data_15879_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15879
_Entry.PDB_ID 2K6R
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 GLN HA H 2 4.431 4.373 0.058 1
1 2 . 1 1 1 A 2 2 GLN CA C 2 55.356 55.462 -0.106 1
1 3 . 1 1 1 A 3 3 GLN H H 3 8.498 8.347 0.151 1
1 4 . 1 1 1 A 3 3 GLN HA H 3 4.389 3.762 0.627 1
1 9 . 1 1 1 A 3 3 GLN CA C 3 56.006 55.930 0.076 1
1 10 . 1 1 1 A 4 4 TYR H H 4 8.236 7.711 0.525 1
1 11 . 1 1 1 A 4 4 TYR HA H 4 4.599 4.433 0.166 1
1 18 . 1 1 1 A 5 5 THR H H 5 7.881 8.832 -0.951 1
1 19 . 1 1 1 A 5 5 THR HA H 5 4.216 4.600 -0.384 1
1 24 . 1 1 1 A 5 5 THR CA C 5 62.394 62.013 0.381 1
1 52 . 1 1 1 A 9 9 LYS H H 9 8.044 8.688 -0.644 1
1 53 . 1 1 1 A 9 9 LYS HA H 9 4.143 4.726 -0.583 1
1 62 . 1 1 1 A 9 9 LYS CA C 9 56.732 55.391 1.341 1
1 63 . 1 1 1 A 10 10 GLY H H 10 8.197 8.772 -0.575 1
1 64 . 1 1 1 A 10 10 GLY HA2 H 10 4.015 3.977 0.038 1
1 65 . 1 1 1 A 10 10 GLY HA3 H 10 3.854 3.978 -0.124 1
1 66 . 1 1 1 A 10 10 GLY CA C 10 45.352 45.291 0.061 1
1 67 . 1 1 1 A 11 11 ARG H H 11 7.769 7.982 -0.213 1
1 68 . 1 1 1 A 11 11 ARG HA H 11 4.357 4.654 -0.297 1
1 76 . 1 1 1 A 11 11 ARG CA C 11 55.356 54.714 0.642 1
1 77 . 1 1 1 A 12 12 THR H H 12 7.891 8.905 -1.014 1
1 78 . 1 1 1 A 12 12 THR HA H 12 4.352 5.292 -0.940 1
1 83 . 1 1 1 A 12 12 THR CA C 12 61.230 60.037 1.193 1
1 84 . 1 1 1 A 13 13 PHE H H 13 8.194 9.091 -0.897 1
1 85 . 1 1 1 A 13 13 PHE HA H 13 4.806 5.056 -0.250 1
1 93 . 1 1 1 A 13 13 PHE CA C 13 56.923 56.382 0.541 1
1 94 . 1 1 1 A 14 14 ARG H H 14 9.143 8.958 0.185 1
1 95 . 1 1 1 A 14 14 ARG HA H 14 4.285 4.424 -0.139 1
1 102 . 1 1 1 A 14 14 ARG CA C 14 57.406 57.448 -0.042 1
1 103 . 1 1 1 A 15 15 ASN H H 15 7.696 8.089 -0.393 1
1 104 . 1 1 1 A 15 15 ASN HA H 15 4.724 5.003 -0.279 1
1 109 . 1 1 1 A 16 16 GLU H H 16 8.884 9.012 -0.128 1
1 110 . 1 1 1 A 16 16 GLU HA H 16 3.998 3.924 0.074 1
1 115 . 1 1 1 A 16 16 GLU CA C 16 59.272 59.239 0.033 1
1 116 . 1 1 1 A 17 17 LYS H H 17 8.121 8.251 -0.130 1
1 117 . 1 1 1 A 17 17 LYS HA H 17 4.035 3.998 0.037 1
1 124 . 1 1 1 A 17 17 LYS CA C 17 59.341 59.877 -0.536 1
1 125 . 1 1 1 A 18 18 GLU H H 18 8.173 8.076 0.097 1
1 126 . 1 1 1 A 18 18 GLU HA H 18 4.228 4.236 -0.008 1
1 131 . 1 1 1 A 18 18 GLU CA C 18 59.143 58.975 0.168 1
1 132 . 1 1 1 A 19 19 LEU H H 19 7.383 7.691 -0.308 1
1 133 . 1 1 1 A 19 19 LEU HA H 19 3.646 3.435 0.211 1
1 143 . 1 1 1 A 19 19 LEU CA C 19 57.594 57.184 0.410 1
1 144 . 1 1 1 A 20 20 ARG H H 20 8.353 8.172 0.181 1
1 145 . 1 1 1 A 20 20 ARG HA H 20 3.854 3.792 0.062 1
1 152 . 1 1 1 A 20 20 ARG CA C 20 59.831 59.621 0.210 1
1 153 . 1 1 1 A 21 21 ASP H H 21 8.481 7.651 0.830 1
1 154 . 1 1 1 A 21 21 ASP HA H 21 4.395 4.325 0.070 1
1 157 . 1 1 1 A 21 21 ASP CA C 21 57.083 57.104 -0.021 1
1 158 . 1 1 1 A 22 22 PHE H H 22 7.803 8.399 -0.596 1
1 159 . 1 1 1 A 22 22 PHE HA H 22 4.315 4.069 0.246 1
1 166 . 1 1 1 A 23 23 ILE H H 23 8.248 7.965 0.283 1
1 167 . 1 1 1 A 23 23 ILE HA H 23 3.406 3.276 0.130 1
1 177 . 1 1 1 A 23 23 ILE CA C 23 64.236 64.833 -0.597 1
1 178 . 1 1 1 A 24 24 GLU H H 24 8.306 8.064 0.242 1
1 179 . 1 1 1 A 24 24 GLU HA H 24 3.912 3.963 -0.051 1
1 184 . 1 1 1 A 24 24 GLU CA C 24 59.215 59.287 -0.072 1
1 185 . 1 1 1 A 25 25 LYS H H 25 7.605 7.342 0.263 1
1 186 . 1 1 1 A 25 25 LYS HA H 25 4.055 3.967 0.088 1
1 195 . 1 1 1 A 25 25 LYS CA C 25 58.116 58.547 -0.431 1
1 1 . 2 1 1 A 2 2 GLN HA H 2 4.431 4.164 0.267 1
1 2 . 2 1 1 A 2 2 GLN CA C 2 55.356 55.985 -0.629 1
1 3 . 2 1 1 A 3 3 GLN H H 3 8.498 8.459 0.039 1
1 4 . 2 1 1 A 3 3 GLN HA H 3 4.389 4.110 0.279 1
1 9 . 2 1 1 A 3 3 GLN CA C 3 56.006 55.153 0.853 1
1 10 . 2 1 1 A 4 4 TYR H H 4 8.236 7.630 0.606 1
1 11 . 2 1 1 A 4 4 TYR HA H 4 4.599 4.664 -0.065 1
1 18 . 2 1 1 A 5 5 THR H H 5 7.881 8.942 -1.061 1
1 19 . 2 1 1 A 5 5 THR HA H 5 4.216 4.677 -0.461 1
1 24 . 2 1 1 A 5 5 THR CA C 5 62.394 62.005 0.389 1
1 52 . 2 1 1 A 9 9 LYS H H 9 8.044 8.588 -0.544 1
1 53 . 2 1 1 A 9 9 LYS HA H 9 4.143 4.417 -0.274 1
1 62 . 2 1 1 A 9 9 LYS CA C 9 56.732 55.936 0.796 1
1 63 . 2 1 1 A 10 10 GLY H H 10 8.197 8.833 -0.636 1
1 64 . 2 1 1 A 10 10 GLY HA2 H 10 4.015 3.916 0.099 1
1 65 . 2 1 1 A 10 10 GLY HA3 H 10 3.854 3.917 -0.063 1
1 66 . 2 1 1 A 10 10 GLY CA C 10 45.352 45.479 -0.127 1
1 67 . 2 1 1 A 11 11 ARG H H 11 7.769 7.880 -0.111 1
1 68 . 2 1 1 A 11 11 ARG HA H 11 4.357 4.553 -0.196 1
1 76 . 2 1 1 A 11 11 ARG CA C 11 55.356 54.516 0.840 1
1 77 . 2 1 1 A 12 12 THR H H 12 7.891 8.434 -0.543 1
1 78 . 2 1 1 A 12 12 THR HA H 12 4.352 4.984 -0.632 1
1 83 . 2 1 1 A 12 12 THR CA C 12 61.230 59.471 1.759 1
1 84 . 2 1 1 A 13 13 PHE H H 13 8.194 8.353 -0.159 1
1 85 . 2 1 1 A 13 13 PHE HA H 13 4.806 4.817 -0.011 1
1 93 . 2 1 1 A 13 13 PHE CA C 13 56.923 56.205 0.718 1
1 94 . 2 1 1 A 14 14 ARG H H 14 9.143 8.662 0.481 1
1 95 . 2 1 1 A 14 14 ARG HA H 14 4.285 4.276 0.009 1
1 102 . 2 1 1 A 14 14 ARG CA C 14 57.406 59.006 -1.600 1
1 103 . 2 1 1 A 15 15 ASN H H 15 7.696 8.042 -0.346 1
1 104 . 2 1 1 A 15 15 ASN HA H 15 4.724 5.021 -0.297 1
1 109 . 2 1 1 A 16 16 GLU H H 16 8.884 9.000 -0.116 1
