data_19192 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19192 _Entry.PDB_ID 2M7J 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 19192 _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 TRP HA H 2 4.695 4.695 4.330 0.365 19192 2 1 1 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.071 -0.821 19192 3 1 1 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.402 0.817 19192 4 1 1 . 1 1 2 2 TRP H H 2 8.187 8.187 8.512 -0.325 19192 5 1 1 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.361 0.932 19192 6 1 1 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.138 1.162 19192 7 1 1 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.609 -0.139 19192 8 1 1 . 1 1 3 3 LEU H H 3 8.058 8.058 7.395 0.663 19192 9 1 1 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.097 0.178 19192 10 1 1 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.955 0.045 19192 11 1 1 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.605 1.145 19192 12 1 1 . 1 1 4 4 LYS H H 4 8.175 8.175 7.902 0.273 19192 13 1 1 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.300 -0.015 19192 14 1 1 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.637 -0.437 19192 15 1 1 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.892 -0.853 19192 16 1 1 . 1 1 5 5 LYS H H 5 8.173 8.173 8.507 -0.334 19192 17 1 1 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.414 -0.303 19192 18 1 1 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.035 0.814 19192 19 1 1 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.488 0.512 19192 20 1 1 . 1 1 6 6 ARG H H 6 8.140 8.140 8.436 -0.296 19192 21 1 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.933 0.233 19192 22 1 1 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.475 -0.805 19192 23 1 1 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.397 0.603 19192 24 1 1 . 1 1 7 7 ARG H H 7 8.191 8.191 8.591 -0.400 19192 25 1 1 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.971 -0.132 19192 26 1 1 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.531 0.659 19192 27 1 1 . 1 1 8 8 TRP H H 8 7.917 7.917 7.998 -0.081 19192 28 1 1 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.672 -0.212 19192 29 1 1 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.445 1.325 19192 30 1 1 . 1 1 9 9 LYS CB C 9 33.800 33.800 35.165 -1.365 19192 31 1 1 . 1 1 9 9 LYS H H 9 8.291 8.291 8.193 0.098 19192 32 1 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.459 -0.174 19192 33 1 1 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.054 -0.854 19192 34 1 1 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.779 1.231 19192 35 1 1 . 1 1 10 10 LYS H H 10 8.059 8.059 8.303 -0.244 19192 36 1 1 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.323 -0.208 19192 37 1 1 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.844 -1.324 19192 38 1 1 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.689 1.061 19192 39 1 1 . 1 1 11 11 ALA H H 11 8.169 8.169 8.400 -0.231 19192 40 1 2 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.537 0.158 19192 41 1 2 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.922 -1.672 19192 42 1 2 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.233 -0.013 19192 43 1 2 . 1 1 2 2 TRP H H 2 8.187 8.187 8.371 -0.184 19192 44 1 2 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.857 0.436 19192 45 1 2 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.513 0.787 19192 46 1 2 . 1 1 3 3 LEU CB C 3 42.470 42.470 40.531 1.940 19192 47 1 2 . 1 1 3 3 LEU H H 3 8.058 8.058 7.749 0.309 19192 48 1 2 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.874 -0.599 19192 49 1 2 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.381 1.619 19192 50 1 2 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.214 -1.464 19192 51 1 2 . 1 1 4 4 LYS H H 4 8.175 8.175 7.991 0.184 19192 52 1 2 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.674 -0.389 19192 53 1 2 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.123 -0.923 19192 54 1 2 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.391 -1.351 19192 55 1 2 . 1 1 5 5 LYS H H 5 8.173 8.173 9.197 -1.024 19192 56 1 2 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.702 -0.591 19192 57 1 2 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.801 1.049 19192 58 1 2 . 1 1 6 6 ARG CB C 6 30.000 30.000 32.244 -2.244 19192 59 1 2 . 1 1 6 6 ARG H H 6 8.140 8.140 8.395 -0.255 19192 60 1 2 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.187 -0.021 19192 61 1 2 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.550 0.120 19192 62 1 2 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.583 0.417 19192 63 1 2 . 1 1 7 7 ARG H H 7 8.191 8.191 8.480 -0.289 19192 64 1 2 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.516 -0.676 19192 65 1 2 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.478 0.712 19192 66 1 2 . 1 1 8 8 TRP H H 8 7.917 7.917 7.705 0.212 19192 67 1 2 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.236 0.224 19192 68 1 2 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.638 -0.868 19192 69 1 2 . 1 1 9 9 LYS CB C 9 33.800 33.800 31.766 2.034 19192 70 1 2 . 1 1 9 9 LYS H H 9 8.291 8.291 8.738 -0.447 19192 71 1 2 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.218 0.067 19192 72 1 2 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.860 0.340 19192 73 1 2 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.271 0.739 19192 74 1 2 . 1 1 10 10 LYS H H 10 8.059 8.059 8.064 -0.005 19192 75 1 2 . 1 1 11 11 ALA HA H 11 4.115 4.115 2.879 1.236 19192 76 1 2 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.852 0.668 19192 77 1 2 . 1 1 11 11 ALA CB C 11 19.750 19.750 16.586 3.164 19192 78 1 2 . 1 1 11 11 ALA H H 11 8.169 8.169 7.511 0.658 19192 79 1 3 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.543 0.152 19192 80 1 3 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.889 -0.639 19192 81 1 3 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.470 0.750 19192 82 1 3 . 1 1 2 2 TRP H H 2 8.187 8.187 8.772 -0.585 19192 83 1 3 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.157 0.136 19192 84 1 3 . 1 1 3 3 LEU CA C 3 56.300 56.300 53.742 2.558 19192 85 1 3 . 1 1 3 3 LEU CB C 3 42.470 42.470 44.979 -2.509 19192 86 1 3 . 1 1 3 3 LEU H H 3 8.058 8.058 7.045 1.013 19192 87 1 3 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.683 -0.408 19192 88 1 3 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.139 1.861 19192 89 1 3 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.344 -1.594 19192 90 1 3 . 1 1 4 4 LYS H H 4 8.175 8.175 8.035 0.140 19192 91 1 3 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.446 -0.161 19192 92 1 3 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.978 -0.778 19192 93 1 3 . 1 1 5 5 LYS CB C 5 33.040 33.040 35.531 -2.491 19192 94 1 3 . 1 1 5 5 LYS H H 5 8.173 8.173 8.356 -0.183 19192 95 1 3 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.588 -0.476 19192 96 1 3 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.345 0.505 19192 97 1 3 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.492 -1.492 19192 98 1 3 . 1 1 6 6 ARG H H 6 8.140 8.140 8.309 -0.169 19192 99 1 3 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.112 0.054 19192 100 1 3 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.291 0.379 19192 101 1 3 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.962 0.038 19192 102 1 3 . 1 1 7 7 ARG H H 7 8.191 8.191 8.127 0.064 19192 103 1 3 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.639 0.201 19192 104 1 3 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.663 0.527 19192 105 1 3 . 1 1 8 8 TRP H H 8 7.917 7.917 7.875 0.042 19192 106 1 3 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.245 0.215 19192 107 1 3 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.117 0.653 19192 108 1 3 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.313 0.487 19192 109 1 3 . 1 1 9 9 LYS H H 9 8.291 8.291 8.465 -0.174 19192 110 1 3 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.263 0.022 19192 111 1 3 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.911 -1.711 19192 112 1 3 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.686 1.324 19192 113 1 3 . 