19476 473 1 8 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.845 0.389 19476 474 1 8 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.133 -4.717 19476 475 1 8 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.048 -1.982 19476 476 1 8 . 1 1 16 16 VAL H H 16 7.514 7.514 7.924 -0.410 19476 477 1 8 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.532 0.401 19476 478 1 8 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.757 -6.972 19476 479 1 8 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.792 7.816 19476 480 1 8 . 1 1 17 17 CYS H H 17 7.823 7.823 7.844 -0.021 19476 481 1 9 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.944 -2.703 19476 482 1 9 . 1 1 2 2 GLY H H 2 8.945 8.945 8.317 0.628 19476 483 1 9 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.819 -0.322 19476 484 1 9 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.758 -2.127 19476 485 1 9 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.902 12.600 19476 486 1 9 . 1 1 3 3 CYS H H 3 8.910 8.910 7.962 0.948 19476 487 1 9 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.646 -0.216 19476 488 1 9 . 1 1 4 4 CYS CA C 4 53.092 53.092 57.709 -4.617 19476 489 1 9 . 1 1 4 4 CYS CB C 4 33.220 33.220 25.291 7.928 19476 490 1 9 . 1 1 4 4 CYS H H 4 8.773 8.773 7.904 0.869 19476 491 1 9 . 1 1 5 5 SER HA H 5 4.518 4.518 4.373 0.145 19476 492 1 9 . 1 1 5 5 SER CA C 5 55.783 55.783 59.366 -3.583 19476 493 1 9 . 1 1 5 5 SER CB C 5 60.742 60.742 63.507 -2.765 19476 494 1 9 . 1 1 5 5 SER H H 5 7.798 7.798 8.563 -0.765 19476 495 1 9 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.262 0.033 19476 496 1 9 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.591 -3.523 19476 497 1 9 . 1 1 6 6 ASN CB C 6 37.928 37.928 40.204 -2.276 19476 498 1 9 . 1 1 6 6 ASN H H 6 8.073 8.073 7.661 0.412 19476 499 1 9 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.496 -0.379 19476 500 1 9 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.706 -1.614 19476 501 1 9 . 1 1 7 7 PRO CB C 7 29.278 29.278 32.189 -2.911 19476 502 1 9 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.345 -0.196 19476 503 1 9 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.582 -1.700 19476 504 1 9 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.714 -3.501 19476 505 1 9 . 1 1 8 8 ALA H H 8 7.807 7.807 7.893 -0.086 19476 506 1 9 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.379 0.016 19476 507 1 9 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.775 -1.677 19476 508 1 9 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.118 11.267 19476 509 1 9 . 1 1 9 9 CYS H H 9 8.114 8.114 7.792 0.322 19476 510 1 9 . 1 1 10 10 ARG HA H 10 3.997 3.997 3.949 0.048 19476 511 1 9 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.640 -2.824 19476 512 1 9 . 1 1 10 10 ARG CB C 10 27.550 27.550 29.919 -2.369 19476 513 1 9 . 1 1 10 10 ARG H H 10 8.855 8.855 7.770 1.085 19476 514 1 9 . 1 1 11 11 THR HA H 11 3.891 3.891 4.038 -0.147 19476 515 1 9 . 1 1 11 11 THR CA C 11 62.717 62.717 65.056 -2.339 19476 516 1 9 . 1 1 11 11 THR CB C 11 66.074 66.074 68.408 -2.334 19476 517 1 9 . 1 1 11 11 THR H H 11 7.934 7.934 7.846 0.088 19476 518 1 9 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.562 0.042 19476 519 1 9 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.744 -2.719 19476 520 1 9 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.034 -2.456 19476 521 1 9 . 1 1 12 12 ASN H H 12 7.538 7.538 7.398 0.140 19476 522 1 9 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.936 0.528 19476 523 1 9 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.599 -2.415 19476 524 1 9 . 1 1 13 13 HIS CB C 13 25.713 25.713 27.904 -2.191 19476 525 1 9 . 1 1 13 13 HIS H H 13 7.818 7.818 7.687 0.131 19476 526 1 9 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.626 -0.218 19476 527 1 9 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.229 -1.914 19476 528 1 9 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.404 -4.037 19476 529 1 9 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.188 0.135 19476 530 1 9 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.537 -3.033 19476 531 1 9 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.996 -4.640 19476 532 1 9 . 1 1 15 15 GLU H H 15 9.729 9.729 8.741 0.988 19476 533 1 9 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.844 0.390 19476 534 1 9 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.173 -4.757 19476 535 1 9 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.914 -1.848 19476 536 1 9 . 1 1 16 16 VAL H H 16 7.514 7.514 8.149 -0.635 19476 537 1 9 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.524 0.409 19476 538 1 9 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.580 -6.795 19476 539 1 9 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.917 7.691 19476 540 1 9 . 1 1 17 17 CYS H H 17 7.823 7.823 7.904 -0.081 19476 541 1 10 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.025 -2.784 19476 542 1 10 . 