1 110 . 2 1 1 A 16 16 GLU HA H 16 3.998 4.008 -0.010 1
1 115 . 2 1 1 A 16 16 GLU CA C 16 59.272 59.539 -0.267 1
1 116 . 2 1 1 A 17 17 LYS H H 17 8.121 8.272 -0.151 1
1 117 . 2 1 1 A 17 17 LYS HA H 17 4.035 3.959 0.076 1
1 124 . 2 1 1 A 17 17 LYS CA C 17 59.341 59.734 -0.393 1
1 125 . 2 1 1 A 18 18 GLU H H 18 8.173 7.650 0.523 1
1 126 . 2 1 1 A 18 18 GLU HA H 18 4.228 3.988 0.240 1
1 131 . 2 1 1 A 18 18 GLU CA C 18 59.143 59.129 0.014 1
1 132 . 2 1 1 A 19 19 LEU H H 19 7.383 7.311 0.072 1
1 133 . 2 1 1 A 19 19 LEU HA H 19 3.646 2.933 0.713 1
1 143 . 2 1 1 A 19 19 LEU CA C 19 57.594 56.834 0.760 1
1 144 . 2 1 1 A 20 20 ARG H H 20 8.353 8.120 0.233 1
1 145 . 2 1 1 A 20 20 ARG HA H 20 3.854 3.801 0.053 1
1 152 . 2 1 1 A 20 20 ARG CA C 20 59.831 59.600 0.231 1
1 153 . 2 1 1 A 21 21 ASP H H 21 8.481 7.585 0.896 1
1 154 . 2 1 1 A 21 21 ASP HA H 21 4.395 4.316 0.079 1
1 157 . 2 1 1 A 21 21 ASP CA C 21 57.083 56.748 0.335 1
1 158 . 2 1 1 A 22 22 PHE H H 22 7.803 8.195 -0.392 1
1 159 . 2 1 1 A 22 22 PHE HA H 22 4.315 4.000 0.315 1
1 166 . 2 1 1 A 23 23 ILE H H 23 8.248 7.963 0.285 1
1 167 . 2 1 1 A 23 23 ILE HA H 23 3.406 3.328 0.078 1
1 177 . 2 1 1 A 23 23 ILE CA C 23 64.236 64.843 -0.607 1
1 178 . 2 1 1 A 24 24 GLU H H 24 8.306 8.019 0.287 1
1 179 . 2 1 1 A 24 24 GLU HA H 24 3.912 3.980 -0.068 1
1 184 . 2 1 1 A 24 24 GLU CA C 24 59.215 59.261 -0.046 1
1 185 . 2 1 1 A 25 25 LYS H H 25 7.605 7.009 0.596 1
1 186 . 2 1 1 A 25 25 LYS HA H 25 4.055 3.931 0.124 1
1 195 . 2 1 1 A 25 25 LYS CA C 25 58.116 58.510 -0.394 1
1 1 . 3 1 1 A 2 2 GLN HA H 2 4.431 4.281 0.150 1
1 2 . 3 1 1 A 2 2 GLN CA C 2 55.356 55.269 0.087 1
1 3 . 3 1 1 A 3 3 GLN H H 3 8.498 8.035 0.463 1
1 4 . 3 1 1 A 3 3 GLN HA H 3 4.389 3.999 0.390 1
1 9 . 3 1 1 A 3 3 GLN CA C 3 56.006 55.923 0.083 1
1 10 . 3 1 1 A 4 4 TYR H H 4 8.236 7.416 0.820 1
1 11 . 3 1 1 A 4 4 TYR HA H 4 4.599 4.582 0.017 1
1 18 . 3 1 1 A 5 5 THR H H 5 7.881 8.766 -0.885 1
1 19 . 3 1 1 A 5 5 THR HA H 5 4.216 4.586 -0.370 1
1 24 . 3 1 1 A 5 5 THR CA C 5 62.394 61.993 0.401 1
1 52 . 3 1 1 A 9 9 LYS H H 9 8.044 8.676 -0.632 1
1 53 . 3 1 1 A 9 9 LYS HA H 9 4.143 4.156 -0.013 1
1 62 . 3 1 1 A 9 9 LYS CA C 9 56.732 57.606 -0.874 1
1 63 . 3 1 1 A 10 10 GLY H H 10 8.197 8.855 -0.658 1
1 64 . 3 1 1 A 10 10 GLY HA2 H 10 4.015 3.980 0.035 1
1 65 . 3 1 1 A 10 10 GLY HA3 H 10 3.854 3.983 -0.129 1
1 66 . 3 1 1 A 10 10 GLY CA C 10 45.352 45.014 0.338 1
1 67 . 3 1 1 A 11 11 ARG H H 11 7.769 7.952 -0.183 1
1 68 . 3 1 1 A 11 11 ARG HA H 11 4.357 4.593 -0.236 1
1 76 . 3 1 1 A 11 11 ARG CA C 11 55.356 54.627 0.729 1
1 77 . 3 1 1 A 12 12 THR H H 12 7.891 8.639 -0.748 1
1 78 . 3 1 1 A 12 12 THR HA H 12 4.352 5.280 -0.928 1
1 83 . 3 1 1 A 12 12 THR CA C 12 61.230 59.999 1.231 1
1 84 . 3 1 1 A 13 13 PHE H H 13 8.194 9.000 -0.806 1
1 85 . 3 1 1 A 13 13 PHE HA H 13 4.806 5.031 -0.225 1
1 93 . 3 1 1 A 13 13 PHE CA C 13 56.923 56.322 0.601 1
1 94 . 3 1 1 A 14 14 ARG H H 14 9.143 8.971 0.172 1
1 95 . 3 1 1 A 14 14 ARG HA H 14 4.285 4.197 0.088 1
1 102 . 3 1 1 A 14 14 ARG CA C 14 57.406 58.963 -1.557 1
1 103 . 3 1 1 A 15 15 ASN H H 15 7.696 8.056 -0.360 1
1 104 . 3 1 1 A 15 15 ASN HA H 15 4.724 4.985 -0.261 1
1 109 . 3 1 1 A 16 16 GLU H H 16 8.884 9.041 -0.157 1
1 110 . 3 1 1 A 16 16 GLU HA H 16 3.998 3.966 0.032 1
1 115 . 3 1 1 A 16 16 GLU CA C 16 59.272 58.970 0.302 1
1 116 . 3 1 1 A 17 17 LYS H H 17 8.121 7.775 0.346 1
1 117 . 3 1 1 A 17 17 LYS HA H 17 4.035 4.019 0.016 1
1 124 . 3 1 1 A 17 17 LYS CA C 17 59.341 59.781 -0.440 1
1 125 . 3 1 1 A 18 18 GLU H H 18 8.173 8.181 -0.008 1
1 126 . 3 1 1 A 18 18 GLU HA H 18 4.228 3.956 0.272 1
1 131 . 3 1 1 A 18 18 GLU CA C 18 59.143 59.014 0.129 1
1 132 . 3 1 1 A 19 19 LEU H H 19 7.383 7.186 0.197 1
1 133 . 3 1 1 A 19 19 LEU HA H 19 3.646 2.982 0.664 1
1 143 . 3 1 1 A 19 19 LEU CA C 19 57.594 56.687 0.907 1
1 144 . 3 1 1 A 20 20 ARG H H 20 8.353 8.078 0.275 1
1 145 . 3 1 1 A 20 20 ARG HA H 20 3.854 3.746 0.108 1
1 152 . 3 1 1 A 20 20 ARG CA C 20 59.831 59.595 0.236 1
1 153 . 3 1 1 A 21 21 ASP H H 21 8.481 8.020 0.461 1
1 154 . 3 1 1 A 21 21 ASP HA H 21 4.395 4.315 0.080 1
1 157 . 3 1 1 A 21 21 ASP CA C 21 57.083 56.721 0.362 1
1 158 . 3 1 1 A 22 22 PHE H H 22 7.803 8.163 -0.360 1
1 159 . 3 1 1 A 22 22 PHE HA H 22 4.315 3.984 0.331 1
1 166 . 3 1 1 A 23 23 ILE H H 23 8.248 7.962 0.286 1
1 167 . 3 1 1 A 23 23 ILE HA H 23 3.406 3.344 0.062 1
1 177 . 3 1 1 A 23 23 ILE CA C 23 64.236 64.745 -0.509 1
1 178 . 3 1 1 A 24 24 GLU H H 24 8.306 8.046 0.260 1
1 179 . 3 1 1 A 24 24 GLU HA H 24 3.912 3.960 -0.048 1
1 184 . 3 1 1 A 24 24 GLU CA C 24 59.215 59.302 -0.087 1
1 185 . 3 1 1 A 25 25 LYS H H 25 7.605 7.053 0.552 1
1 186 . 3 1 1 A 25 25 LYS HA H 25 4.055 3.963 0.092 1
1 195 . 3 1 1 A 25 25 LYS CA C 25 58.116 58.524 -0.408 1
1 1 . 4 1 1 A 2 2 GLN HA H 2 4.431 4.308 0.123 1
1 2 . 4 1 1 A 2 2 GLN CA C 2 55.356 55.927 -0.571 1
1 3 . 4 1 1 A 3 3 GLN H H 3 8.498 8.400 0.098 1
1 4 . 4 1 1 A 3 3 GLN HA H 3 4.389 3.912 0.477 1
1 9 . 4 1 1 A 3 3 GLN CA C 3 56.006 55.954 0.052 1