1 1 10 10 LYS H H 10 8.059 8.059 8.023 0.036 19192 114 1 3 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.183 -0.068 19192 115 1 3 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.754 0.766 19192 116 1 3 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.229 0.521 19192 117 1 3 . 1 1 11 11 ALA H H 11 8.169 8.169 7.642 0.527 19192 118 1 4 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.710 -0.015 19192 119 1 4 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.141 -0.891 19192 120 1 4 . 1 1 2 2 TRP CB C 2 30.220 30.220 27.925 2.295 19192 121 1 4 . 1 1 2 2 TRP H H 2 8.187 8.187 8.082 0.105 19192 122 1 4 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.191 1.102 19192 123 1 4 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.034 1.266 19192 124 1 4 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.980 0.490 19192 125 1 4 . 1 1 3 3 LEU H H 3 8.058 8.058 6.327 1.731 19192 126 1 4 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.945 -0.670 19192 127 1 4 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.230 1.770 19192 128 1 4 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.926 -1.176 19192 129 1 4 . 1 1 4 4 LYS H H 4 8.175 8.175 7.929 0.246 19192 130 1 4 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.137 0.148 19192 131 1 4 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.464 -1.264 19192 132 1 4 . 1 1 5 5 LYS CB C 5 33.040 33.040 31.019 2.021 19192 133 1 4 . 1 1 5 5 LYS H H 5 8.173 8.173 8.660 -0.487 19192 134 1 4 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.377 -0.266 19192 135 1 4 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.504 1.346 19192 136 1 4 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.087 -1.087 19192 137 1 4 . 1 1 6 6 ARG H H 6 8.140 8.140 7.865 0.275 19192 138 1 4 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.074 0.092 19192 139 1 4 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.552 -0.882 19192 140 1 4 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.845 0.155 19192 141 1 4 . 1 1 7 7 ARG H H 7 8.191 8.191 8.296 -0.105 19192 142 1 4 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.094 -0.254 19192 143 1 4 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.282 0.908 19192 144 1 4 . 1 1 8 8 TRP H H 8 7.917 7.917 7.646 0.271 19192 145 1 4 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.585 -0.125 19192 146 1 4 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.028 -0.258 19192 147 1 4 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.279 0.520 19192 148 1 4 . 1 1 9 9 LYS H H 9 8.291 8.291 8.800 -0.509 19192 149 1 4 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.509 -0.224 19192 150 1 4 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.919 -0.719 19192 151 1 4 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.231 0.779 19192 152 1 4 . 1 1 10 10 LYS H H 10 8.059 8.059 8.807 -0.748 19192 153 1 4 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.303 -0.188 19192 154 1 4 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.952 0.568 19192 155 1 4 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.494 0.256 19192 156 1 4 . 1 1 11 11 ALA H H 11 8.169 8.169 7.829 0.340 19192 157 1 5 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.909 -0.214 19192 158 1 5 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.745 1.506 19192 159 1 5 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.813 1.407 19192 160 1 5 . 1 1 2 2 TRP H H 2 8.187 8.187 7.594 0.593 19192 161 1 5 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.396 -0.103 19192 162 1 5 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.170 1.130 19192 163 1 5 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.636 -0.166 19192 164 1 5 . 1 1 3 3 LEU H H 3 8.058 8.058 8.033 0.025 19192 165 1 5 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.346 -0.071 19192 166 1 5 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.222 -0.223 19192 167 1 5 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.628 1.122 19192 168 1 5 . 1 1 4 4 LYS H H 4 8.175 8.175 8.186 -0.011 19192 169 1 5 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.304 -0.019 19192 170 1 5 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.979 -1.779 19192 171 1 5 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.390 -0.350 19192 172 1 5 . 1 1 5 5 LYS H H 5 8.173 8.173 8.563 -0.390 19192 173 1 5 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.427 -0.316 19192 174 1 5 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.203 0.647 19192 175 1 5 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.514 0.486 19192 176 1 5 . 1 1 6 6 ARG H H 6 8.140 8.140 8.424 -0.284 19192 177 1 5 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.006 0.160 19192 178 1 5 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.468 -0.798 19192 179 1 5 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.562 0.438 19192 180 1 5 . 1 1 7 7 ARG H H 7 8.191 8.191 8.616 -0.425 19192 181 1 5 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.139 -0.299 19192 182 1 5 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.817 0.374 19192 183 1 5 . 1 1 8 8 TRP H H 8 7.917 7.917 7.770 0.147 19192 184 1 5 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.336 0.124 19192 185 1 5 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.639 0.131 19192 186 1 5 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.028 0.772 19192 187 1 5 . 1 1 9 9 LYS H H 9 8.291 8.291 8.688 -0.397 19192 188 1 5 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.524 -0.239 19192 189 1 5 . 1 1 10 10 LYS CA C 10 56.200 56.200 54.838 1.362 19192 190 1 5 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.191 1.819 19192 191 1 5 . 1 1 10 10 LYS H H 10 8.059 8.059 8.400 -0.341 19192 192 1 5 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.991 0.124 19192 193 1 5 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.794 -1.274 19192 194 1 5 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.814 0.937 19192 195 1 5 . 1 1 11 11 ALA H H 11 8.169 8.169 8.043 0.126 19192 196 1 6 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.927 -0.232 19192 197 1 6 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.335 1.915 19192 198 1 6 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.465 0.755 19192 199 1 6 . 1 1 2 2 TRP H H 2 8.187 8.187 7.503 0.684 19192 200 1 6 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.662 -0.369 19192 201 1 6 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.127 2.173 19192 202 1 6 . 1 1 3 3 LEU CB C 3 42.470 42.470 43.654 -1.185 19192 203 1 6 . 1 1 3 3 LEU H H 3 8.058 8.058 8.435 -0.377 19192 204 1 6 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.822 -0.547 19192 205 1 6 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.234 0.766 19192 206 1 6 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.207 -1.457 19192 207 1 6 . 1 1 4 4 LYS H H 4 8.175 8.175 8.290 -0.115 19192 208 1 6 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.607 -0.322 19192 209 1 6 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.073 -0.873 19192 210 1 6 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.399 -1.359 19192 211 1 6 . 1 1 5 5 LYS H H 5 8.173 8.173 8.869 -0.696 19192 212 1 6 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.538 -0.427 19192 213 1 6 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.549 0.301 19192 214 1 6 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.029 -1.029 19192 215 1 6 . 1 1 6 6 ARG H H 6 8.140 8.140 8.156 -0.016 19192 216 1 6 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.153 0.013 19192 217 1 6 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.269 0.401 19192 218 1 6 . 1 1 7 7 ARG CB C 7 30.000 30.000 30.065 -0.065 19192 219 1 6 . 1 1 7 7 ARG H H 7 8.191 8.191 8.246 -0.055 19192 220 1 6 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.744 0.096 19192 221 1 6 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.852 0.338 19192 222 1 6 . 1 1 8 8 TRP H H 8 7.917 7.917 7.992 -0.075 19192 223 1 6 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.808 -0.348 19192 224 1 6 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.529 0.241 19192 225 1 6 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.344 0.456 19192 226 1 6 . 