1 1 2 2 GLY H H 2 8.945 8.945 8.576 0.369 19476 543 1 10 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.708 -0.211 19476 544 1 10 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.124 -1.494 19476 545 1 10 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.729 12.773 19476 546 1 10 . 1 1 3 3 CYS H H 3 8.910 8.910 8.072 0.838 19476 547 1 10 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.524 -0.094 19476 548 1 10 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.064 -5.972 19476 549 1 10 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.641 8.579 19476 550 1 10 . 1 1 4 4 CYS H H 4 8.773 8.773 8.254 0.519 19476 551 1 10 . 1 1 5 5 SER HA H 5 4.518 4.518 4.491 0.027 19476 552 1 10 . 1 1 5 5 SER CA C 5 55.783 55.783 58.550 -2.767 19476 553 1 10 . 1 1 5 5 SER CB C 5 60.742 60.742 63.969 -3.227 19476 554 1 10 . 1 1 5 5 SER H H 5 7.798 7.798 8.376 -0.578 19476 555 1 10 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.104 0.191 19476 556 1 10 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.780 -4.712 19476 557 1 10 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.048 -1.120 19476 558 1 10 . 1 1 6 6 ASN H H 6 8.073 8.073 8.423 -0.350 19476 559 1 10 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.508 -0.391 19476 560 1 10 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.105 -0.013 19476 561 1 10 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.698 -1.420 19476 562 1 10 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.383 -0.234 19476 563 1 10 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.315 -1.433 19476 564 1 10 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.619 -4.406 19476 565 1 10 . 1 1 8 8 ALA H H 8 7.807 7.807 8.059 -0.252 19476 566 1 10 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.687 -0.292 19476 567 1 10 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.610 -1.512 19476 568 1 10 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.692 10.693 19476 569 1 10 . 1 1 9 9 CYS H H 9 8.114 8.114 7.894 0.220 19476 570 1 10 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.035 -0.038 19476 571 1 10 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.905 -3.089 19476 572 1 10 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.366 -2.817 19476 573 1 10 . 1 1 10 10 ARG H H 10 8.855 8.855 7.657 1.198 19476 574 1 10 . 1 1 11 11 THR HA H 11 3.891 3.891 4.171 -0.280 19476 575 1 10 . 1 1 11 11 THR CA C 11 62.717 62.717 64.707 -1.990 19476 576 1 10 . 1 1 11 11 THR CB C 11 66.074 66.074 67.816 -1.742 19476 577 1 10 . 1 1 11 11 THR H H 11 7.934 7.934 8.152 -0.218 19476 578 1 10 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.776 -0.172 19476 579 1 10 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.388 -2.363 19476 580 1 10 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.276 -3.698 19476 581 1 10 . 1 1 12 12 ASN H H 12 7.538 7.538 7.889 -0.351 19476 582 1 10 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.986 0.478 19476 583 1 10 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.379 -3.195 19476 584 1 10 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.119 -3.405 19476 585 1 10 . 1 1 13 13 HIS H H 13 7.818 7.818 8.221 -0.403 19476 586 1 10 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.309 0.099 19476 587 1 10 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.067 -1.752 19476 588 1 10 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.215 -3.848 19476 589 1 10 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.121 0.202 19476 590 1 10 . 1 1 15 15 GLU CA C 15 55.504 55.504 57.933 -2.429 19476 591 1 10 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.074 -4.718 19476 592 1 10 . 1 1 15 15 GLU H H 15 9.729 9.729 8.295 1.434 19476 593 1 10 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.766 0.468 19476 594 1 10 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.325 -4.909 19476 595 1 10 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.865 -1.799 19476 596 1 10 . 1 1 16 16 VAL H H 16 7.514 7.514 7.779 -0.265 19476 597 1 10 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.585 0.348 19476 598 1 10 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.720 -6.935 19476 599 1 10 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.268 8.340 19476 600 1 10 . 1 1 17 17 CYS H H 17 7.823 7.823 7.877 -0.054 19476 601 1 11 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.967 -2.726 19476 602 1 11 . 1 1 2 2 GLY H H 2 8.945 8.945 8.443 0.502 19476 603 1 11 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.683 -0.186 19476 604 1 11 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.980 -2.350 19476 605 1 11 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.844 11.658 19476 606 1 11 . 1 1 3 3 CYS H H 3 8.910 8.910 7.996 0.914 19476 607 1 11 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.577 -0.147 19476 608 1 11 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.340 -6.248 19476 609 1 11 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.479 8.741 19476 610 1 11 . 