1 10 . 4 1 1 A 4 4 TYR H H 4 8.236 7.276 0.960 1
1 11 . 4 1 1 A 4 4 TYR HA H 4 4.599 4.558 0.041 1
1 18 . 4 1 1 A 5 5 THR H H 5 7.881 8.854 -0.973 1
1 19 . 4 1 1 A 5 5 THR HA H 5 4.216 4.596 -0.380 1
1 24 . 4 1 1 A 5 5 THR CA C 5 62.394 61.994 0.400 1
1 52 . 4 1 1 A 9 9 LYS H H 9 8.044 8.722 -0.678 1
1 53 . 4 1 1 A 9 9 LYS HA H 9 4.143 4.427 -0.284 1
1 62 . 4 1 1 A 9 9 LYS CA C 9 56.732 56.926 -0.194 1
1 63 . 4 1 1 A 10 10 GLY H H 10 8.197 8.848 -0.651 1
1 64 . 4 1 1 A 10 10 GLY HA2 H 10 4.015 3.934 0.081 1
1 65 . 4 1 1 A 10 10 GLY HA3 H 10 3.854 3.938 -0.084 1
1 66 . 4 1 1 A 10 10 GLY CA C 10 45.352 45.485 -0.133 1
1 67 . 4 1 1 A 11 11 ARG H H 11 7.769 7.930 -0.161 1
1 68 . 4 1 1 A 11 11 ARG HA H 11 4.357 4.607 -0.250 1
1 76 . 4 1 1 A 11 11 ARG CA C 11 55.356 54.613 0.743 1
1 77 . 4 1 1 A 12 12 THR H H 12 7.891 8.599 -0.708 1
1 78 . 4 1 1 A 12 12 THR HA H 12 4.352 5.358 -1.006 1
1 83 . 4 1 1 A 12 12 THR CA C 12 61.230 59.749 1.481 1
1 84 . 4 1 1 A 13 13 PHE H H 13 8.194 9.026 -0.832 1
1 85 . 4 1 1 A 13 13 PHE HA H 13 4.806 4.939 -0.133 1
1 93 . 4 1 1 A 13 13 PHE CA C 13 56.923 56.403 0.520 1
1 94 . 4 1 1 A 14 14 ARG H H 14 9.143 8.966 0.177 1
1 95 . 4 1 1 A 14 14 ARG HA H 14 4.285 4.203 0.082 1
1 102 . 4 1 1 A 14 14 ARG CA C 14 57.406 58.945 -1.539 1
1 103 . 4 1 1 A 15 15 ASN H H 15 7.696 8.062 -0.366 1
1 104 . 4 1 1 A 15 15 ASN HA H 15 4.724 5.022 -0.298 1
1 109 . 4 1 1 A 16 16 GLU H H 16 8.884 9.012 -0.128 1
1 110 . 4 1 1 A 16 16 GLU HA H 16 3.998 3.825 0.173 1
1 115 . 4 1 1 A 16 16 GLU CA C 16 59.272 59.410 -0.138 1
1 116 . 4 1 1 A 17 17 LYS H H 17 8.121 8.238 -0.117 1
1 117 . 4 1 1 A 17 17 LYS HA H 17 4.035 3.926 0.109 1
1 124 . 4 1 1 A 17 17 LYS CA C 17 59.341 59.693 -0.352 1
1 125 . 4 1 1 A 18 18 GLU H H 18 8.173 7.690 0.483 1
1 126 . 4 1 1 A 18 18 GLU HA H 18 4.228 3.994 0.234 1
1 131 . 4 1 1 A 18 18 GLU CA C 18 59.143 59.131 0.012 1
1 132 . 4 1 1 A 19 19 LEU H H 19 7.383 7.324 0.059 1
1 133 . 4 1 1 A 19 19 LEU HA H 19 3.646 2.920 0.726 1
1 143 . 4 1 1 A 19 19 LEU CA C 19 57.594 56.897 0.697 1
1 144 . 4 1 1 A 20 20 ARG H H 20 8.353 8.068 0.285 1
1 145 . 4 1 1 A 20 20 ARG HA H 20 3.854 3.758 0.096 1
1 152 . 4 1 1 A 20 20 ARG CA C 20 59.831 59.570 0.261 1
1 153 . 4 1 1 A 21 21 ASP H H 21 8.481 7.554 0.927 1
1 154 . 4 1 1 A 21 21 ASP HA H 21 4.395 4.310 0.085 1
1 157 . 4 1 1 A 21 21 ASP CA C 21 57.083 56.733 0.350 1
1 158 . 4 1 1 A 22 22 PHE H H 22 7.803 8.203 -0.400 1
1 159 . 4 1 1 A 22 22 PHE HA H 22 4.315 4.004 0.311 1
1 166 . 4 1 1 A 23 23 ILE H H 23 8.248 7.967 0.281 1
1 167 . 4 1 1 A 23 23 ILE HA H 23 3.406 3.337 0.069 1
1 177 . 4 1 1 A 23 23 ILE CA C 23 64.236 64.862 -0.626 1
1 178 . 4 1 1 A 24 24 GLU H H 24 8.306 8.035 0.271 1
1 179 . 4 1 1 A 24 24 GLU HA H 24 3.912 3.955 -0.043 1
1 184 . 4 1 1 A 24 24 GLU CA C 24 59.215 59.294 -0.079 1
1 185 . 4 1 1 A 25 25 LYS H H 25 7.605 7.308 0.297 1
1 186 . 4 1 1 A 25 25 LYS HA H 25 4.055 3.942 0.113 1
1 195 . 4 1 1 A 25 25 LYS CA C 25 58.116 58.509 -0.393 1
1 1 . 5 1 1 A 2 2 GLN HA H 2 4.431 4.361 0.070 1
1 2 . 5 1 1 A 2 2 GLN CA C 2 55.356 54.991 0.365 1
1 3 . 5 1 1 A 3 3 GLN H H 3 8.498 8.350 0.148 1
1 4 . 5 1 1 A 3 3 GLN HA H 3 4.389 3.896 0.493 1
1 9 . 5 1 1 A 3 3 GLN CA C 3 56.006 55.783 0.223 1
1 10 . 5 1 1 A 4 4 TYR H H 4 8.236 7.711 0.525 1
1 11 . 5 1 1 A 4 4 TYR HA H 4 4.599 4.545 0.054 1
1 18 . 5 1 1 A 5 5 THR H H 5 7.881 8.939 -1.058 1
1 19 . 5 1 1 A 5 5 THR HA H 5 4.216 4.659 -0.443 1
1 24 . 5 1 1 A 5 5 THR CA C 5 62.394 61.971 0.423 1
1 52 . 5 1 1 A 9 9 LYS H H 9 8.044 8.592 -0.548 1
1 53 . 5 1 1 A 9 9 LYS HA H 9 4.143 4.573 -0.430 1
1 62 . 5 1 1 A 9 9 LYS CA C 9 56.732 55.700 1.032 1
1 63 . 5 1 1 A 10 10 GLY H H 10 8.197 8.735 -0.538 1
1 64 . 5 1 1 A 10 10 GLY HA2 H 10 4.015 3.958 0.057 1
1 65 . 5 1 1 A 10 10 GLY HA3 H 10 3.854 3.960 -0.106 1
1 66 . 5 1 1 A 10 10 GLY CA C 10 45.352 45.242 0.110 1
1 67 . 5 1 1 A 11 11 ARG H H 11 7.769 7.938 -0.169 1
1 68 . 5 1 1 A 11 11 ARG HA H 11 4.357 4.625 -0.268 1
1 76 . 5 1 1 A 11 11 ARG CA C 11 55.356 54.640 0.716 1
1 77 . 5 1 1 A 12 12 THR H H 12 7.891 8.606 -0.715 1
1 78 . 5 1 1 A 12 12 THR HA H 12 4.352 5.027 -0.675 1
1 83 . 5 1 1 A 12 12 THR CA C 12 61.230 59.898 1.332 1
1 84 . 5 1 1 A 13 13 PHE H H 13 8.194 8.255 -0.061 1
1 85 . 5 1 1 A 13 13 PHE HA H 13 4.806 4.862 -0.056 1
1 93 . 5 1 1 A 13 13 PHE CA C 13 56.923 56.083 0.840 1
1 94 . 5 1 1 A 14 14 ARG H H 14 9.143 8.949 0.194 1
1 95 . 5 1 1 A 14 14 ARG HA H 14 4.285 4.402 -0.117 1
1 102 . 5 1 1 A 14 14 ARG CA C 14 57.406 57.382 0.024 1
1 103 . 5 1 1 A 15 15 ASN H H 15 7.696 8.053 -0.357 1
1 104 . 5 1 1 A 15 15 ASN HA H 15 4.724 5.033 -0.309 1
1 109 . 5 1 1 A 16 16 GLU H H 16 8.884 9.175 -0.291 1
1 110 . 5 1 1 A 16 16 GLU HA H 16 3.998 4.100 -0.102 1
1 115 . 5 1 1 A 16 16 GLU CA C 16 59.272 59.197 0.075 1
1 116 . 5 1 1 A 17 17 LYS H H 17 8.121 8.223 -0.102 1
1 117 . 5 1 1 A 17 17 LYS HA H 17 4.035 4.005 0.030 1
1 124 . 5 1 1 A 17 17 LYS CA C 17 59.341 59.848 -0.507 1
1 125 . 5 1 1 A 18 18 GLU H H 18 8.173 8.019 0.154 1
1 126 . 5 1 1 A 18 18 GLU HA H 18 4.228 4.165 0.063 1