1 1 9 9 LYS H H 9 8.291 8.291 8.522 -0.231 19192 227 1 6 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.614 -0.329 19192 228 1 6 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.137 1.063 19192 229 1 6 . 1 1 10 10 LYS CB C 10 34.010 34.010 34.842 -0.832 19192 230 1 6 . 1 1 10 10 LYS H H 10 8.059 8.059 8.006 0.053 19192 231 1 6 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.213 -0.098 19192 232 1 6 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.436 1.084 19192 233 1 6 . 1 1 11 11 ALA CB C 11 19.750 19.750 20.038 -0.288 19192 234 1 6 . 1 1 11 11 ALA H H 11 8.169 8.169 8.041 0.128 19192 235 1 7 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.622 0.073 19192 236 1 7 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.772 -0.522 19192 237 1 7 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.275 -0.055 19192 238 1 7 . 1 1 2 2 TRP H H 2 8.187 8.187 8.335 -0.148 19192 239 1 7 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.004 0.289 19192 240 1 7 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.252 1.048 19192 241 1 7 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.084 0.386 19192 242 1 7 . 1 1 3 3 LEU H H 3 8.058 8.058 7.753 0.305 19192 243 1 7 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.631 -0.356 19192 244 1 7 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.442 1.558 19192 245 1 7 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.332 0.418 19192 246 1 7 . 1 1 4 4 LYS H H 4 8.175 8.175 8.476 -0.301 19192 247 1 7 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.352 -0.067 19192 248 1 7 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.976 -1.776 19192 249 1 7 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.483 -0.443 19192 250 1 7 . 1 1 5 5 LYS H H 5 8.173 8.173 8.425 -0.252 19192 251 1 7 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.394 -0.283 19192 252 1 7 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.268 0.582 19192 253 1 7 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.977 0.023 19192 254 1 7 . 1 1 6 6 ARG H H 6 8.140 8.140 8.619 -0.479 19192 255 1 7 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.946 0.220 19192 256 1 7 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.556 -0.886 19192 257 1 7 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.505 0.495 19192 258 1 7 . 1 1 7 7 ARG H H 7 8.191 8.191 8.580 -0.389 19192 259 1 7 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.145 -0.305 19192 260 1 7 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.989 0.201 19192 261 1 7 . 1 1 8 8 TRP H H 8 7.917 7.917 7.585 0.332 19192 262 1 7 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.659 -0.199 19192 263 1 7 . 1 1 9 9 LYS CA C 9 56.770 56.770 54.901 1.869 19192 264 1 7 . 1 1 9 9 LYS CB C 9 33.800 33.800 35.730 -1.929 19192 265 1 7 . 1 1 9 9 LYS H H 9 8.291 8.291 8.839 -0.548 19192 266 1 7 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.015 0.270 19192 267 1 7 . 1 1 10 10 LYS CA C 10 56.200 56.200 60.041 -3.841 19192 268 1 7 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.801 1.208 19192 269 1 7 . 1 1 10 10 LYS H H 10 8.059 8.059 8.542 -0.483 19192 270 1 7 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.483 -0.368 19192 271 1 7 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.204 0.316 19192 272 1 7 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.561 0.189 19192 273 1 7 . 1 1 11 11 ALA H H 11 8.169 8.169 7.963 0.206 19192 274 1 8 . 1 1 2 2 TRP HA H 2 4.695 4.695 5.068 -0.373 19192 275 1 8 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.535 1.715 19192 276 1 8 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.804 0.416 19192 277 1 8 . 1 1 2 2 TRP H H 2 8.187 8.187 7.851 0.336 19192 278 1 8 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.339 -0.046 19192 279 1 8 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.084 1.216 19192 280 1 8 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.809 -0.339 19192 281 1 8 . 1 1 3 3 LEU H H 3 8.058 8.058 8.219 -0.161 19192 282 1 8 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.355 -0.080 19192 283 1 8 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.370 -0.370 19192 284 1 8 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.969 -0.219 19192 285 1 8 . 1 1 4 4 LYS H H 4 8.175 8.175 8.005 0.170 19192 286 1 8 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.517 -0.232 19192 287 1 8 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.308 -1.108 19192 288 1 8 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.283 -1.243 19192 289 1 8 . 1 1 5 5 LYS H H 5 8.173 8.173 8.503 -0.330 19192 290 1 8 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.611 -0.500 19192 291 1 8 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.666 0.184 19192 292 1 8 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.735 -0.735 19192 293 1 8 . 1 1 6 6 ARG H H 6 8.140 8.140 8.241 -0.101 19192 294 1 8 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.125 0.041 19192 295 1 8 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.145 0.525 19192 296 1 8 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.936 0.064 19192 297 1 8 . 1 1 7 7 ARG H H 7 8.191 8.191 8.271 -0.080 19192 298 1 8 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.514 0.326 19192 299 1 8 . 1 1 8 8 TRP CB C 8 30.190 30.190 28.513 1.677 19192 300 1 8 . 1 1 8 8 TRP H H 8 7.917 7.917 8.245 -0.328 19192 301 1 8 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.499 -0.039 19192 302 1 8 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.016 0.754 19192 303 1 8 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.846 0.954 19192 304 1 8 . 1 1 9 9 LYS H H 9 8.291 8.291 7.596 0.695 19192 305 1 8 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.249 0.036 19192 306 1 8 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.885 0.315 19192 307 1 8 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.943 1.067 19192 308 1 8 . 1 1 10 10 LYS H H 10 8.059 8.059 7.912 0.147 19192 309 1 8 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.902 0.213 19192 310 1 8 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.716 -0.196 19192 311 1 8 . 1 1 11 11 ALA CB C 11 19.750 19.750 17.975 1.775 19192 312 1 8 . 1 1 11 11 ALA H H 11 8.169 8.169 7.899 0.270 19192 313 1 9 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.610 0.085 19192 314 1 9 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.851 -0.601 19192 315 1 9 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.791 0.429 19192 316 1 9 . 1 1 2 2 TRP H H 2 8.187 8.187 8.610 -0.423 19192 317 1 9 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.715 -0.422 19192 318 1 9 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.650 1.650 19192 319 1 9 . 1 1 3 3 LEU CB C 3 42.470 42.470 44.298 -1.829 19192 320 1 9 . 1 1 3 3 LEU H H 3 8.058 8.058 8.464 -0.406 19192 321 1 9 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.905 -0.630 19192 322 1 9 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.589 1.411 19192 323 1 9 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.583 -1.833 19192 324 1 9 . 1 1 4 4 LYS H H 4 8.175 8.175 8.461 -0.286 19192 325 1 9 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.413 -0.128 19192 326 1 9 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.029 -0.829 19192 327 1 9 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.971 -1.931 19192 328 1 9 . 1 1 5 5 LYS H H 5 8.173 8.173 8.940 -0.767 19192 329 1 9 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.447 -0.337 19192 330 1 9 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.273 0.577 19192 331 1 9 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.573 0.427 19192 332 1 9 . 1 1 6 6 ARG H H 6 8.140 8.140 8.361 -0.221 19192 333 1 9 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.021 0.145 19192 334 1 9 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.394 -0.724 19192 335 1 9 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.437 0.563 19192 336 1 9 . 1 1 7 7 ARG H H 7 8.191 8.191 8.568 -0.377 19192 337 1 9 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.438 -0.598 19192 338 1 9 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.641 0.549 19192 339 1 9 . 