1 1 4 4 CYS H H 4 8.773 8.773 8.412 0.361 19476 611 1 11 . 1 1 5 5 SER HA H 5 4.518 4.518 4.483 0.035 19476 612 1 11 . 1 1 5 5 SER CA C 5 55.783 55.783 58.888 -3.105 19476 613 1 11 . 1 1 5 5 SER CB C 5 60.742 60.742 63.607 -2.865 19476 614 1 11 . 1 1 5 5 SER H H 5 7.798 7.798 8.168 -0.370 19476 615 1 11 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.108 0.187 19476 616 1 11 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.543 -4.475 19476 617 1 11 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.292 -0.364 19476 618 1 11 . 1 1 6 6 ASN H H 6 8.073 8.073 8.606 -0.533 19476 619 1 11 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.586 -0.469 19476 620 1 11 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.397 -0.305 19476 621 1 11 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.181 -0.903 19476 622 1 11 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.360 -0.211 19476 623 1 11 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.258 -1.376 19476 624 1 11 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.564 -4.351 19476 625 1 11 . 1 1 8 8 ALA H H 8 7.807 7.807 8.080 -0.273 19476 626 1 11 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.395 -0.000 19476 627 1 11 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.381 -2.283 19476 628 1 11 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.965 11.420 19476 629 1 11 . 1 1 9 9 CYS H H 9 8.114 8.114 8.140 -0.026 19476 630 1 11 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.218 -0.221 19476 631 1 11 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.719 -2.903 19476 632 1 11 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.635 -3.085 19476 633 1 11 . 1 1 10 10 ARG H H 10 8.855 8.855 7.581 1.274 19476 634 1 11 . 1 1 11 11 THR HA H 11 3.891 3.891 4.329 -0.438 19476 635 1 11 . 1 1 11 11 THR CA C 11 62.717 62.717 63.714 -0.997 19476 636 1 11 . 1 1 11 11 THR CB C 11 66.074 66.074 67.805 -1.730 19476 637 1 11 . 1 1 11 11 THR H H 11 7.934 7.934 8.533 -0.599 19476 638 1 11 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.839 -0.235 19476 639 1 11 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.501 -2.476 19476 640 1 11 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.070 -3.492 19476 641 1 11 . 1 1 12 12 ASN H H 12 7.538 7.538 7.649 -0.111 19476 642 1 11 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.960 0.504 19476 643 1 11 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.401 -3.217 19476 644 1 11 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.745 -3.033 19476 645 1 11 . 1 1 13 13 HIS H H 13 7.818 7.818 8.413 -0.595 19476 646 1 11 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.313 0.095 19476 647 1 11 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.123 -1.808 19476 648 1 11 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.120 -3.753 19476 649 1 11 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.075 0.248 19476 650 1 11 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.447 -2.943 19476 651 1 11 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.035 -4.679 19476 652 1 11 . 1 1 15 15 GLU H H 15 9.729 9.729 8.246 1.483 19476 653 1 11 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.726 0.508 19476 654 1 11 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.666 -4.250 19476 655 1 11 . 1 1 16 16 VAL CB C 16 30.066 30.066 32.265 -2.199 19476 656 1 11 . 1 1 16 16 VAL H H 16 7.514 7.514 7.602 -0.088 19476 657 1 11 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.712 0.221 19476 658 1 11 . 1 1 17 17 CYS CA C 17 51.785 51.785 57.733 -5.948 19476 659 1 11 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.454 8.154 19476 660 1 11 . 1 1 17 17 CYS H H 17 7.823 7.823 7.770 0.053 19476 661 1 12 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.018 -2.777 19476 662 1 12 . 1 1 2 2 GLY H H 2 8.945 8.945 8.535 0.410 19476 663 1 12 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.690 -0.193 19476 664 1 12 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.851 -2.221 19476 665 1 12 . 1 1 3 3 CYS CB C 3 39.502 39.502 28.015 11.487 19476 666 1 12 . 1 1 3 3 CYS H H 3 8.910 8.910 7.926 0.984 19476 667 1 12 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.516 -0.086 19476 668 1 12 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.647 -6.555 19476 669 1 12 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.381 8.839 19476 670 1 12 . 1 1 4 4 CYS H H 4 8.773 8.773 8.434 0.339 19476 671 1 12 . 1 1 5 5 SER HA H 5 4.518 4.518 4.445 0.073 19476 672 1 12 . 1 1 5 5 SER CA C 5 55.783 55.783 58.397 -2.614 19476 673 1 12 . 1 1 5 5 SER CB C 5 60.742 60.742 63.843 -3.101 19476 674 1 12 . 1 1 5 5 SER H H 5 7.798 7.798 8.551 -0.753 19476 675 1 12 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.180 0.115 19476 676 1 12 . 1 1 6 6 ASN CA C 6 47.068 47.068 50.739 -3.671 19476 677 1 12 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.393 -1.465 19476 678 1 12 . 1 1 6 6 ASN H H 6 8.073 8.073 8.343 -0.270 19476 679 1 12 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.536 -0.419 19476 680 1 12 . 