1 131 . 5 1 1 A 18 18 GLU CA C 18 59.143 58.984 0.159 1
1 132 . 5 1 1 A 19 19 LEU H H 19 7.383 7.531 -0.148 1
1 133 . 5 1 1 A 19 19 LEU HA H 19 3.646 3.218 0.428 1
1 143 . 5 1 1 A 19 19 LEU CA C 19 57.594 56.982 0.612 1
1 144 . 5 1 1 A 20 20 ARG H H 20 8.353 8.168 0.185 1
1 145 . 5 1 1 A 20 20 ARG HA H 20 3.854 3.792 0.062 1
1 152 . 5 1 1 A 20 20 ARG CA C 20 59.831 59.664 0.167 1
1 153 . 5 1 1 A 21 21 ASP H H 21 8.481 7.674 0.807 1
1 154 . 5 1 1 A 21 21 ASP HA H 21 4.395 4.359 0.036 1
1 157 . 5 1 1 A 21 21 ASP CA C 21 57.083 56.786 0.297 1
1 158 . 5 1 1 A 22 22 PHE H H 22 7.803 8.380 -0.577 1
1 159 . 5 1 1 A 22 22 PHE HA H 22 4.315 4.070 0.245 1
1 166 . 5 1 1 A 23 23 ILE H H 23 8.248 8.017 0.231 1
1 167 . 5 1 1 A 23 23 ILE HA H 23 3.406 3.380 0.026 1
1 177 . 5 1 1 A 23 23 ILE CA C 23 64.236 64.847 -0.611 1
1 178 . 5 1 1 A 24 24 GLU H H 24 8.306 8.129 0.177 1
1 179 . 5 1 1 A 24 24 GLU HA H 24 3.912 3.977 -0.065 1
1 184 . 5 1 1 A 24 24 GLU CA C 24 59.215 59.331 -0.116 1
1 185 . 5 1 1 A 25 25 LYS H H 25 7.605 7.292 0.313 1
1 186 . 5 1 1 A 25 25 LYS HA H 25 4.055 3.972 0.083 1
1 195 . 5 1 1 A 25 25 LYS CA C 25 58.116 58.518 -0.402 1
1 1 . 6 1 1 A 2 2 GLN HA H 2 4.431 4.366 0.065 1
1 2 . 6 1 1 A 2 2 GLN CA C 2 55.356 56.141 -0.785 1
1 3 . 6 1 1 A 3 3 GLN H H 3 8.498 8.333 0.165 1
1 4 . 6 1 1 A 3 3 GLN HA H 3 4.389 3.882 0.507 1
1 9 . 6 1 1 A 3 3 GLN CA C 3 56.006 55.919 0.087 1
1 10 . 6 1 1 A 4 4 TYR H H 4 8.236 7.386 0.850 1
1 11 . 6 1 1 A 4 4 TYR HA H 4 4.599 4.549 0.050 1
1 18 . 6 1 1 A 5 5 THR H H 5 7.881 8.888 -1.007 1
1 19 . 6 1 1 A 5 5 THR HA H 5 4.216 4.605 -0.389 1
1 24 . 6 1 1 A 5 5 THR CA C 5 62.394 62.042 0.352 1
1 52 . 6 1 1 A 9 9 LYS H H 9 8.044 8.673 -0.629 1
1 53 . 6 1 1 A 9 9 LYS HA H 9 4.143 4.691 -0.548 1
1 62 . 6 1 1 A 9 9 LYS CA C 9 56.732 55.576 1.156 1
1 63 . 6 1 1 A 10 10 GLY H H 10 8.197 8.894 -0.697 1
1 64 . 6 1 1 A 10 10 GLY HA2 H 10 4.015 3.948 0.067 1
1 65 . 6 1 1 A 10 10 GLY HA3 H 10 3.854 3.951 -0.097 1
1 66 . 6 1 1 A 10 10 GLY CA C 10 45.352 45.560 -0.208 1
1 67 . 6 1 1 A 11 11 ARG H H 11 7.769 7.965 -0.196 1
1 68 . 6 1 1 A 11 11 ARG HA H 11 4.357 4.650 -0.293 1
1 76 . 6 1 1 A 11 11 ARG CA C 11 55.356 54.684 0.672 1
1 77 . 6 1 1 A 12 12 THR H H 12 7.891 8.707 -0.816 1
1 78 . 6 1 1 A 12 12 THR HA H 12 4.352 5.331 -0.979 1
1 83 . 6 1 1 A 12 12 THR CA C 12 61.230 60.051 1.179 1
1 84 . 6 1 1 A 13 13 PHE H H 13 8.194 9.149 -0.955 1
1 85 . 6 1 1 A 13 13 PHE HA H 13 4.806 5.076 -0.270 1
1 93 . 6 1 1 A 13 13 PHE CA C 13 56.923 56.469 0.454 1
1 94 . 6 1 1 A 14 14 ARG H H 14 9.143 8.695 0.448 1
1 95 . 6 1 1 A 14 14 ARG HA H 14 4.285 4.425 -0.140 1
1 102 . 6 1 1 A 14 14 ARG CA C 14 57.406 57.498 -0.092 1
1 103 . 6 1 1 A 15 15 ASN H H 15 7.696 8.090 -0.394 1
1 104 . 6 1 1 A 15 15 ASN HA H 15 4.724 5.037 -0.313 1
1 109 . 6 1 1 A 16 16 GLU H H 16 8.884 9.171 -0.287 1
1 110 . 6 1 1 A 16 16 GLU HA H 16 3.998 4.064 -0.066 1
1 115 . 6 1 1 A 16 16 GLU CA C 16 59.272 59.132 0.140 1
1 116 . 6 1 1 A 17 17 LYS H H 17 8.121 8.220 -0.099 1
1 117 . 6 1 1 A 17 17 LYS HA H 17 4.035 3.999 0.036 1
1 124 . 6 1 1 A 17 17 LYS CA C 17 59.341 59.868 -0.527 1
1 125 . 6 1 1 A 18 18 GLU H H 18 8.173 8.070 0.103 1
1 126 . 6 1 1 A 18 18 GLU HA H 18 4.228 4.172 0.056 1
1 131 . 6 1 1 A 18 18 GLU CA C 18 59.143 58.969 0.174 1
1 132 . 6 1 1 A 19 19 LEU H H 19 7.383 7.589 -0.206 1
1 133 . 6 1 1 A 19 19 LEU HA H 19 3.646 3.440 0.206 1
1 143 . 6 1 1 A 19 19 LEU CA C 19 57.594 57.111 0.483 1
1 144 . 6 1 1 A 20 20 ARG H H 20 8.353 8.190 0.163 1
1 145 . 6 1 1 A 20 20 ARG HA H 20 3.854 3.790 0.064 1
1 152 . 6 1 1 A 20 20 ARG CA C 20 59.831 59.630 0.201 1
1 153 . 6 1 1 A 21 21 ASP H H 21 8.481 7.638 0.843 1
1 154 . 6 1 1 A 21 21 ASP HA H 21 4.395 4.352 0.043 1
1 157 . 6 1 1 A 21 21 ASP CA C 21 57.083 56.794 0.289 1
1 158 . 6 1 1 A 22 22 PHE H H 22 7.803 8.406 -0.603 1
1 159 . 6 1 1 A 22 22 PHE HA H 22 4.315 4.063 0.252 1
1 166 . 6 1 1 A 23 23 ILE H H 23 8.248 7.897 0.351 1
1 167 . 6 1 1 A 23 23 ILE HA H 23 3.406 3.334 0.072 1
1 177 . 6 1 1 A 23 23 ILE CA C 23 64.236 64.691 -0.455 1
1 178 . 6 1 1 A 24 24 GLU H H 24 8.306 8.210 0.096 1
1 179 . 6 1 1 A 24 24 GLU HA H 24 3.912 3.960 -0.048 1
1 184 . 6 1 1 A 24 24 GLU CA C 24 59.215 59.382 -0.167 1
1 185 . 6 1 1 A 25 25 LYS H H 25 7.605 7.094 0.511 1
1 186 . 6 1 1 A 25 25 LYS HA H 25 4.055 3.960 0.095 1
1 195 . 6 1 1 A 25 25 LYS CA C 25 58.116 58.546 -0.430 1
1 1 . 7 1 1 A 2 2 GLN HA H 2 4.431 4.272 0.159 1
1 2 . 7 1 1 A 2 2 GLN CA C 2 55.356 55.917 -0.561 1
1 3 . 7 1 1 A 3 3 GLN H H 3 8.498 8.363 0.135 1
1 4 . 7 1 1 A 3 3 GLN HA H 3 4.389 3.766 0.623 1
1 9 . 7 1 1 A 3 3 GLN CA C 3 56.006 55.877 0.129 1
1 10 . 7 1 1 A 4 4 TYR H H 4 8.236 7.662 0.574 1
1 11 . 7 1 1 A 4 4 TYR HA H 4 4.599 4.519 0.080 1
1 18 . 7 1 1 A 5 5 THR H H 5 7.881 8.941 -1.060 1
1 19 . 7 1 1 A 5 5 THR HA H 5 4.216 4.655 -0.439 1
1 24 . 7 1 1 A 5 5 THR CA C 5 62.394 61.991 0.403 1
1 52 . 7 1 1 A 9 9 LYS H H 9 8.044 8.679 -0.635 1
1 53 . 7 1 1 A 9 9 LYS HA H 9 4.143 4.493 -0.350 1
1 62 . 7 1 1 A 9 9 LYS CA C 9 56.732 56.187 0.545 1