1 1 8 8 TRP H H 8 7.917 7.917 7.652 0.265 19192 340 1 9 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.557 -0.097 19192 341 1 9 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.992 0.777 19192 342 1 9 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.773 1.027 19192 343 1 9 . 1 1 9 9 LYS H H 9 8.291 8.291 8.518 -0.227 19192 344 1 9 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.372 -0.087 19192 345 1 9 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.714 -0.514 19192 346 1 9 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.833 0.177 19192 347 1 9 . 1 1 10 10 LYS H H 10 8.059 8.059 8.037 0.022 19192 348 1 9 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.769 0.346 19192 349 1 9 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.197 0.323 19192 350 1 9 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.821 0.929 19192 351 1 9 . 1 1 11 11 ALA H H 11 8.169 8.169 8.444 -0.275 19192 352 1 10 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.893 -0.198 19192 353 1 10 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.194 2.056 19192 354 1 10 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.317 0.903 19192 355 1 10 . 1 1 2 2 TRP H H 2 8.187 8.187 7.762 0.425 19192 356 1 10 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.376 -0.083 19192 357 1 10 . 1 1 3 3 LEU CA C 3 56.300 56.300 53.877 2.423 19192 358 1 10 . 1 1 3 3 LEU CB C 3 42.470 42.470 40.835 1.635 19192 359 1 10 . 1 1 3 3 LEU H H 3 8.058 8.058 8.537 -0.479 19192 360 1 10 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.601 -0.326 19192 361 1 10 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.695 0.305 19192 362 1 10 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.391 -0.641 19192 363 1 10 . 1 1 4 4 LYS H H 4 8.175 8.175 7.803 0.372 19192 364 1 10 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.508 -0.223 19192 365 1 10 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.565 -0.365 19192 366 1 10 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.360 -1.320 19192 367 1 10 . 1 1 5 5 LYS H H 5 8.173 8.173 8.641 -0.468 19192 368 1 10 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.433 -0.322 19192 369 1 10 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.336 0.514 19192 370 1 10 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.235 0.765 19192 371 1 10 . 1 1 6 6 ARG H H 6 8.140 8.140 8.716 -0.576 19192 372 1 10 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.964 0.202 19192 373 1 10 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.510 -0.840 19192 374 1 10 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.392 0.608 19192 375 1 10 . 1 1 7 7 ARG H H 7 8.191 8.191 8.645 -0.454 19192 376 1 10 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.688 0.152 19192 377 1 10 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.662 0.528 19192 378 1 10 . 1 1 8 8 TRP H H 8 7.917 7.917 7.913 0.004 19192 379 1 10 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.393 0.067 19192 380 1 10 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.799 -0.029 19192 381 1 10 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.261 0.539 19192 382 1 10 . 1 1 9 9 LYS H H 9 8.291 8.291 8.290 0.001 19192 383 1 10 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.229 0.056 19192 384 1 10 . 1 1 10 10 LYS CA C 10 56.200 56.200 58.663 -2.463 19192 385 1 10 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.572 1.438 19192 386 1 10 . 1 1 10 10 LYS H H 10 8.059 8.059 8.625 -0.566 19192 387 1 10 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.003 0.112 19192 388 1 10 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.422 -0.902 19192 389 1 10 . 1 1 11 11 ALA CB C 11 19.750 19.750 16.767 2.983 19192 390 1 10 . 1 1 11 11 ALA H H 11 8.169 8.169 8.296 -0.127 19192 391 1 11 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.651 0.044 19192 392 1 11 . 1 1 2 2 TRP CA C 2 57.250 57.250 56.117 1.133 19192 393 1 11 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.023 0.197 19192 394 1 11 . 1 1 2 2 TRP H H 2 8.187 8.187 8.307 -0.120 19192 395 1 11 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.433 -0.140 19192 396 1 11 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.359 1.941 19192 397 1 11 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.968 -0.498 19192 398 1 11 . 1 1 3 3 LEU H H 3 8.058 8.058 8.236 -0.178 19192 399 1 11 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.135 0.140 19192 400 1 11 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.056 -0.056 19192 401 1 11 . 1 1 4 4 LYS CB C 4 32.750 32.750 29.910 2.840 19192 402 1 11 . 1 1 4 4 LYS H H 4 8.175 8.175 7.868 0.307 19192 403 1 11 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.137 0.148 19192 404 1 11 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.450 -0.250 19192 405 1 11 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.449 -0.409 19192 406 1 11 . 1 1 5 5 LYS H H 5 8.173 8.173 8.184 -0.011 19192 407 1 11 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.244 -0.133 19192 408 1 11 . 1 1 6 6 ARG CA C 6 56.850 56.850 57.411 -0.561 19192 409 1 11 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.204 -0.204 19192 410 1 11 . 1 1 6 6 ARG H H 6 8.140 8.140 8.434 -0.294 19192 411 1 11 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.913 0.253 19192 412 1 11 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.382 -0.712 19192 413 1 11 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.053 0.947 19192 414 1 11 . 1 1 7 7 ARG H H 7 8.191 8.191 8.808 -0.617 19192 415 1 11 . 1 1 8 8 TRP CA C 8 56.840 56.840 55.377 1.463 19192 416 1 11 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.113 1.077 19192 417 1 11 . 1 1 8 8 TRP H H 8 7.917 7.917 7.848 0.069 19192 418 1 11 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.393 0.067 19192 419 1 11 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.726 1.044 19192 420 1 11 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.561 0.239 19192 421 1 11 . 1 1 9 9 LYS H H 9 8.291 8.291 8.585 -0.294 19192 422 1 11 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.109 0.176 19192 423 1 11 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.578 -1.379 19192 424 1 11 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.645 1.365 19192 425 1 11 . 1 1 10 10 LYS H H 10 8.059 8.059 8.454 -0.395 19192 426 1 11 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.266 -0.151 19192 427 1 11 . 1 1 11 11 ALA CA C 11 52.520 52.520 54.501 -1.981 19192 428 1 11 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.164 0.586 19192 429 1 11 . 1 1 11 11 ALA H H 11 8.169 8.169 8.609 -0.440 19192 430 1 12 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.437 0.258 19192 431 1 12 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.175 0.075 19192 432 1 12 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.756 0.464 19192 433 1 12 . 1 1 2 2 TRP H H 2 8.187 8.187 8.505 -0.318 19192 434 1 12 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.649 -0.356 19192 435 1 12 . 1 1 3 3 LEU CA C 3 56.300 56.300 53.191 3.109 19192 436 1 12 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.805 0.665 19192 437 1 12 . 1 1 3 3 LEU H H 3 8.058 8.058 7.887 0.171 19192 438 1 12 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.352 -0.077 19192 439 1 12 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.433 -0.433 19192 440 1 12 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.938 -0.188 19192 441 1 12 . 1 1 4 4 LYS H H 4 8.175 8.175 8.350 -0.175 19192 442 1 12 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.442 -0.157 19192 443 1 12 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.446 -1.246 19192 444 1 12 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.835 -0.795 19192 445 1 12 . 1 1 5 5 LYS H H 5 8.173 8.173 8.637 -0.464 19192 446 1 12 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.459 -0.348 19192 447 1 12 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.715 0.135 19192 448 1 12 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.128 -0.128 19192 449 1 12 . 1 1 6 6 ARG H H 6 8.140 8.140 8.569 -0.429 19192 450 1 12 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.176 -0.010 19192 451 1 12 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.186 0.484 19192 452 1 12 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.906 0.094 19192 453 1 12 . 