1 1 7 7 PRO CA C 7 63.092 63.092 63.539 -0.447 19476 681 1 12 . 1 1 7 7 PRO CB C 7 29.278 29.278 30.069 -0.791 19476 682 1 12 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.347 -0.198 19476 683 1 12 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.572 -1.690 19476 684 1 12 . 1 1 8 8 ALA CB C 8 15.213 15.213 19.834 -4.622 19476 685 1 12 . 1 1 8 8 ALA H H 8 7.807 7.807 8.317 -0.510 19476 686 1 12 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.439 -0.044 19476 687 1 12 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.951 -1.853 19476 688 1 12 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.860 11.525 19476 689 1 12 . 1 1 9 9 CYS H H 9 8.114 8.114 8.166 -0.052 19476 690 1 12 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.160 -0.163 19476 691 1 12 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.609 -2.793 19476 692 1 12 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.572 -3.022 19476 693 1 12 . 1 1 10 10 ARG H H 10 8.855 8.855 7.660 1.195 19476 694 1 12 . 1 1 11 11 THR HA H 11 3.891 3.891 4.333 -0.442 19476 695 1 12 . 1 1 11 11 THR CA C 11 62.717 62.717 64.146 -1.429 19476 696 1 12 . 1 1 11 11 THR CB C 11 66.074 66.074 67.293 -1.220 19476 697 1 12 . 1 1 11 11 THR H H 11 7.934 7.934 8.438 -0.504 19476 698 1 12 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.836 -0.232 19476 699 1 12 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.588 -2.563 19476 700 1 12 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.903 -4.325 19476 701 1 12 . 1 1 12 12 ASN H H 12 7.538 7.538 8.106 -0.568 19476 702 1 12 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.020 0.444 19476 703 1 12 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.228 -3.044 19476 704 1 12 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.945 -3.232 19476 705 1 12 . 1 1 13 13 HIS H H 13 7.818 7.818 8.404 -0.586 19476 706 1 12 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.279 0.129 19476 707 1 12 . 1 1 14 14 PRO CA C 14 62.315 62.315 63.878 -1.563 19476 708 1 12 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.027 -3.660 19476 709 1 12 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.047 0.276 19476 710 1 12 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.480 -2.975 19476 711 1 12 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.063 -4.707 19476 712 1 12 . 1 1 15 15 GLU H H 15 9.729 9.729 8.187 1.542 19476 713 1 12 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.728 0.506 19476 714 1 12 . 1 1 16 16 VAL CA C 16 60.416 60.416 65.314 -4.898 19476 715 1 12 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.897 -1.831 19476 716 1 12 . 1 1 16 16 VAL H H 16 7.514 7.514 7.725 -0.211 19476 717 1 12 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.540 0.393 19476 718 1 12 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.064 -6.279 19476 719 1 12 . 1 1 17 17 CYS CB C 17 36.608 36.608 27.923 8.685 19476 720 1 12 . 1 1 17 17 CYS H H 17 7.823 7.823 8.101 -0.278 19476 721 1 13 . 1 1 2 2 GLY CA C 2 42.241 42.241 44.838 -2.597 19476 722 1 13 . 1 1 2 2 GLY H H 2 8.945 8.945 8.655 0.290 19476 723 1 13 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.718 -0.221 19476 724 1 13 . 1 1 3 3 CYS CA C 3 55.630 55.630 56.996 -1.366 19476 725 1 13 . 1 1 3 3 CYS CB C 3 39.502 39.502 25.659 13.843 19476 726 1 13 . 1 1 3 3 CYS H H 3 8.910 8.910 8.037 0.873 19476 727 1 13 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.875 -0.445 19476 728 1 13 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.053 -5.960 19476 729 1 13 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.405 8.815 19476 730 1 13 . 1 1 4 4 CYS H H 4 8.773 8.773 8.382 0.391 19476 731 1 13 . 1 1 5 5 SER HA H 5 4.518 4.518 4.420 0.098 19476 732 1 13 . 1 1 5 5 SER CA C 5 55.783 55.783 58.371 -2.588 19476 733 1 13 . 1 1 5 5 SER CB C 5 60.742 60.742 63.383 -2.641 19476 734 1 13 . 1 1 5 5 SER H H 5 7.798 7.798 8.432 -0.634 19476 735 1 13 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.043 0.252 19476 736 1 13 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.203 -5.135 19476 737 1 13 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.863 -0.935 19476 738 1 13 . 1 1 6 6 ASN H H 6 8.073 8.073 8.243 -0.170 19476 739 1 13 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.292 -0.175 19476 740 1 13 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.862 -1.770 19476 741 1 13 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.789 -2.511 19476 742 1 13 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.391 -0.242 19476 743 1 13 . 1 1 8 8 ALA CA C 8 51.882 51.882 54.123 -2.241 19476 744 1 13 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.302 -3.089 19476 745 1 13 . 1 1 8 8 ALA H H 8 7.807 7.807 8.053 -0.246 19476 746 1 13 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.456 -0.061 19476 747 1 13 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.431 -1.333 19476 748 1 13 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.954 11.431 19476 749 1 13 . 