1 63 . 7 1 1 A 10 10 GLY H H 10 8.197 8.799 -0.602 1
1 64 . 7 1 1 A 10 10 GLY HA2 H 10 4.015 3.970 0.045 1
1 65 . 7 1 1 A 10 10 GLY HA3 H 10 3.854 3.971 -0.117 1
1 66 . 7 1 1 A 10 10 GLY CA C 10 45.352 45.007 0.345 1
1 67 . 7 1 1 A 11 11 ARG H H 11 7.769 7.920 -0.151 1
1 68 . 7 1 1 A 11 11 ARG HA H 11 4.357 4.566 -0.209 1
1 76 . 7 1 1 A 11 11 ARG CA C 11 55.356 54.593 0.763 1
1 77 . 7 1 1 A 12 12 THR H H 12 7.891 8.513 -0.622 1
1 78 . 7 1 1 A 12 12 THR HA H 12 4.352 5.045 -0.693 1
1 83 . 7 1 1 A 12 12 THR CA C 12 61.230 59.720 1.510 1
1 84 . 7 1 1 A 13 13 PHE H H 13 8.194 8.367 -0.173 1
1 85 . 7 1 1 A 13 13 PHE HA H 13 4.806 4.867 -0.061 1
1 93 . 7 1 1 A 13 13 PHE CA C 13 56.923 56.114 0.809 1
1 94 . 7 1 1 A 14 14 ARG H H 14 9.143 8.645 0.498 1
1 95 . 7 1 1 A 14 14 ARG HA H 14 4.285 4.269 0.016 1
1 102 . 7 1 1 A 14 14 ARG CA C 14 57.406 58.992 -1.586 1
1 103 . 7 1 1 A 15 15 ASN H H 15 7.696 8.019 -0.323 1
1 104 . 7 1 1 A 15 15 ASN HA H 15 4.724 5.034 -0.310 1
1 109 . 7 1 1 A 16 16 GLU H H 16 8.884 9.022 -0.138 1
1 110 . 7 1 1 A 16 16 GLU HA H 16 3.998 3.912 0.086 1
1 115 . 7 1 1 A 16 16 GLU CA C 16 59.272 59.686 -0.414 1
1 116 . 7 1 1 A 17 17 LYS H H 17 8.121 7.935 0.186 1
1 117 . 7 1 1 A 17 17 LYS HA H 17 4.035 4.033 0.002 1
1 124 . 7 1 1 A 17 17 LYS CA C 17 59.341 60.100 -0.759 1
1 125 . 7 1 1 A 18 18 GLU H H 18 8.173 8.169 0.004 1
1 126 . 7 1 1 A 18 18 GLU HA H 18 4.228 3.937 0.291 1
1 131 . 7 1 1 A 18 18 GLU CA C 18 59.143 59.013 0.130 1
1 132 . 7 1 1 A 19 19 LEU H H 19 7.383 7.211 0.172 1
1 133 . 7 1 1 A 19 19 LEU HA H 19 3.646 2.920 0.726 1
1 143 . 7 1 1 A 19 19 LEU CA C 19 57.594 56.602 0.992 1
1 144 . 7 1 1 A 20 20 ARG H H 20 8.353 8.139 0.214 1
1 145 . 7 1 1 A 20 20 ARG HA H 20 3.854 3.793 0.061 1
1 152 . 7 1 1 A 20 20 ARG CA C 20 59.831 59.586 0.245 1
1 153 . 7 1 1 A 21 21 ASP H H 21 8.481 7.893 0.588 1
1 154 . 7 1 1 A 21 21 ASP HA H 21 4.395 4.314 0.081 1
1 157 . 7 1 1 A 21 21 ASP CA C 21 57.083 56.755 0.328 1
1 158 . 7 1 1 A 22 22 PHE H H 22 7.803 8.119 -0.316 1
1 159 . 7 1 1 A 22 22 PHE HA H 22 4.315 3.997 0.318 1
1 166 . 7 1 1 A 23 23 ILE H H 23 8.248 7.956 0.292 1
1 167 . 7 1 1 A 23 23 ILE HA H 23 3.406 3.363 0.043 1
1 177 . 7 1 1 A 23 23 ILE CA C 23 64.236 64.971 -0.735 1
1 178 . 7 1 1 A 24 24 GLU H H 24 8.306 7.992 0.314 1
1 179 . 7 1 1 A 24 24 GLU HA H 24 3.912 3.976 -0.064 1
1 184 . 7 1 1 A 24 24 GLU CA C 24 59.215 59.262 -0.047 1
1 185 . 7 1 1 A 25 25 LYS H H 25 7.605 7.070 0.535 1
1 186 . 7 1 1 A 25 25 LYS HA H 25 4.055 3.921 0.134 1
1 195 . 7 1 1 A 25 25 LYS CA C 25 58.116 58.524 -0.408 1
1 1 . 8 1 1 A 2 2 GLN HA H 2 4.431 4.296 0.135 1
1 2 . 8 1 1 A 2 2 GLN CA C 2 55.356 56.252 -0.896 1
1 3 . 8 1 1 A 3 3 GLN H H 3 8.498 8.376 0.122 1
1 4 . 8 1 1 A 3 3 GLN HA H 3 4.389 3.972 0.417 1
1 9 . 8 1 1 A 3 3 GLN CA C 3 56.006 56.016 -0.010 1
1 10 . 8 1 1 A 4 4 TYR H H 4 8.236 7.596 0.640 1
1 11 . 8 1 1 A 4 4 TYR HA H 4 4.599 4.662 -0.063 1
1 18 . 8 1 1 A 5 5 THR H H 5 7.881 8.961 -1.080 1
1 19 . 8 1 1 A 5 5 THR HA H 5 4.216 4.693 -0.477 1
1 24 . 8 1 1 A 5 5 THR CA C 5 62.394 61.973 0.421 1
1 52 . 8 1 1 A 9 9 LYS H H 9 8.044 8.654 -0.610 1
1 53 . 8 1 1 A 9 9 LYS HA H 9 4.143 4.261 -0.118 1
1 62 . 8 1 1 A 9 9 LYS CA C 9 56.732 57.163 -0.431 1
1 63 . 8 1 1 A 10 10 GLY H H 10 8.197 8.829 -0.632 1
1 64 . 8 1 1 A 10 10 GLY HA2 H 10 4.015 3.913 0.102 1
1 65 . 8 1 1 A 10 10 GLY HA3 H 10 3.854 3.917 -0.063 1
1 66 . 8 1 1 A 10 10 GLY CA C 10 45.352 45.582 -0.230 1
1 67 . 8 1 1 A 11 11 ARG H H 11 7.769 7.890 -0.121 1
1 68 . 8 1 1 A 11 11 ARG HA H 11 4.357 4.577 -0.220 1
1 76 . 8 1 1 A 11 11 ARG CA C 11 55.356 54.542 0.814 1
1 77 . 8 1 1 A 12 12 THR H H 12 7.891 8.447 -0.556 1
1 78 . 8 1 1 A 12 12 THR HA H 12 4.352 5.055 -0.703 1
1 83 . 8 1 1 A 12 12 THR CA C 12 61.230 59.497 1.733 1
1 84 . 8 1 1 A 13 13 PHE H H 13 8.194 8.426 -0.232 1
1 85 . 8 1 1 A 13 13 PHE HA H 13 4.806 4.832 -0.026 1
1 93 . 8 1 1 A 13 13 PHE CA C 13 56.923 56.163 0.760 1
1 94 . 8 1 1 A 14 14 ARG H H 14 9.143 8.811 0.332 1
1 95 . 8 1 1 A 14 14 ARG HA H 14 4.285 4.333 -0.048 1
1 102 . 8 1 1 A 14 14 ARG CA C 14 57.406 57.969 -0.563 1
1 103 . 8 1 1 A 15 15 ASN H H 15 7.696 8.119 -0.423 1
1 104 . 8 1 1 A 15 15 ASN HA H 15 4.724 5.009 -0.285 1
1 109 . 8 1 1 A 16 16 GLU H H 16 8.884 9.134 -0.250 1
1 110 . 8 1 1 A 16 16 GLU HA H 16 3.998 4.103 -0.105 1
1 115 . 8 1 1 A 16 16 GLU CA C 16 59.272 59.108 0.164 1
1 116 . 8 1 1 A 17 17 LYS H H 17 8.121 8.279 -0.158 1
1 117 . 8 1 1 A 17 17 LYS HA H 17 4.035 3.983 0.052 1
1 124 . 8 1 1 A 17 17 LYS CA C 17 59.341 59.770 -0.429 1
1 125 . 8 1 1 A 18 18 GLU H H 18 8.173 7.678 0.495 1
1 126 . 8 1 1 A 18 18 GLU HA H 18 4.228 4.081 0.147 1
1 131 . 8 1 1 A 18 18 GLU CA C 18 59.143 59.220 -0.077 1
1 132 . 8 1 1 A 19 19 LEU H H 19 7.383 7.467 -0.084 1
1 133 . 8 1 1 A 19 19 LEU HA H 19 3.646 3.091 0.555 1
1 143 . 8 1 1 A 19 19 LEU CA C 19 57.594 57.024 0.570 1
1 144 . 8 1 1 A 20 20 ARG H H 20 8.353 8.146 0.207 1
1 145 . 8 1 1 A 20 20 ARG HA H 20 3.854 3.809 0.045 1
1 152 . 8 1 1 A 20 20 ARG CA C 20 59.831 59.642 0.189 1