1 1 7 7 ARG H H 7 8.191 8.191 8.381 -0.190 19192 454 1 12 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.071 -0.231 19192 455 1 12 . 1 1 8 8 TRP CB C 8 30.190 30.190 30.342 -0.152 19192 456 1 12 . 1 1 8 8 TRP H H 8 7.917 7.917 8.187 -0.270 19192 457 1 12 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.390 0.070 19192 458 1 12 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.659 1.111 19192 459 1 12 . 1 1 9 9 LYS CB C 9 33.800 33.800 35.211 -1.411 19192 460 1 12 . 1 1 9 9 LYS H H 9 8.291 8.291 8.484 -0.193 19192 461 1 12 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.001 0.284 19192 462 1 12 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.895 -0.695 19192 463 1 12 . 1 1 10 10 LYS CB C 10 34.010 34.010 31.773 2.237 19192 464 1 12 . 1 1 10 10 LYS H H 10 8.059 8.059 8.306 -0.247 19192 465 1 12 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.406 -0.291 19192 466 1 12 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.691 -0.171 19192 467 1 12 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.901 -0.151 19192 468 1 12 . 1 1 11 11 ALA H H 11 8.169 8.169 8.143 0.026 19192 469 1 13 . 1 1 2 2 TRP HA H 2 4.695 4.695 5.079 -0.384 19192 470 1 13 . 1 1 2 2 TRP CA C 2 57.250 57.250 58.118 -0.868 19192 471 1 13 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.190 1.030 19192 472 1 13 . 1 1 2 2 TRP H H 2 8.187 8.187 7.966 0.221 19192 473 1 13 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.719 0.574 19192 474 1 13 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.876 0.424 19192 475 1 13 . 1 1 3 3 LEU CB C 3 42.470 42.470 40.132 2.338 19192 476 1 13 . 1 1 3 3 LEU H H 3 8.058 8.058 7.107 0.951 19192 477 1 13 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.410 -0.135 19192 478 1 13 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.536 0.464 19192 479 1 13 . 1 1 4 4 LYS CB C 4 32.750 32.750 30.804 1.946 19192 480 1 13 . 1 1 4 4 LYS H H 4 8.175 8.175 8.648 -0.473 19192 481 1 13 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.558 -0.273 19192 482 1 13 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.187 0.013 19192 483 1 13 . 1 1 5 5 LYS CB C 5 33.040 33.040 32.598 0.442 19192 484 1 13 . 1 1 5 5 LYS H H 5 8.173 8.173 8.348 -0.175 19192 485 1 13 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.405 -0.294 19192 486 1 13 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.878 0.972 19192 487 1 13 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.094 -1.094 19192 488 1 13 . 1 1 6 6 ARG H H 6 8.140 8.140 7.886 0.254 19192 489 1 13 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.944 0.222 19192 490 1 13 . 1 1 7 7 ARG CA C 7 56.670 56.670 58.663 -1.994 19192 491 1 13 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.657 0.343 19192 492 1 13 . 1 1 7 7 ARG H H 7 8.191 8.191 8.610 -0.419 19192 493 1 13 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.739 -0.899 19192 494 1 13 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.448 0.742 19192 495 1 13 . 1 1 8 8 TRP H H 8 7.917 7.917 7.656 0.261 19192 496 1 13 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.253 0.207 19192 497 1 13 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.781 -1.011 19192 498 1 13 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.066 1.734 19192 499 1 13 . 1 1 9 9 LYS H H 9 8.291 8.291 8.322 -0.031 19192 500 1 13 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.348 -0.063 19192 501 1 13 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.953 -0.753 19192 502 1 13 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.502 0.508 19192 503 1 13 . 1 1 10 10 LYS H H 10 8.059 8.059 8.346 -0.287 19192 504 1 13 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.363 -0.248 19192 505 1 13 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.991 0.529 19192 506 1 13 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.973 -0.223 19192 507 1 13 . 1 1 11 11 ALA H H 11 8.169 8.169 7.859 0.310 19192 508 1 14 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.994 -0.299 19192 509 1 14 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.235 0.015 19192 510 1 14 . 1 1 2 2 TRP CB C 2 30.220 30.220 30.660 -0.440 19192 511 1 14 . 1 1 2 2 TRP H H 2 8.187 8.187 8.456 -0.269 19192 512 1 14 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.513 -0.220 19192 513 1 14 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.287 2.013 19192 514 1 14 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.668 -0.198 19192 515 1 14 . 1 1 3 3 LEU H H 3 8.058 8.058 7.966 0.092 19192 516 1 14 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.577 -0.302 19192 517 1 14 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.316 -0.316 19192 518 1 14 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.149 -0.399 19192 519 1 14 . 1 1 4 4 LYS H H 4 8.175 8.175 8.302 -0.127 19192 520 1 14 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.074 0.211 19192 521 1 14 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.501 -1.301 19192 522 1 14 . 1 1 5 5 LYS CB C 5 33.040 33.040 30.663 2.377 19192 523 1 14 . 1 1 5 5 LYS H H 5 8.173 8.173 8.431 -0.258 19192 524 1 14 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.358 -0.247 19192 525 1 14 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.477 1.373 19192 526 1 14 . 1 1 6 6 ARG CB C 6 30.000 30.000 31.000 -1.000 19192 527 1 14 . 1 1 6 6 ARG H H 6 8.140 8.140 8.054 0.086 19192 528 1 14 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.127 0.039 19192 529 1 14 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.249 -0.579 19192 530 1 14 . 1 1 7 7 ARG CB C 7 30.000 30.000 30.076 -0.076 19192 531 1 14 . 1 1 7 7 ARG H H 7 8.191 8.191 8.311 -0.120 19192 532 1 14 . 1 1 8 8 TRP CA C 8 56.840 56.840 57.414 -0.574 19192 533 1 14 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.300 0.890 19192 534 1 14 . 1 1 8 8 TRP H H 8 7.917 7.917 7.959 -0.042 19192 535 1 14 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.443 0.017 19192 536 1 14 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.466 0.304 19192 537 1 14 . 1 1 9 9 LYS CB C 9 33.800 33.800 34.338 -0.538 19192 538 1 14 . 1 1 9 9 LYS H H 9 8.291 8.291 8.646 -0.355 19192 539 1 14 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.062 0.223 19192 540 1 14 . 1 1 10 10 LYS CA C 10 56.200 56.200 53.955 2.245 19192 541 1 14 . 1 1 10 10 LYS CB C 10 34.010 34.010 31.229 2.781 19192 542 1 14 . 1 1 10 10 LYS H H 10 8.059 8.059 8.099 -0.040 19192 543 1 14 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.535 0.580 19192 544 1 14 . 1 1 11 11 ALA CA C 11 52.520 52.520 53.528 -1.008 19192 545 1 14 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.862 0.888 19192 546 1 14 . 1 1 11 11 ALA H H 11 8.169 8.169 7.334 0.835 19192 547 1 15 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.769 -0.074 19192 548 1 15 . 1 1 2 2 TRP CA C 2 57.250 57.250 55.260 1.990 19192 549 1 15 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.782 1.438 19192 550 1 15 . 1 1 2 2 TRP H H 2 8.187 8.187 7.914 0.273 19192 551 1 15 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.211 0.082 19192 552 1 15 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.440 0.860 19192 553 1 15 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.477 -0.007 19192 554 1 15 . 1 1 3 3 LEU H H 3 8.058 8.058 8.380 -0.322 19192 555 1 15 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.579 -0.304 19192 556 1 15 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.721 -0.721 19192 557 1 15 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.488 -0.738 19192 558 1 15 . 1 1 4 4 LYS H H 4 8.175 8.175 8.384 -0.209 19192 559 1 15 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.074 0.211 19192 560 1 15 . 1 1 5 5 LYS CA C 5 56.200 56.200 58.848 -2.648 19192 561 1 15 . 1 1 5 5 LYS CB C 5 33.040 33.040 32.393 0.647 19192 562 1 15 . 1 1 5 5 LYS H H 5 8.173 8.173 8.610 -0.437 19192 563 1 15 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.463 -0.352 19192 564 1 15 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.379 0.471 19192 565 1 15 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.744 -0.744 19192 566 1 15 . 1 1 6 6 ARG H H 6 8.140 8.140 8.722 -0.582 19192 567 1 15 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.164 0.002 19192 568 1 15 . 