1 1 9 9 CYS H H 9 8.114 8.114 8.202 -0.088 19476 750 1 13 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.274 -0.277 19476 751 1 13 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.713 -2.897 19476 752 1 13 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.028 -2.478 19476 753 1 13 . 1 1 10 10 ARG H H 10 8.855 8.855 7.763 1.092 19476 754 1 13 . 1 1 11 11 THR HA H 11 3.891 3.891 4.143 -0.252 19476 755 1 13 . 1 1 11 11 THR CA C 11 62.717 62.717 64.679 -1.962 19476 756 1 13 . 1 1 11 11 THR CB C 11 66.074 66.074 68.606 -2.532 19476 757 1 13 . 1 1 11 11 THR H H 11 7.934 7.934 7.732 0.202 19476 758 1 13 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.768 -0.164 19476 759 1 13 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.327 -2.302 19476 760 1 13 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.834 -3.256 19476 761 1 13 . 1 1 12 12 ASN H H 12 7.538 7.538 7.856 -0.318 19476 762 1 13 . 1 1 13 13 HIS HA H 13 5.464 5.464 4.990 0.474 19476 763 1 13 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.449 -3.265 19476 764 1 13 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.920 -3.207 19476 765 1 13 . 1 1 13 13 HIS H H 13 7.818 7.818 8.154 -0.336 19476 766 1 13 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.356 0.052 19476 767 1 13 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.569 -2.254 19476 768 1 13 . 1 1 14 14 PRO CB C 14 28.367 28.367 31.968 -3.601 19476 769 1 13 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.098 0.225 19476 770 1 13 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.275 -2.771 19476 771 1 13 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.761 -4.405 19476 772 1 13 . 1 1 15 15 GLU H H 15 9.729 9.729 8.360 1.369 19476 773 1 13 . 1 1 16 16 VAL HA H 16 4.234 4.234 4.019 0.215 19476 774 1 13 . 1 1 16 16 VAL CA C 16 60.416 60.416 62.681 -2.265 19476 775 1 13 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.794 -1.728 19476 776 1 13 . 1 1 16 16 VAL H H 16 7.514 7.514 7.481 0.033 19476 777 1 13 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.696 0.237 19476 778 1 13 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.441 -6.655 19476 779 1 13 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.447 7.161 19476 780 1 13 . 1 1 17 17 CYS H H 17 7.823 7.823 7.499 0.324 19476 781 1 14 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.410 -3.169 19476 782 1 14 . 1 1 2 2 GLY H H 2 8.945 8.945 8.557 0.388 19476 783 1 14 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.790 -0.293 19476 784 1 14 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.231 -1.601 19476 785 1 14 . 1 1 3 3 CYS CB C 3 39.502 39.502 26.659 12.843 19476 786 1 14 . 1 1 3 3 CYS H H 3 8.910 8.910 8.074 0.836 19476 787 1 14 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.426 0.004 19476 788 1 14 . 1 1 4 4 CYS CA C 4 53.092 53.092 59.665 -6.573 19476 789 1 14 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.642 8.578 19476 790 1 14 . 1 1 4 4 CYS H H 4 8.773 8.773 8.339 0.434 19476 791 1 14 . 1 1 5 5 SER HA H 5 4.518 4.518 4.492 0.026 19476 792 1 14 . 1 1 5 5 SER CA C 5 55.783 55.783 58.340 -2.557 19476 793 1 14 . 1 1 5 5 SER CB C 5 60.742 60.742 63.870 -3.128 19476 794 1 14 . 1 1 5 5 SER H H 5 7.798 7.798 8.297 -0.499 19476 795 1 14 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.082 0.213 19476 796 1 14 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.052 -4.984 19476 797 1 14 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.393 -1.465 19476 798 1 14 . 1 1 6 6 ASN H H 6 8.073 8.073 8.569 -0.496 19476 799 1 14 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.383 -0.266 19476 800 1 14 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.844 -1.752 19476 801 1 14 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.897 -2.619 19476 802 1 14 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.468 -0.319 19476 803 1 14 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.600 -1.718 19476 804 1 14 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.413 -3.200 19476 805 1 14 . 1 1 8 8 ALA H H 8 7.807 7.807 8.006 -0.199 19476 806 1 14 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.465 -0.070 19476 807 1 14 . 1 1 9 9 CYS CA C 9 58.098 58.098 59.851 -1.753 19476 808 1 14 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.139 11.246 19476 809 1 14 . 1 1 9 9 CYS H H 9 8.114 8.114 8.191 -0.077 19476 810 1 14 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.004 -0.007 19476 811 1 14 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.596 -2.780 19476 812 1 14 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.009 -2.459 19476 813 1 14 . 1 1 10 10 ARG H H 10 8.855 8.855 7.841 1.014 19476 814 1 14 . 1 1 11 11 THR HA H 11 3.891 3.891 4.116 -0.225 19476 815 1 14 . 1 1 11 11 THR CA C 11 62.717 62.717 64.648 -1.931 19476 816 1 14 . 1 1 11 11 THR CB C 11 66.074 66.074 68.470 -2.396 19476 817 1 14 . 