1 153 . 8 1 1 A 21 21 ASP H H 21 8.481 7.663 0.818 1
1 154 . 8 1 1 A 21 21 ASP HA H 21 4.395 4.352 0.043 1
1 157 . 8 1 1 A 21 21 ASP CA C 21 57.083 56.800 0.283 1
1 158 . 8 1 1 A 22 22 PHE H H 22 7.803 8.370 -0.567 1
1 159 . 8 1 1 A 22 22 PHE HA H 22 4.315 4.069 0.246 1
1 166 . 8 1 1 A 23 23 ILE H H 23 8.248 7.932 0.316 1
1 167 . 8 1 1 A 23 23 ILE HA H 23 3.406 3.342 0.064 1
1 177 . 8 1 1 A 23 23 ILE CA C 23 64.236 64.722 -0.486 1
1 178 . 8 1 1 A 24 24 GLU H H 24 8.306 8.132 0.174 1
1 179 . 8 1 1 A 24 24 GLU HA H 24 3.912 3.978 -0.066 1
1 184 . 8 1 1 A 24 24 GLU CA C 24 59.215 59.331 -0.116 1
1 185 . 8 1 1 A 25 25 LYS H H 25 7.605 7.070 0.535 1
1 186 . 8 1 1 A 25 25 LYS HA H 25 4.055 3.955 0.100 1
1 195 . 8 1 1 A 25 25 LYS CA C 25 58.116 58.540 -0.424 1
1 1 . 9 1 1 A 2 2 GLN HA H 2 4.431 4.311 0.120 1
1 2 . 9 1 1 A 2 2 GLN CA C 2 55.356 56.112 -0.756 1
1 3 . 9 1 1 A 3 3 GLN H H 3 8.498 8.270 0.228 1
1 4 . 9 1 1 A 3 3 GLN HA H 3 4.389 3.838 0.551 1
1 9 . 9 1 1 A 3 3 GLN CA C 3 56.006 55.766 0.240 1
1 10 . 9 1 1 A 4 4 TYR H H 4 8.236 7.377 0.859 1
1 11 . 9 1 1 A 4 4 TYR HA H 4 4.599 4.607 -0.008 1
1 18 . 9 1 1 A 5 5 THR H H 5 7.881 8.839 -0.958 1
1 19 . 9 1 1 A 5 5 THR HA H 5 4.216 4.594 -0.378 1
1 24 . 9 1 1 A 5 5 THR CA C 5 62.394 61.968 0.426 1
1 52 . 9 1 1 A 9 9 LYS H H 9 8.044 8.674 -0.630 1
1 53 . 9 1 1 A 9 9 LYS HA H 9 4.143 4.633 -0.490 1
1 62 . 9 1 1 A 9 9 LYS CA C 9 56.732 56.149 0.583 1
1 63 . 9 1 1 A 10 10 GLY H H 10 8.197 8.818 -0.621 1
1 64 . 9 1 1 A 10 10 GLY HA2 H 10 4.015 3.990 0.025 1
1 65 . 9 1 1 A 10 10 GLY HA3 H 10 3.854 3.990 -0.136 1
1 66 . 9 1 1 A 10 10 GLY CA C 10 45.352 44.997 0.355 1
1 67 . 9 1 1 A 11 11 ARG H H 11 7.769 7.943 -0.174 1
1 68 . 9 1 1 A 11 11 ARG HA H 11 4.357 4.587 -0.230 1
1 76 . 9 1 1 A 11 11 ARG CA C 11 55.356 54.654 0.702 1
1 77 . 9 1 1 A 12 12 THR H H 12 7.891 8.659 -0.768 1
1 78 . 9 1 1 A 12 12 THR HA H 12 4.352 5.309 -0.957 1
1 83 . 9 1 1 A 12 12 THR CA C 12 61.230 60.042 1.188 1
1 84 . 9 1 1 A 13 13 PHE H H 13 8.194 9.017 -0.823 1
1 85 . 9 1 1 A 13 13 PHE HA H 13 4.806 4.967 -0.161 1
1 93 . 9 1 1 A 13 13 PHE CA C 13 56.923 56.357 0.566 1
1 94 . 9 1 1 A 14 14 ARG H H 14 9.143 8.716 0.427 1
1 95 . 9 1 1 A 14 14 ARG HA H 14 4.285 4.242 0.043 1
1 102 . 9 1 1 A 14 14 ARG CA C 14 57.406 58.975 -1.569 1
1 103 . 9 1 1 A 15 15 ASN H H 15 7.696 8.064 -0.368 1
1 104 . 9 1 1 A 15 15 ASN HA H 15 4.724 5.014 -0.290 1
1 109 . 9 1 1 A 16 16 GLU H H 16 8.884 9.133 -0.249 1
1 110 . 9 1 1 A 16 16 GLU HA H 16 3.998 3.973 0.025 1
1 115 . 9 1 1 A 16 16 GLU CA C 16 59.272 58.999 0.273 1
1 116 . 9 1 1 A 17 17 LYS H H 17 8.121 8.224 -0.103 1
1 117 . 9 1 1 A 17 17 LYS HA H 17 4.035 3.933 0.102 1
1 124 . 9 1 1 A 17 17 LYS CA C 17 59.341 59.741 -0.400 1
1 125 . 9 1 1 A 18 18 GLU H H 18 8.173 7.646 0.527 1
1 126 . 9 1 1 A 18 18 GLU HA H 18 4.228 3.993 0.235 1
1 131 . 9 1 1 A 18 18 GLU CA C 18 59.143 59.099 0.044 1
1 132 . 9 1 1 A 19 19 LEU H H 19 7.383 7.324 0.059 1
1 133 . 9 1 1 A 19 19 LEU HA H 19 3.646 2.888 0.758 1
1 143 . 9 1 1 A 19 19 LEU CA C 19 57.594 56.885 0.709 1
1 144 . 9 1 1 A 20 20 ARG H H 20 8.353 8.064 0.289 1
1 145 . 9 1 1 A 20 20 ARG HA H 20 3.854 3.715 0.139 1
1 152 . 9 1 1 A 20 20 ARG CA C 20 59.831 59.604 0.227 1
1 153 . 9 1 1 A 21 21 ASP H H 21 8.481 7.541 0.940 1
1 154 . 9 1 1 A 21 21 ASP HA H 21 4.395 4.305 0.090 1
1 157 . 9 1 1 A 21 21 ASP CA C 21 57.083 56.723 0.360 1
1 158 . 9 1 1 A 22 22 PHE H H 22 7.803 8.243 -0.440 1
1 159 . 9 1 1 A 22 22 PHE HA H 22 4.315 4.003 0.312 1
1 166 . 9 1 1 A 23 23 ILE H H 23 8.248 7.929 0.319 1
1 167 . 9 1 1 A 23 23 ILE HA H 23 3.406 3.350 0.056 1
1 177 . 9 1 1 A 23 23 ILE CA C 23 64.236 64.816 -0.580 1
1 178 . 9 1 1 A 24 24 GLU H H 24 8.306 8.126 0.180 1
1 179 . 9 1 1 A 24 24 GLU HA H 24 3.912 3.902 0.010 1
1 184 . 9 1 1 A 24 24 GLU CA C 24 59.215 59.486 -0.271 1
1 185 . 9 1 1 A 25 25 LYS H H 25 7.605 7.006 0.599 1
1 186 . 9 1 1 A 25 25 LYS HA H 25 4.055 3.958 0.097 1
1 195 . 9 1 1 A 25 25 LYS CA C 25 58.116 58.492 -0.376 1
1 1 . 10 1 1 A 2 2 GLN HA H 2 4.431 4.324 0.107 1
1 2 . 10 1 1 A 2 2 GLN CA C 2 55.356 56.142 -0.786 1
1 3 . 10 1 1 A 3 3 GLN H H 3 8.498 8.462 0.036 1
1 4 . 10 1 1 A 3 3 GLN HA H 3 4.389 4.018 0.371 1
1 9 . 10 1 1 A 3 3 GLN CA C 3 56.006 55.942 0.064 1
1 10 . 10 1 1 A 4 4 TYR H H 4 8.236 7.421 0.815 1
1 11 . 10 1 1 A 4 4 TYR HA H 4 4.599 4.589 0.010 1
1 18 . 10 1 1 A 5 5 THR H H 5 7.881 8.819 -0.938 1
1 19 . 10 1 1 A 5 5 THR HA H 5 4.216 4.580 -0.364 1
1 24 . 10 1 1 A 5 5 THR CA C 5 62.394 62.015 0.379 1
1 52 . 10 1 1 A 9 9 LYS H H 9 8.044 8.656 -0.612 1
1 53 . 10 1 1 A 9 9 LYS HA H 9 4.143 4.121 0.022 1
1 62 . 10 1 1 A 9 9 LYS CA C 9 56.732 57.798 -1.066 1
1 63 . 10 1 1 A 10 10 GLY H H 10 8.197 8.840 -0.643 1
1 64 . 10 1 1 A 10 10 GLY HA2 H 10 4.015 3.975 0.040 1
1 65 . 10 1 1 A 10 10 GLY HA3 H 10 3.854 3.978 -0.124 1
1 66 . 10 1 1 A 10 10 GLY CA C 10 45.352 45.019 0.333 1
1 67 . 10 1 1 A 11 11 ARG H H 11 7.769 7.947 -0.178 1
1 68 . 10 1 1 A 11 11 ARG HA H 11 4.357 4.586 -0.229 1
1 76 . 10 1 1 A 11 11 ARG CA C 11 55.356 54.566 0.790 1