1 1 7 7 ARG CA C 7 56.670 56.670 56.501 0.169 19192 569 1 15 . 1 1 7 7 ARG CB C 7 30.000 30.000 31.009 -1.010 19192 570 1 15 . 1 1 7 7 ARG H H 7 8.191 8.191 8.091 0.100 19192 571 1 15 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.742 0.098 19192 572 1 15 . 1 1 8 8 TRP CB C 8 30.190 30.190 30.695 -0.505 19192 573 1 15 . 1 1 8 8 TRP H H 8 7.917 7.917 8.231 -0.314 19192 574 1 15 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.679 -0.219 19192 575 1 15 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.537 0.233 19192 576 1 15 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.818 0.982 19192 577 1 15 . 1 1 9 9 LYS H H 9 8.291 8.291 8.496 -0.205 19192 578 1 15 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.669 -0.384 19192 579 1 15 . 1 1 10 10 LYS CA C 10 56.200 56.200 57.125 -0.925 19192 580 1 15 . 1 1 10 10 LYS CB C 10 34.010 34.010 33.464 0.546 19192 581 1 15 . 1 1 10 10 LYS H H 10 8.059 8.059 8.286 -0.227 19192 582 1 15 . 1 1 11 11 ALA HA H 11 4.115 4.115 3.960 0.155 19192 583 1 15 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.059 0.462 19192 584 1 15 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.785 0.965 19192 585 1 15 . 1 1 11 11 ALA H H 11 8.169 8.169 7.924 0.245 19192 586 1 16 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.772 -0.077 19192 587 1 16 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.449 -0.199 19192 588 1 16 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.362 1.858 19192 589 1 16 . 1 1 2 2 TRP H H 2 8.187 8.187 7.684 0.503 19192 590 1 16 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.701 0.592 19192 591 1 16 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.896 1.404 19192 592 1 16 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.532 0.938 19192 593 1 16 . 1 1 3 3 LEU H H 3 8.058 8.058 7.108 0.950 19192 594 1 16 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.030 0.245 19192 595 1 16 . 1 1 4 4 LYS CA C 4 57.000 57.000 57.459 -0.459 19192 596 1 16 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.768 -0.018 19192 597 1 16 . 1 1 4 4 LYS H H 4 8.175 8.175 8.163 0.012 19192 598 1 16 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.612 -0.327 19192 599 1 16 . 1 1 5 5 LYS CA C 5 56.200 56.200 55.419 0.781 19192 600 1 16 . 1 1 5 5 LYS CB C 5 33.040 33.040 35.689 -2.649 19192 601 1 16 . 1 1 5 5 LYS H H 5 8.173 8.173 8.535 -0.362 19192 602 1 16 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.066 0.045 19192 603 1 16 . 1 1 6 6 ARG CA C 6 56.850 56.850 57.799 -0.949 19192 604 1 16 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.930 0.070 19192 605 1 16 . 1 1 6 6 ARG H H 6 8.140 8.140 8.547 -0.407 19192 606 1 16 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.942 0.224 19192 607 1 16 . 1 1 7 7 ARG CA C 7 56.670 56.670 58.799 -2.129 19192 608 1 16 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.811 0.189 19192 609 1 16 . 1 1 7 7 ARG H H 7 8.191 8.191 8.598 -0.407 19192 610 1 16 . 1 1 8 8 TRP CA C 8 56.840 56.840 58.212 -1.372 19192 611 1 16 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.836 0.354 19192 612 1 16 . 1 1 8 8 TRP H H 8 7.917 7.917 7.534 0.383 19192 613 1 16 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.141 0.319 19192 614 1 16 . 1 1 9 9 LYS CA C 9 56.770 56.770 57.168 -0.398 19192 615 1 16 . 1 1 9 9 LYS CB C 9 33.800 33.800 31.507 2.293 19192 616 1 16 . 1 1 9 9 LYS H H 9 8.291 8.291 8.355 -0.064 19192 617 1 16 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.471 -0.186 19192 618 1 16 . 1 1 10 10 LYS CA C 10 56.200 56.200 54.952 1.248 19192 619 1 16 . 1 1 10 10 LYS CB C 10 34.010 34.010 35.323 -1.313 19192 620 1 16 . 1 1 10 10 LYS H H 10 8.059 8.059 7.952 0.107 19192 621 1 16 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.727 -0.612 19192 622 1 16 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.475 1.045 19192 623 1 16 . 1 1 11 11 ALA CB C 11 19.750 19.750 20.405 -0.655 19192 624 1 16 . 1 1 11 11 ALA H H 11 8.169 8.169 8.599 -0.430 19192 625 1 17 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.972 -0.277 19192 626 1 17 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.393 -0.143 19192 627 1 17 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.830 0.390 19192 628 1 17 . 1 1 2 2 TRP H H 2 8.187 8.187 8.723 -0.536 19192 629 1 17 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.400 -0.107 19192 630 1 17 . 1 1 3 3 LEU CA C 3 56.300 56.300 55.976 0.324 19192 631 1 17 . 1 1 3 3 LEU CB C 3 42.470 42.470 43.208 -0.738 19192 632 1 17 . 1 1 3 3 LEU H H 3 8.058 8.058 8.236 -0.178 19192 633 1 17 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.493 -0.218 19192 634 1 17 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.997 0.003 19192 635 1 17 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.320 1.430 19192 636 1 17 . 1 1 4 4 LYS H H 4 8.175 8.175 8.327 -0.152 19192 637 1 17 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.461 -0.176 19192 638 1 17 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.809 -0.609 19192 639 1 17 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.547 -1.507 19192 640 1 17 . 1 1 5 5 LYS H H 5 8.173 8.173 8.574 -0.401 19192 641 1 17 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.390 -0.279 19192 642 1 17 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.824 1.026 19192 643 1 17 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.270 -0.270 19192 644 1 17 . 1 1 6 6 ARG H H 6 8.140 8.140 8.565 -0.425 19192 645 1 17 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.962 0.204 19192 646 1 17 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.521 -0.851 19192 647 1 17 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.297 0.703 19192 648 1 17 . 1 1 7 7 ARG H H 7 8.191 8.191 8.745 -0.554 19192 649 1 17 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.078 0.762 19192 650 1 17 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.497 0.693 19192 651 1 17 . 1 1 8 8 TRP H H 8 7.917 7.917 7.796 0.121 19192 652 1 17 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.472 -0.012 19192 653 1 17 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.860 0.910 19192 654 1 17 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.896 -0.096 19192 655 1 17 . 1 1 9 9 LYS H H 9 8.291 8.291 8.964 -0.673 19192 656 1 17 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.041 0.244 19192 657 1 17 . 1 1 10 10 LYS CA C 10 56.200 56.200 59.558 -3.358 19192 658 1 17 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.651 1.359 19192 659 1 17 . 1 1 10 10 LYS H H 10 8.059 8.059 8.595 -0.536 19192 660 1 17 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.397 -0.282 19192 661 1 17 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.963 0.557 19192 662 1 17 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.168 0.582 19192 663 1 17 . 1 1 11 11 ALA H H 11 8.169 8.169 7.824 0.345 19192 664 1 18 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.611 0.084 19192 665 1 18 . 1 1 2 2 TRP CA C 2 57.250 57.250 56.828 0.422 19192 666 1 18 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.212 1.008 19192 667 1 18 . 1 1 2 2 TRP H H 2 8.187 8.187 7.959 0.228 19192 668 1 18 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.065 0.228 19192 669 1 18 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.734 1.566 19192 670 1 18 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.467 0.003 19192 671 1 18 . 1 1 3 3 LEU H H 3 8.058 8.058 8.114 -0.056 19192 672 1 18 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.682 -0.407 19192 673 1 18 . 1 1 4 4 LYS CA C 4 57.000 57.000 55.252 1.748 19192 674 1 18 . 1 1 4 4 LYS CB C 4 32.750 32.750 34.586 -1.836 19192 675 1 18 . 1 1 4 4 LYS H H 4 8.175 8.175 8.201 -0.026 19192 676 1 18 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.490 -0.205 19192 677 1 18 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.837 -0.637 19192 678 1 18 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.599 -1.559 19192 679 1 18 . 1 1 5 5 LYS H H 5 8.173 8.173 8.693 -0.520 19192 680 1 18 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.428 -0.317 19192 681 1 18 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.152 0.698 19192 682 1 18 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.701 0.299 19192 683 1 18 . 