1 1 11 11 THR H H 11 7.934 7.934 7.735 0.199 19476 818 1 14 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.720 -0.116 19476 819 1 14 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.765 -2.740 19476 820 1 14 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.223 -3.645 19476 821 1 14 . 1 1 12 12 ASN H H 12 7.538 7.538 7.737 -0.199 19476 822 1 14 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.040 0.424 19476 823 1 14 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.475 -2.291 19476 824 1 14 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.175 -3.462 19476 825 1 14 . 1 1 13 13 HIS H H 13 7.818 7.818 8.077 -0.259 19476 826 1 14 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.258 0.150 19476 827 1 14 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.279 -1.964 19476 828 1 14 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.266 -3.899 19476 829 1 14 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.148 0.175 19476 830 1 14 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.286 -2.782 19476 831 1 14 . 1 1 15 15 GLU CB C 15 24.356 24.356 28.942 -4.586 19476 832 1 14 . 1 1 15 15 GLU H H 15 9.729 9.729 8.352 1.377 19476 833 1 14 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.954 0.280 19476 834 1 14 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.293 -3.877 19476 835 1 14 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.941 -1.875 19476 836 1 14 . 1 1 16 16 VAL H H 16 7.514 7.514 7.825 -0.311 19476 837 1 14 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.621 0.312 19476 838 1 14 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.624 -6.839 19476 839 1 14 . 1 1 17 17 CYS CB C 17 36.608 36.608 29.521 7.087 19476 840 1 14 . 1 1 17 17 CYS H H 17 7.823 7.823 7.644 0.179 19476 841 1 15 . 1 1 2 2 GLY CA C 2 42.241 42.241 45.605 -3.364 19476 842 1 15 . 1 1 2 2 GLY H H 2 8.945 8.945 8.691 0.254 19476 843 1 15 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.851 -0.354 19476 844 1 15 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.973 -2.343 19476 845 1 15 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.572 11.930 19476 846 1 15 . 1 1 3 3 CYS H H 3 8.910 8.910 8.262 0.648 19476 847 1 15 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.662 -0.232 19476 848 1 15 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.773 -5.681 19476 849 1 15 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.874 8.346 19476 850 1 15 . 1 1 4 4 CYS H H 4 8.773 8.773 8.782 -0.009 19476 851 1 15 . 1 1 5 5 SER HA H 5 4.518 4.518 4.420 0.098 19476 852 1 15 . 1 1 5 5 SER CA C 5 55.783 55.783 58.735 -2.952 19476 853 1 15 . 1 1 5 5 SER CB C 5 60.742 60.742 63.548 -2.806 19476 854 1 15 . 1 1 5 5 SER H H 5 7.798 7.798 8.215 -0.417 19476 855 1 15 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.035 0.260 19476 856 1 15 . 1 1 6 6 ASN CA C 6 47.068 47.068 52.563 -5.495 19476 857 1 15 . 1 1 6 6 ASN CB C 6 37.928 37.928 38.327 -0.398 19476 858 1 15 . 1 1 6 6 ASN H H 6 8.073 8.073 8.581 -0.508 19476 859 1 15 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.320 -0.203 19476 860 1 15 . 1 1 7 7 PRO CA C 7 63.092 63.092 65.528 -2.436 19476 861 1 15 . 1 1 7 7 PRO CB C 7 29.278 29.278 32.013 -2.735 19476 862 1 15 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.395 -0.246 19476 863 1 15 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.885 -2.003 19476 864 1 15 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.358 -3.145 19476 865 1 15 . 1 1 8 8 ALA H H 8 7.807 7.807 8.299 -0.492 19476 866 1 15 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.451 -0.056 19476 867 1 15 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.032 -1.934 19476 868 1 15 . 1 1 9 9 CYS CB C 9 38.385 38.385 27.098 11.287 19476 869 1 15 . 1 1 9 9 CYS H H 9 8.114 8.114 7.984 0.130 19476 870 1 15 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.099 -0.102 19476 871 1 15 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.542 -2.726 19476 872 1 15 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.088 -2.538 19476 873 1 15 . 1 1 10 10 ARG H H 10 8.855 8.855 7.790 1.065 19476 874 1 15 . 1 1 11 11 THR HA H 11 3.891 3.891 4.256 -0.365 19476 875 1 15 . 1 1 11 11 THR CA C 11 62.717 62.717 63.876 -1.159 19476 876 1 15 . 1 1 11 11 THR CB C 11 66.074 66.074 68.315 -2.241 19476 877 1 15 . 1 1 11 11 THR H H 11 7.934 7.934 7.806 0.128 19476 878 1 15 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.722 -0.118 19476 879 1 15 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.587 -2.562 19476 880 1 15 . 1 1 12 12 ASN CB C 12 36.578 36.578 39.770 -3.192 19476 881 1 15 . 1 1 12 12 ASN H H 12 7.538 7.538 7.870 -0.332 19476 882 1 15 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.016 0.448 19476 883 1 15 . 1 1 13 13 HIS CA C 13 51.184 51.184 54.450 -3.266 19476 884 1 15 . 1 1 13 13 HIS CB C 13 25.713 25.713 29.353 -3.640 19476 885 1 15 . 