1 77 . 10 1 1 A 12 12 THR H H 12 7.891 8.608 -0.717 1
1 78 . 10 1 1 A 12 12 THR HA H 12 4.352 5.268 -0.916 1
1 83 . 10 1 1 A 12 12 THR CA C 12 61.230 59.979 1.251 1
1 84 . 10 1 1 A 13 13 PHE H H 13 8.194 8.968 -0.774 1
1 85 . 10 1 1 A 13 13 PHE HA H 13 4.806 5.014 -0.208 1
1 93 . 10 1 1 A 13 13 PHE CA C 13 56.923 56.297 0.626 1
1 94 . 10 1 1 A 14 14 ARG H H 14 9.143 8.967 0.176 1
1 95 . 10 1 1 A 14 14 ARG HA H 14 4.285 4.206 0.079 1
1 102 . 10 1 1 A 14 14 ARG CA C 14 57.406 58.866 -1.460 1
1 103 . 10 1 1 A 15 15 ASN H H 15 7.696 8.062 -0.366 1
1 104 . 10 1 1 A 15 15 ASN HA H 15 4.724 4.992 -0.268 1
1 109 . 10 1 1 A 16 16 GLU H H 16 8.884 9.095 -0.211 1
1 110 . 10 1 1 A 16 16 GLU HA H 16 3.998 4.002 -0.004 1
1 115 . 10 1 1 A 16 16 GLU CA C 16 59.272 58.992 0.280 1
1 116 . 10 1 1 A 17 17 LYS H H 17 8.121 7.815 0.306 1
1 117 . 10 1 1 A 17 17 LYS HA H 17 4.035 4.023 0.012 1
1 124 . 10 1 1 A 17 17 LYS CA C 17 59.341 59.892 -0.551 1
1 125 . 10 1 1 A 18 18 GLU H H 18 8.173 8.193 -0.020 1
1 126 . 10 1 1 A 18 18 GLU HA H 18 4.228 3.955 0.273 1
1 131 . 10 1 1 A 18 18 GLU CA C 18 59.143 58.998 0.145 1
1 132 . 10 1 1 A 19 19 LEU H H 19 7.383 7.224 0.159 1
1 133 . 10 1 1 A 19 19 LEU HA H 19 3.646 2.963 0.683 1
1 143 . 10 1 1 A 19 19 LEU CA C 19 57.594 56.719 0.875 1
1 144 . 10 1 1 A 20 20 ARG H H 20 8.353 8.074 0.279 1
1 145 . 10 1 1 A 20 20 ARG HA H 20 3.854 3.736 0.118 1
1 152 . 10 1 1 A 20 20 ARG CA C 20 59.831 59.619 0.212 1
1 153 . 10 1 1 A 21 21 ASP H H 21 8.481 7.826 0.655 1
1 154 . 10 1 1 A 21 21 ASP HA H 21 4.395 4.316 0.079 1
1 157 . 10 1 1 A 21 21 ASP CA C 21 57.083 57.053 0.030 1
1 158 . 10 1 1 A 22 22 PHE H H 22 7.803 8.221 -0.418 1
1 159 . 10 1 1 A 22 22 PHE HA H 22 4.315 4.012 0.303 1
1 166 . 10 1 1 A 23 23 ILE H H 23 8.248 8.009 0.239 1
1 167 . 10 1 1 A 23 23 ILE HA H 23 3.406 3.377 0.029 1
1 177 . 10 1 1 A 23 23 ILE CA C 23 64.236 64.827 -0.591 1
1 178 . 10 1 1 A 24 24 GLU H H 24 8.306 8.051 0.255 1
1 179 . 10 1 1 A 24 24 GLU HA H 24 3.912 3.961 -0.049 1
1 184 . 10 1 1 A 24 24 GLU CA C 24 59.215 59.301 -0.086 1
1 185 . 10 1 1 A 25 25 LYS H H 25 7.605 7.309 0.296 1
1 186 . 10 1 1 A 25 25 LYS HA H 25 4.055 3.954 0.101 1
1 195 . 10 1 1 A 25 25 LYS CA C 25 58.116 58.496 -0.380 1
1 1 . 11 1 1 A 2 2 GLN HA H 2 4.431 4.234 0.197 1
1 2 . 11 1 1 A 2 2 GLN CA C 2 55.356 55.210 0.146 1
1 3 . 11 1 1 A 3 3 GLN H H 3 8.498 8.012 0.486 1
1 4 . 11 1 1 A 3 3 GLN HA H 3 4.389 4.070 0.319 1
1 9 . 11 1 1 A 3 3 GLN CA C 3 56.006 55.144 0.862 1
1 10 . 11 1 1 A 4 4 TYR H H 4 8.236 7.604 0.632 1
1 11 . 11 1 1 A 4 4 TYR HA H 4 4.599 4.661 -0.062 1
1 18 . 11 1 1 A 5 5 THR H H 5 7.881 8.943 -1.062 1
1 19 . 11 1 1 A 5 5 THR HA H 5 4.216 4.677 -0.461 1
1 24 . 11 1 1 A 5 5 THR CA C 5 62.394 62.007 0.387 1
1 52 . 11 1 1 A 9 9 LYS H H 9 8.044 8.697 -0.653 1
1 53 . 11 1 1 A 9 9 LYS HA H 9 4.143 4.484 -0.341 1
1 62 . 11 1 1 A 9 9 LYS CA C 9 56.732 56.882 -0.150 1
1 63 . 11 1 1 A 10 10 GLY H H 10 8.197 8.826 -0.629 1
1 64 . 11 1 1 A 10 10 GLY HA2 H 10 4.015 3.920 0.095 1
1 65 . 11 1 1 A 10 10 GLY HA3 H 10 3.854 3.922 -0.068 1
1 66 . 11 1 1 A 10 10 GLY CA C 10 45.352 45.434 -0.082 1
1 67 . 11 1 1 A 11 11 ARG H H 11 7.769 7.885 -0.116 1
1 68 . 11 1 1 A 11 11 ARG HA H 11 4.357 4.554 -0.197 1
1 76 . 11 1 1 A 11 11 ARG CA C 11 55.356 54.559 0.797 1
1 77 . 11 1 1 A 12 12 THR H H 12 7.891 8.447 -0.556 1
1 78 . 11 1 1 A 12 12 THR HA H 12 4.352 4.982 -0.630 1
1 83 . 11 1 1 A 12 12 THR CA C 12 61.230 59.494 1.736 1
1 84 . 11 1 1 A 13 13 PHE H H 13 8.194 8.368 -0.174 1
1 85 . 11 1 1 A 13 13 PHE HA H 13 4.806 4.814 -0.008 1
1 93 . 11 1 1 A 13 13 PHE CA C 13 56.923 56.170 0.753 1
1 94 . 11 1 1 A 14 14 ARG H H 14 9.143 8.702 0.441 1
1 95 . 11 1 1 A 14 14 ARG HA H 14 4.285 4.238 0.047 1
1 102 . 11 1 1 A 14 14 ARG CA C 14 57.406 59.063 -1.657 1
1 103 . 11 1 1 A 15 15 ASN H H 15 7.696 8.040 -0.344 1
1 104 . 11 1 1 A 15 15 ASN HA H 15 4.724 5.033 -0.309 1
1 109 . 11 1 1 A 16 16 GLU H H 16 8.884 9.069 -0.185 1
1 110 . 11 1 1 A 16 16 GLU HA H 16 3.998 3.983 0.015 1
1 115 . 11 1 1 A 16 16 GLU CA C 16 59.272 59.666 -0.394 1
1 116 . 11 1 1 A 17 17 LYS H H 17 8.121 8.342 -0.221 1
1 117 . 11 1 1 A 17 17 LYS HA H 17 4.035 3.950 0.085 1
1 124 . 11 1 1 A 17 17 LYS CA C 17 59.341 59.703 -0.362 1
1 125 . 11 1 1 A 18 18 GLU H H 18 8.173 7.716 0.457 1
1 126 . 11 1 1 A 18 18 GLU HA H 18 4.228 3.974 0.254 1
1 131 . 11 1 1 A 18 18 GLU CA C 18 59.143 59.102 0.041 1
1 132 . 11 1 1 A 19 19 LEU H H 19 7.383 7.396 -0.013 1
1 133 . 11 1 1 A 19 19 LEU HA H 19 3.646 2.932 0.714 1
1 143 . 11 1 1 A 19 19 LEU CA C 19 57.594 56.916 0.678 1
1 144 . 11 1 1 A 20 20 ARG H H 20 8.353 8.112 0.241 1
1 145 . 11 1 1 A 20 20 ARG HA H 20 3.854 3.797 0.057 1
1 152 . 11 1 1 A 20 20 ARG CA C 20 59.831 59.595 0.236 1
1 153 . 11 1 1 A 21 21 ASP H H 21 8.481 7.653 0.828 1
1 154 . 11 1 1 A 21 21 ASP HA H 21 4.395 4.294 0.101 1
1 157 . 11 1 1 A 21 21 ASP CA C 21 57.083 57.017 0.066 1
1 158 . 11 1 1 A 22 22 PHE H H 22 7.803 8.171 -0.368 1
1 159 . 11 1 1 A 22 22 PHE HA H 22 4.315 4.006 0.309 1
1 166 . 11 1 1 A 23 23 ILE H H 23 8.248 7.899 0.349 1