1 1 6 6 ARG H H 6 8.140 8.140 8.703 -0.563 19192 684 1 18 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.953 0.213 19192 685 1 18 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.306 -0.636 19192 686 1 18 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.047 0.953 19192 687 1 18 . 1 1 7 7 ARG H H 7 8.191 8.191 8.699 -0.508 19192 688 1 18 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.599 0.241 19192 689 1 18 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.847 0.343 19192 690 1 18 . 1 1 8 8 TRP H H 8 7.917 7.917 7.944 -0.027 19192 691 1 18 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.445 0.015 19192 692 1 18 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.345 0.425 19192 693 1 18 . 1 1 9 9 LYS CB C 9 33.800 33.800 32.589 1.211 19192 694 1 18 . 1 1 9 9 LYS H H 9 8.291 8.291 8.398 -0.107 19192 695 1 18 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.288 -0.003 19192 696 1 18 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.733 -0.534 19192 697 1 18 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.609 1.401 19192 698 1 18 . 1 1 10 10 LYS H H 10 8.059 8.059 8.479 -0.420 19192 699 1 18 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.240 -0.125 19192 700 1 18 . 1 1 11 11 ALA CA C 11 52.520 52.520 51.584 0.936 19192 701 1 18 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.924 -0.174 19192 702 1 18 . 1 1 11 11 ALA H H 11 8.169 8.169 7.898 0.271 19192 703 1 19 . 1 1 2 2 TRP HA H 2 4.695 4.695 4.344 0.351 19192 704 1 19 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.876 -0.626 19192 705 1 19 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.900 1.320 19192 706 1 19 . 1 1 2 2 TRP H H 2 8.187 8.187 8.368 -0.181 19192 707 1 19 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.909 0.384 19192 708 1 19 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.373 1.927 19192 709 1 19 . 1 1 3 3 LEU CB C 3 42.470 42.470 41.765 0.705 19192 710 1 19 . 1 1 3 3 LEU H H 3 8.058 8.058 7.507 0.551 19192 711 1 19 . 1 1 4 4 LYS HA H 4 4.275 4.275 3.912 0.363 19192 712 1 19 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.798 0.202 19192 713 1 19 . 1 1 4 4 LYS CB C 4 32.750 32.750 31.063 1.687 19192 714 1 19 . 1 1 4 4 LYS H H 4 8.175 8.175 6.189 1.986 19192 715 1 19 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.368 -0.083 19192 716 1 19 . 1 1 5 5 LYS CA C 5 56.200 56.200 56.661 -0.461 19192 717 1 19 . 1 1 5 5 LYS CB C 5 33.040 33.040 34.613 -1.573 19192 718 1 19 . 1 1 5 5 LYS H H 5 8.173 8.173 8.250 -0.077 19192 719 1 19 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.534 -0.423 19192 720 1 19 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.063 0.787 19192 721 1 19 . 1 1 6 6 ARG CB C 6 30.000 30.000 29.421 0.579 19192 722 1 19 . 1 1 6 6 ARG H H 6 8.140 8.140 8.803 -0.663 19192 723 1 19 . 1 1 7 7 ARG HA H 7 4.166 4.166 3.952 0.214 19192 724 1 19 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.511 -0.841 19192 725 1 19 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.444 0.556 19192 726 1 19 . 1 1 7 7 ARG H H 7 8.191 8.191 8.651 -0.460 19192 727 1 19 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.528 0.312 19192 728 1 19 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.350 0.840 19192 729 1 19 . 1 1 8 8 TRP H H 8 7.917 7.917 7.841 0.076 19192 730 1 19 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.357 0.102 19192 731 1 19 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.735 0.035 19192 732 1 19 . 1 1 9 9 LYS CB C 9 33.800 33.800 34.625 -0.825 19192 733 1 19 . 1 1 9 9 LYS H H 9 8.291 8.291 8.615 -0.324 19192 734 1 19 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.624 -0.339 19192 735 1 19 . 1 1 10 10 LYS CA C 10 56.200 56.200 55.204 0.996 19192 736 1 19 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.616 1.394 19192 737 1 19 . 1 1 10 10 LYS H H 10 8.059 8.059 8.170 -0.111 19192 738 1 19 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.665 -0.550 19192 739 1 19 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.361 0.159 19192 740 1 19 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.434 0.316 19192 741 1 19 . 1 1 11 11 ALA H H 11 8.169 8.169 8.452 -0.283 19192 742 1 20 . 1 1 2 2 TRP HA H 2 4.695 4.695 5.108 -0.413 19192 743 1 20 . 1 1 2 2 TRP CA C 2 57.250 57.250 56.399 0.851 19192 744 1 20 . 1 1 2 2 TRP CB C 2 30.220 30.220 28.860 1.360 19192 745 1 20 . 1 1 2 2 TRP H H 2 8.187 8.187 7.633 0.554 19192 746 1 20 . 1 1 3 3 LEU HA H 3 4.293 4.293 3.965 0.328 19192 747 1 20 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.824 1.476 19192 748 1 20 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.956 -0.485 19192 749 1 20 . 1 1 3 3 LEU H H 3 8.058 8.058 7.592 0.466 19192 750 1 20 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.654 -0.379 19192 751 1 20 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.992 0.008 19192 752 1 20 . 1 1 4 4 LYS CB C 4 32.750 32.750 33.848 -1.098 19192 753 1 20 . 1 1 4 4 LYS H H 4 8.175 8.175 8.499 -0.324 19192 754 1 20 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.070 0.215 19192 755 1 20 . 1 1 5 5 LYS CA C 5 56.200 56.200 58.835 -2.635 19192 756 1 20 . 1 1 5 5 LYS CB C 5 33.040 33.040 31.410 1.630 19192 757 1 20 . 1 1 5 5 LYS H H 5 8.173 8.173 8.237 -0.064 19192 758 1 20 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.405 -0.294 19192 759 1 20 . 1 1 6 6 ARG CA C 6 56.850 56.850 55.766 1.084 19192 760 1 20 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.773 -0.773 19192 761 1 20 . 1 1 6 6 ARG H H 6 8.140 8.140 8.217 -0.077 19192 762 1 20 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.021 0.145 19192 763 1 20 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.720 -1.050 19192 764 1 20 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.008 0.992 19192 765 1 20 . 1 1 7 7 ARG H H 7 8.191 8.191 8.512 -0.321 19192 766 1 20 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.248 0.592 19192 767 1 20 . 1 1 8 8 TRP CB C 8 30.190 30.190 26.881 3.309 19192 768 1 20 . 1 1 8 8 TRP H H 8 7.917 7.917 7.857 0.060 19192 769 1 20 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.870 -0.410 19192 770 1 20 . 1 1 9 9 LYS CA C 9 56.770 56.770 55.400 1.371 19192 771 1 20 . 1 1 9 9 LYS CB C 9 33.800 33.800 31.482 2.318 19192 772 1 20 . 1 1 9 9 LYS H H 9 8.291 8.291 8.714 -0.423 19192 773 1 20 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.288 -0.003 19192 774 1 20 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.012 0.188 19192 775 1 20 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.508 1.502 19192 776 1 20 . 1 1 10 10 LYS H H 10 8.059 8.059 8.034 0.025 19192 777 1 20 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.413 -0.298 19192 778 1 20 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.525 -0.005 19192 779 1 20 . 1 1 11 11 ALA CB C 11 19.750 19.750 18.639 1.111 19192 780 1 20 . 1 1 11 11 ALA H H 11 8.169 8.169 8.592 -0.423 19192 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 19192 2 1 1 "Average Difference" HA 9 0.380 -0.088 0.392 19192 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19192 4 1 1 "Average Difference" CA 10 0.882 0.103 0.924 19192 5 1 1 "Average Difference" CB 10 0.911 -0.367 0.878 19192 6 1 1 "Average Difference" HN 10 0.333 0.088 0.338 19192 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19192 8 1 2 "Average Difference" HA 9 0.543 -0.058 0.573 19192 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19192 10 1 2 "Average Difference" CA 10 0.989 -0.044 1.041 19192 11 1 2 "Average Difference" CB 10 1.677 -0.393 1.719 19192 12 1 2 "Average Difference" HN 10 0.451 0.084 0.467 19192 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19192 14 1 3 "Average Difference" HA 9 0.239 0.059 0.246 19192 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19192 16 1 3 "Average Difference" CA 10 1.241 -0.379 1.245 19192 17 1 3 "Average Difference" CB 10 1.427 0.444 1.430 19192 18 1 3 "Average Difference" HN 10 0.420 -0.071 0.437 19192 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19192 20 1 4 "Average Difference" HA 9 0.455 0.016 0.483 19192 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19192 22 1 4 "Average Difference" CA 10 1.034 -0.068 1.087 