1 1 13 13 HIS H H 13 7.818 7.818 8.205 -0.387 19476 886 1 15 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.288 0.120 19476 887 1 15 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.192 -1.877 19476 888 1 15 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.092 -3.725 19476 889 1 15 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.086 0.237 19476 890 1 15 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.447 -2.942 19476 891 1 15 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.213 -4.857 19476 892 1 15 . 1 1 15 15 GLU H H 15 9.729 9.729 8.235 1.494 19476 893 1 15 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.818 0.416 19476 894 1 15 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.985 -4.569 19476 895 1 15 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.883 -1.817 19476 896 1 15 . 1 1 16 16 VAL H H 16 7.514 7.514 7.627 -0.113 19476 897 1 15 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.310 0.623 19476 898 1 15 . 1 1 17 17 CYS CA C 17 51.785 51.785 59.926 -8.141 19476 899 1 15 . 1 1 17 17 CYS CB C 17 36.608 36.608 27.616 8.992 19476 900 1 15 . 1 1 17 17 CYS H H 17 7.823 7.823 7.854 -0.031 19476 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 19476 2 1 1 "Average Difference" HA 17 0.250 0.039 0.254 19476 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19476 4 1 1 "Average Difference" CA 16 3.519 3.090 1.740 19476 5 1 1 "Average Difference" CB 15 5.812 -0.638 5.980 19476 6 1 1 "Average Difference" HN 14 0.583 -0.154 0.584 19476 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19476 8 1 2 "Average Difference" HA 17 0.237 -0.014 0.244 19476 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19476 10 1 2 "Average Difference" CA 16 3.684 3.295 1.703 19476 11 1 2 "Average Difference" CB 15 5.887 -0.570 6.065 19476 12 1 2 "Average Difference" HN 14 0.532 -0.153 0.528 19476 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19476 14 1 3 "Average Difference" HA 17 0.203 0.037 0.206 19476 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19476 16 1 3 "Average Difference" CA 16 3.532 3.124 1.702 19476 17 1 3 "Average Difference" CB 15 5.873 -0.459 6.061 19476 18 1 3 "Average Difference" HN 14 0.544 -0.141 0.545 19476 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19476 20 1 4 "Average Difference" HA 17 0.268 -0.034 0.274 19476 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19476 22 1 4 "Average Difference" CA 16 3.784 3.324 1.867 19476 23 1 4 "Average Difference" CB 15 5.776 -0.503 5.956 19476 24 1 4 "Average Difference" HN 14 0.574 -0.133 0.579 19476 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19476 26 1 5 "Average Difference" HA 17 0.240 0.009 0.247 19476 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19476 28 1 5 "Average Difference" CA 16 3.449 3.012 1.736 19476 29 1 5 "Average Difference" CB 15 5.810 -0.480 5.993 19476 30 1 5 "Average Difference" HN 14 0.617 -0.157 0.619 19476 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19476 32 1 6 "Average Difference" HA 17 0.239 0.035 0.244 19476 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19476 34 1 6 "Average Difference" CA 16 3.410 2.927 1.808 19476 35 1 6 "Average Difference" CB 15 5.823 -0.583 5.997 19476 36 1 6 "Average Difference" HN 14 0.647 -0.108 0.662 19476 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19476 38 1 7 "Average Difference" HA 17 0.277 0.048 0.281 19476 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19476 40 1 7 "Average Difference" CA 16 2.987 2.621 1.480 19476 41 1 7 "Average Difference" CB 15 5.940 -0.520 6.125 19476 42 1 7 "Average Difference" HN 14 0.599 -0.210 0.582 19476 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19476 44 1 8 "Average Difference" HA 17 0.281 0.018 0.289 19476 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19476 46 1 8 "Average Difference" CA 16 3.377 2.954 1.692 19476 47 1 8 "Average Difference" CB 15 6.024 -0.441 6.219 19476 48 1 8 "Average Difference" HN 14 0.659 -0.181 0.657 19476 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19476 50 1 9 "Average Difference" HA 17 0.249 -0.008 0.256 19476 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19476 52 1 9 "Average Difference" CA 16 3.308 3.021 1.390 19476 53 1 9 "Average Difference" CB 15 5.799 -0.544 5.976 19476 54 1 9 "Average Difference" HN 14 0.628 -0.289 0.579 19476 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19476 56 1 10 "Average Difference" HA 17 0.271 0.024 0.278 19476 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19476 58 1 10 "Average Difference" CA 16 3.449 2.959 1.829 19476 59 1 10 "Average Difference" CB 15 5.946 -0.546 6.129 19476 60 1 10 "Average Difference" HN 14 0.631 -0.150 0.636 19476 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19476 62 1 11 "Average Difference" HA 17 0.275 0.010 0.283 19476 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19476 64 1 11 "Average Difference" CA 16 3.355 2.963 1.626 19476 65 1 11 "Average Difference" CB 15 5.842 -0.635 6.012 19476 66 1 11 "Average Difference" HN 14 0.669 -0.142 0.679 19476 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19476 68 1 12 "Average Difference" HA 17 0.273 -0.000 0.282 19476 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19476 70 1 12 "Average Difference" CA 16 3.380 2.961 1.684 19476 71 1 12 "Average Difference" CB 15 5.948 -0.571 6.129 19476 72 1 12 "Average Difference" HN 14 0.707 -0.053 0.732 19476 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19476 74 1 13 "Average Difference" HA 17 0.239 0.023 0.245 19476 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19476 76 1 13 "Average Difference" CA 16 3.331 2.960 1.577 19476 77 1 13 "Average Difference" CB 15 6.021 -0.724 6.187 19476 78 1 13 "Average Difference" HN 14 0.593 -0.199 0.580 19476 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19476 80 1 14 "Average Difference" HA 17 0.215 -0.011 0.222 19476 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19476 82 1 14 "Average Difference" CA 16 3.481 3.082 1.672 19476 83 1 14 "Average Difference" CB 15 5.894 -0.468 6.081 19476 84 1 14 "Average Difference" HN 14 0.584 -0.171 0.580 19476 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19476 86 1 15 "Average Difference" HA 17 0.285 -0.016 0.293 19476 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19476 88 1 15 "Average Difference" CA 16 3.767 3.341 1.797 19476 89 1 15 "Average Difference" CB 15 5.895 -0.631 6.067 19476 90 1 15 "Average Difference" HN 14 0.587 -0.102 0.600 19476 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 19476 _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 GLY CA C 2 42.241 42.241 45.235 -2.994 19476 2 1 . 1 1 2 2 GLY H H 2 8.945 8.945 8.565 0.380 19476 3 1 . 1 1 3 3 CYS HA H 3 4.497 4.497 4.804 -0.307 19476 4 1 . 1 1 3 3 CYS CA C 3 55.630 55.630 57.496 -1.866 19476 5 1 . 1 1 3 3 CYS CB C 3 39.502 39.502 27.088 12.414 19476 6 1 . 1 1 3 3 CYS H H 3 8.910 8.910 8.101 0.809 19476 7 1 . 1 1 4 4 CYS HA H 4 4.430 4.430 4.574 -0.144 19476 8 1 . 1 1 4 4 CYS CA C 4 53.092 53.092 58.971 -5.879 19476 9 1 . 1 1 4 4 CYS CB C 4 33.220 33.220 24.737 8.483 19476 10 1 . 1 1 4 4 CYS H H 4 8.773 8.773 8.379 0.394 19476 11 1 . 1 1 5 5 SER HA H 5 4.518 4.518 4.444 0.074 19476 12 1 . 1 1 5 5 SER CA C 5 55.783 55.783 58.567 -2.784 19476 13 1 . 1 1 5 5 SER CB C 5 60.742 60.742 63.727 -2.985 19476 14 1 . 1 1 5 5 SER H H 5 7.798 7.798 8.367 -0.569 19476 15 1 . 1 1 6 6 ASN HA H 6 5.295 5.295 5.103 0.192 19476 16 1 . 1 1 6 6 ASN CA C 6 47.068 47.068 51.765 -4.697 19476 17 1 . 1 1 6 6 ASN CB C 6 37.928 37.928 39.170 -1.242 19476 18 1 . 1 1 6 6 ASN H H 6 8.073 8.073 8.336 -0.263 19476 19 1 . 1 1 7 7 PRO HA H 7 4.117 4.117 4.463 -0.346 19476 20 1 . 1 1 7 7 PRO CA C 7 63.092 63.092 64.216 -1.124 19476 21 1 . 1 1 7 7 PRO CB C 7 29.278 29.278 31.327 -2.049 19476 22 1 . 1 1 8 8 ALA HA H 8 4.149 4.149 4.388 -0.239 19476 23 1 . 1 1 8 8 ALA CA C 8 51.882 51.882 53.618 -1.736 19476 24 1 . 1 1 8 8 ALA CB C 8 15.213 15.213 18.876 -3.663 19476 25 1 . 1 1 8 8 ALA H H 8 7.807 7.807 8.136 -0.329 19476 26 1 . 1 1 9 9 CYS HA H 9 4.395 4.395 4.441 -0.046 19476 27 1 . 1 1 9 9 CYS CA C 9 58.098 58.098 60.024 -1.926 19476 28 1 . 1 1 9 9 CYS CB C 9 38.385 38.385 26.980 11.405 19476 29 1 . 1 1 9 9 CYS H H 9 8.114 8.114 8.087 0.027 19476 30 1 . 1 1 10 10 ARG HA H 10 3.997 3.997 4.052 -0.055 19476 31 1 . 1 1 10 10 ARG CA C 10 56.816 56.816 59.674 -2.858 19476 32 1 . 1 1 10 10 ARG CB C 10 27.550 27.550 30.161 -2.611 19476 33 1 . 1 1 10 10 ARG H H 10 8.855 8.855 7.703 1.152 19476 34 1 . 1 1 11 11 THR HA H 11 3.891 3.891 4.167 -0.276 19476 35 1 . 1 1 11 11 THR CA C 11 62.717 62.717 64.628 -1.911 19476 36 1 . 1 1 11 11 THR CB C 11 66.074 66.074 68.205 -2.131 19476 37 1 . 1 1 11 11 THR H H 11 7.934 7.934 8.040 -0.106 19476 38 1 . 1 1 12 12 ASN HA H 12 4.604 4.604 4.730 -0.126 19476 39 1 . 1 1 12 12 ASN CA C 12 51.025 51.025 53.622 -2.597 19476 40 1 . 1 1 12 12 ASN CB C 12 36.578 36.578 40.017 -3.439 19476 41 1 . 1 1 12 12 ASN H H 12 7.538 7.538 7.758 -0.220 19476 42 1 . 1 1 13 13 HIS HA H 13 5.464 5.464 5.011 0.453 19476 43 1 . 1 1 13 13 HIS CA C 13 51.184 51.184 53.888 -2.704 19476 44 1 . 1 1 13 13 HIS CB C 13 25.713 25.713 28.999 -3.286 19476 45 1 . 1 1 13 13 HIS H H 13 7.818 7.818 8.090 -0.272 19476 46 1 . 1 1 14 14 PRO HA H 14 4.408 4.408 4.363 0.045 19476 47 1 . 1 1 14 14 PRO CA C 14 62.315 62.315 64.213 -1.898 19476 48 1 . 1 1 14 14 PRO CB C 14 28.367 28.367 32.211 -3.844 19476 49 1 . 1 1 15 15 GLU HA H 15 4.323 4.323 4.134 0.189 19476 50 1 . 1 1 15 15 GLU CA C 15 55.504 55.504 58.272 -2.768 19476 51 1 . 1 1 15 15 GLU CB C 15 24.356 24.356 29.010 -4.654 19476 52 1 . 1 1 15 15 GLU H H 15 9.729 9.729 8.407 1.322 19476 53 1 . 1 1 16 16 VAL HA H 16 4.234 4.234 3.896 0.338 19476 54 1 . 1 1 16 16 VAL CA C 16 60.416 60.416 64.309 -3.893 19476 55 1 . 1 1 16 16 VAL CB C 16 30.066 30.066 31.797 -1.731 19476 56 1 . 1 1 16 16 VAL H H 16 7.514 7.514 7.689 -0.175 19476 57 1 . 1 1 17 17 CYS HA H 17 4.933 4.933 4.595 0.338 19476 58 1 . 1 1 17 17 CYS CA C 17 51.785 51.785 58.825 -7.040 19476 59 1 . 1 1 17 17 CYS CB C 17 36.608 36.608 28.963 7.645 19476 60 1 . 1 1 17 17 CYS H H 17 7.823 7.823 7.785 0.038 19476 stop_ save_