19192 23 1 4 "Average Difference" CB 10 1.181 -0.516 1.120 19192 24 1 4 "Average Difference" HN 10 0.663 -0.112 0.689 19192 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19192 26 1 5 "Average Difference" HA 9 0.175 0.062 0.174 19192 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19192 28 1 5 "Average Difference" CA 10 1.068 -0.040 1.124 19192 29 1 5 "Average Difference" CB 10 0.935 -0.684 0.672 19192 30 1 5 "Average Difference" HN 10 0.328 0.096 0.331 19192 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19192 32 1 6 "Average Difference" HA 9 0.336 0.295 0.169 19192 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19192 34 1 6 "Average Difference" CA 10 1.112 -0.717 0.896 19192 35 1 6 "Average Difference" CB 10 0.900 0.467 0.812 19192 36 1 6 "Average Difference" HN 10 0.345 0.070 0.356 19192 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19192 38 1 7 "Average Difference" HA 9 0.257 0.047 0.269 19192 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19192 40 1 7 "Average Difference" CA 10 1.628 0.196 1.704 19192 41 1 7 "Average Difference" CB 10 0.776 -0.049 0.817 19192 42 1 7 "Average Difference" HN 10 0.366 0.176 0.338 19192 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19192 44 1 8 "Average Difference" HA 9 0.236 0.109 0.222 19192 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19192 46 1 8 "Average Difference" CA 10 0.831 -0.336 0.801 19192 47 1 8 "Average Difference" CB 10 1.021 -0.342 1.015 19192 48 1 8 "Average Difference" HN 10 0.313 -0.062 0.323 19192 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19192 50 1 9 "Average Difference" HA 9 0.311 0.125 0.302 19192 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19192 52 1 9 "Average Difference" CA 10 0.892 -0.147 0.927 19192 53 1 9 "Average Difference" CB 10 1.156 0.149 1.209 19192 54 1 9 "Average Difference" HN 10 0.375 0.270 0.274 19192 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19192 56 1 10 "Average Difference" HA 9 0.202 0.079 0.197 19192 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19192 58 1 10 "Average Difference" CA 10 1.349 -0.085 1.419 19192 59 1 10 "Average Difference" CB 10 1.347 -0.744 1.183 19192 60 1 10 "Average Difference" HN 10 0.405 0.187 0.379 19192 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 19192 62 1 11 "Average Difference" HA 9 0.150 -0.045 0.152 19192 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19192 64 1 11 "Average Difference" CA 10 1.224 -0.064 1.289 19192 65 1 11 "Average Difference" CB 10 1.135 -0.614 1.006 19192 66 1 11 "Average Difference" HN 10 0.324 0.197 0.271 19192 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 19192 68 1 12 "Average Difference" HA 9 0.239 0.070 0.243 19192 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19192 70 1 12 "Average Difference" CA 10 1.160 -0.214 1.202 19192 71 1 12 "Average Difference" CB 10 0.916 -0.064 0.963 19192 72 1 12 "Average Difference" HN 10 0.277 0.209 0.192 19192 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 19192 74 1 13 "Average Difference" HA 9 0.301 0.044 0.316 19192 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19192 76 1 13 "Average Difference" CA 10 0.935 0.312 0.929 19192 77 1 13 "Average Difference" CB 10 1.253 -0.777 1.036 19192 78 1 13 "Average Difference" HN 10 0.412 -0.061 0.429 19192 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 19192 80 1 14 "Average Difference" HA 9 0.283 -0.000 0.300 19192 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19192 82 1 14 "Average Difference" CA 10 1.206 -0.217 1.251 19192 83 1 14 "Average Difference" CB 10 1.290 -0.428 1.283 19192 84 1 14 "Average Difference" HN 10 0.318 0.020 0.335 19192 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 19192 86 1 15 "Average Difference" HA 9 0.234 0.098 0.225 19192 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19192 88 1 15 "Average Difference" CA 10 1.167 0.001 1.230 19192 89 1 15 "Average Difference" CB 10 0.840 -0.157 0.869 19192 90 1 15 "Average Difference" HN 10 0.318 0.168 0.285 19192 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 19192 92 1 16 "Average Difference" HA 9 0.347 -0.025 0.368 19192 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19192 94 1 16 "Average Difference" CA 10 1.138 0.103 1.195 19192 95 1 16 "Average Difference" CB 10 1.376 -0.107 1.446 19192 96 1 16 "Average Difference" HN 10 0.443 -0.028 0.466 19192 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 19192 98 1 17 "Average Difference" HA 9 0.218 0.101 0.205 19192 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19192 100 1 17 "Average Difference" CA 10 1.236 0.138 1.294 19192 101 1 17 "Average Difference" CB 10 0.909 -0.255 0.919 19192 102 1 17 "Average Difference" HN 10 0.432 0.299 0.328 19192 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 19192 104 1 18 "Average Difference" HA 9 0.218 0.057 0.223 19192 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19192 106 1 18 "Average Difference" CA 10 0.916 -0.423 0.856 19192 107 1 18 "Average Difference" CB 10 1.067 -0.165 1.112 19192 108 1 18 "Average Difference" HN 10 0.341 0.173 0.310 19192 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 19192 110 1 19 "Average Difference" HA 9 0.343 -0.002 0.364 19192 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19192 112 1 19 "Average Difference" CA 10 0.825 -0.249 0.829 19192 113 1 19 "Average Difference" CB 10 1.079 -0.500 1.007 19192 114 1 19 "Average Difference" HN 10 0.717 -0.052 0.754 19192 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 19192 116 1 20 "Average Difference" HA 9 0.304 0.123 0.295 19192 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19192 118 1 20 "Average Difference" CA 10 1.199 -0.188 1.249 19192 119 1 20 "Average Difference" CB 10 1.654 -0.987 1.399 19192 120 1 20 "Average Difference" HN 10 0.332 0.053 0.346 19192 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 19192 _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 TRP HA H 2 4.695 4.695 4.744 -0.049 19192 2 1 . 1 1 2 2 TRP CA C 2 57.250 57.250 57.015 0.235 19192 3 1 . 1 1 2 2 TRP CB C 2 30.220 30.220 29.404 0.816 19192 4 1 . 1 1 2 2 TRP H H 2 8.187 8.187 8.145 0.042 19192 5 1 . 1 1 3 3 LEU HA H 3 4.293 4.293 4.131 0.162 19192 6 1 . 1 1 3 3 LEU CA C 3 56.300 56.300 54.777 1.523 19192 7 1 . 1 1 3 3 LEU CB C 3 42.470 42.470 42.420 0.050 19192 8 1 . 1 1 3 3 LEU H H 3 8.058 8.058 7.805 0.254 19192 9 1 . 1 1 4 4 LYS HA H 4 4.275 4.275 4.504 -0.229 19192 10 1 . 1 1 4 4 LYS CA C 4 57.000 57.000 56.541 0.459 19192 11 1 . 1 1 4 4 LYS CB C 4 32.750 32.750 32.854 -0.104 19192 12 1 . 1 1 4 4 LYS H H 4 8.175 8.175 8.100 0.075 19192 13 1 . 1 1 5 5 LYS HA H 5 4.285 4.285 4.377 -0.092 19192 14 1 . 1 1 5 5 LYS CA C 5 56.200 56.200 57.156 -0.956 19192 15 1 . 1 1 5 5 LYS CB C 5 33.040 33.040 33.676 -0.636 19192 16 1 . 1 1 5 5 LYS H H 5 8.173 8.173 8.558 -0.385 19192 17 1 . 1 1 6 6 ARG HA H 6 4.111 4.111 4.434 -0.323 19192 18 1 . 1 1 6 6 ARG CA C 6 56.850 56.850 56.272 0.578 19192 19 1 . 1 1 6 6 ARG CB C 6 30.000 30.000 30.382 -0.382 19192 20 1 . 1 1 6 6 ARG H H 6 8.140 8.140 8.401 -0.261 19192 21 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.034 0.132 19192 22 1 . 1 1 7 7 ARG CA C 7 56.670 56.670 57.252 -0.582 19192 23 1 . 1 1 7 7 ARG CB C 7 30.000 30.000 29.650 0.350 19192 24 1 . 1 1 7 7 ARG H H 7 8.191 8.191 8.491 -0.300 19192 25 1 . 1 1 8 8 TRP CA C 8 56.840 56.840 56.895 -0.055 19192 26 1 . 1 1 8 8 TRP CB C 8 30.190 30.190 29.487 0.703 19192 27 1 . 1 1 8 8 TRP H H 8 7.917 7.917 7.862 0.055 19192 28 1 . 1 1 9 9 LYS HA H 9 4.460 4.460 4.472 -0.012 19192 29 1 . 1 1 9 9 LYS CA C 9 56.770 56.770 56.339 0.431 19192 30 1 . 1 1 9 9 LYS CB C 9 33.800 33.800 33.330 0.470 19192 31 1 . 1 1 9 9 LYS H H 9 8.291 8.291 8.511 -0.220 19192 32 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.318 -0.033 19192 33 1 . 1 1 10 10 LYS CA C 10 56.200 56.200 56.699 -0.499 19192 34 1 . 1 1 10 10 LYS CB C 10 34.010 34.010 32.973 1.036 19192 35 1 . 1 1 10 10 LYS H H 10 8.059 8.059 8.272 -0.213 19192 36 1 . 1 1 11 11 ALA HA H 11 4.115 4.115 4.151 -0.036 19192 37 1 . 1 1 11 11 ALA CA C 11 52.520 52.520 52.492 0.028 19192 38 1 . 1 1 11 11 ALA CB C 11 19.750 19.750 19.011 0.739 19192 39 1 . 1 1 11 11 ALA H H 11 8.169 8.169 8.065 0.104 19192 stop_ save_