1 167 . 11 1 1 A 23 23 ILE HA H 23 3.406 3.339 0.067 1
1 177 . 11 1 1 A 23 23 ILE CA C 23 64.236 64.997 -0.761 1
1 178 . 11 1 1 A 24 24 GLU H H 24 8.306 7.960 0.346 1
1 179 . 11 1 1 A 24 24 GLU HA H 24 3.912 3.959 -0.047 1
1 184 . 11 1 1 A 24 24 GLU CA C 24 59.215 59.252 -0.037 1
1 185 . 11 1 1 A 25 25 LYS H H 25 7.605 7.074 0.531 1
1 186 . 11 1 1 A 25 25 LYS HA H 25 4.055 3.921 0.134 1
1 195 . 11 1 1 A 25 25 LYS CA C 25 58.116 58.516 -0.400 1
1 1 . 12 1 1 A 2 2 GLN HA H 2 4.431 4.316 0.115 1
1 2 . 12 1 1 A 2 2 GLN CA C 2 55.356 55.885 -0.529 1
1 3 . 12 1 1 A 3 3 GLN H H 3 8.498 8.360 0.138 1
1 4 . 12 1 1 A 3 3 GLN HA H 3 4.389 3.841 0.548 1
1 9 . 12 1 1 A 3 3 GLN CA C 3 56.006 55.921 0.085 1
1 10 . 12 1 1 A 4 4 TYR H H 4 8.236 7.422 0.814 1
1 11 . 12 1 1 A 4 4 TYR HA H 4 4.599 4.592 0.007 1
1 18 . 12 1 1 A 5 5 THR H H 5 7.881 8.909 -1.028 1
1 19 . 12 1 1 A 5 5 THR HA H 5 4.216 4.634 -0.418 1
1 24 . 12 1 1 A 5 5 THR CA C 5 62.394 61.982 0.412 1
1 52 . 12 1 1 A 9 9 LYS H H 9 8.044 8.654 -0.610 1
1 53 . 12 1 1 A 9 9 LYS HA H 9 4.143 4.512 -0.369 1
1 62 . 12 1 1 A 9 9 LYS CA C 9 56.732 55.571 1.161 1
1 63 . 12 1 1 A 10 10 GLY H H 10 8.197 8.946 -0.749 1
1 64 . 12 1 1 A 10 10 GLY HA2 H 10 4.015 3.937 0.078 1
1 65 . 12 1 1 A 10 10 GLY HA3 H 10 3.854 3.940 -0.086 1
1 66 . 12 1 1 A 10 10 GLY CA C 10 45.352 45.540 -0.188 1
1 67 . 12 1 1 A 11 11 ARG H H 11 7.769 7.946 -0.177 1
1 68 . 12 1 1 A 11 11 ARG HA H 11 4.357 4.816 -0.459 1
1 76 . 12 1 1 A 11 11 ARG CA C 11 55.356 54.159 1.197 1
1 77 . 12 1 1 A 12 12 THR H H 12 7.891 8.549 -0.658 1
1 78 . 12 1 1 A 12 12 THR HA H 12 4.352 5.318 -0.966 1
1 83 . 12 1 1 A 12 12 THR CA C 12 61.230 59.386 1.844 1
1 84 . 12 1 1 A 13 13 PHE H H 13 8.194 9.037 -0.843 1
1 85 . 12 1 1 A 13 13 PHE HA H 13 4.806 5.003 -0.197 1
1 93 . 12 1 1 A 13 13 PHE CA C 13 56.923 56.305 0.618 1
1 94 . 12 1 1 A 14 14 ARG H H 14 9.143 8.967 0.176 1
1 95 . 12 1 1 A 14 14 ARG HA H 14 4.285 4.205 0.080 1
1 102 . 12 1 1 A 14 14 ARG CA C 14 57.406 58.852 -1.446 1
1 103 . 12 1 1 A 15 15 ASN H H 15 7.696 8.057 -0.361 1
1 104 . 12 1 1 A 15 15 ASN HA H 15 4.724 5.023 -0.299 1
1 109 . 12 1 1 A 16 16 GLU H H 16 8.884 9.034 -0.150 1
1 110 . 12 1 1 A 16 16 GLU HA H 16 3.998 3.860 0.138 1
1 115 . 12 1 1 A 16 16 GLU CA C 16 59.272 59.428 -0.156 1
1 116 . 12 1 1 A 17 17 LYS H H 17 8.121 8.244 -0.123 1
1 117 . 12 1 1 A 17 17 LYS HA H 17 4.035 3.925 0.110 1
1 124 . 12 1 1 A 17 17 LYS CA C 17 59.341 59.739 -0.398 1
1 125 . 12 1 1 A 18 18 GLU H H 18 8.173 7.661 0.512 1
1 126 . 12 1 1 A 18 18 GLU HA H 18 4.228 3.987 0.241 1
1 131 . 12 1 1 A 18 18 GLU CA C 18 59.143 59.124 0.019 1
1 132 . 12 1 1 A 19 19 LEU H H 19 7.383 7.309 0.074 1
1 133 . 12 1 1 A 19 19 LEU HA H 19 3.646 2.941 0.705 1
1 143 . 12 1 1 A 19 19 LEU CA C 19 57.594 56.827 0.767 1
1 144 . 12 1 1 A 20 20 ARG H H 20 8.353 8.082 0.271 1
1 145 . 12 1 1 A 20 20 ARG HA H 20 3.854 3.763 0.091 1
1 152 . 12 1 1 A 20 20 ARG CA C 20 59.831 59.567 0.264 1
1 153 . 12 1 1 A 21 21 ASP H H 21 8.481 7.562 0.919 1
1 154 . 12 1 1 A 21 21 ASP HA H 21 4.395 4.311 0.084 1
1 157 . 12 1 1 A 21 21 ASP CA C 21 57.083 56.739 0.344 1
1 158 . 12 1 1 A 22 22 PHE H H 22 7.803 8.182 -0.379 1
1 159 . 12 1 1 A 22 22 PHE HA H 22 4.315 4.005 0.310 1
1 166 . 12 1 1 A 23 23 ILE H H 23 8.248 7.954 0.294 1
1 167 . 12 1 1 A 23 23 ILE HA H 23 3.406 3.345 0.061 1
1 177 . 12 1 1 A 23 23 ILE CA C 23 64.236 65.010 -0.774 1
1 178 . 12 1 1 A 24 24 GLU H H 24 8.306 7.995 0.311 1
1 179 . 12 1 1 A 24 24 GLU HA H 24 3.912 3.965 -0.053 1
1 184 . 12 1 1 A 24 24 GLU CA C 24 59.215 59.265 -0.050 1
1 185 . 12 1 1 A 25 25 LYS H H 25 7.605 7.319 0.286 1
1 186 . 12 1 1 A 25 25 LYS HA H 25 4.055 3.938 0.117 1
1 195 . 12 1 1 A 25 25 LYS CA C 25 58.116 58.524 -0.408 1
1 1 . 13 1 1 A 2 2 GLN HA H 2 4.431 4.210 0.221 1
1 2 . 13 1 1 A 2 2 GLN CA C 2 55.356 55.916 -0.560 1
1 3 . 13 1 1 A 3 3 GLN H H 3 8.498 8.318 0.180 1
1 4 . 13 1 1 A 3 3 GLN HA H 3 4.389 3.718 0.671 1
1 9 . 13 1 1 A 3 3 GLN CA C 3 56.006 55.973 0.033 1
1 10 . 13 1 1 A 4 4 TYR H H 4 8.236 7.577 0.659 1
1 11 . 13 1 1 A 4 4 TYR HA H 4 4.599 4.666 -0.067 1
1 18 . 13 1 1 A 5 5 THR H H 5 7.881 8.940 -1.059 1
1 19 . 13 1 1 A 5 5 THR HA H 5 4.216 4.676 -0.460 1
1 24 . 13 1 1 A 5 5 THR CA C 5 62.394 61.982 0.412 1
1 52 . 13 1 1 A 9 9 LYS H H 9 8.044 8.702 -0.658 1
1 53 . 13 1 1 A 9 9 LYS HA H 9 4.143 4.478 -0.335 1
1 62 . 13 1 1 A 9 9 LYS CA C 9 56.732 56.874 -0.142 1
1 63 . 13 1 1 A 10 10 GLY H H 10 8.197 8.817 -0.620 1
1 64 . 13 1 1 A 10 10 GLY HA2 H 10 4.015 3.915 0.100 1
1 65 . 13 1 1 A 10 10 GLY HA3 H 10 3.854 3.917 -0.063 1
1 66 . 13 1 1 A 10 10 GLY CA C 10 45.352 45.358 -0.006 1
1 67 . 13 1 1 A 11 11 ARG H H 11 7.769 7.874 -0.105 1
1 68 . 13 1 1 A 11 11 ARG HA H 11 4.357 4.548 -0.191 1
1 76 . 13 1 1 A 11 11 ARG CA C 11 55.356 54.550 0.806 1
1 77 . 13 1 1 A 12 12 THR H H 12 7.891 8.421 -0.530 1
1 78 . 13 1 1 A 12 12 THR HA H 12 4.352 4.978 -0.626 1
1 83 . 13 1 1 A 12 12 THR CA C 12 61.230 59.437 1.793 1
1 84 . 13 1 1 A 13 13 PHE H H 13 8.194 8.294 -0.100 1
1 85 . 13 1 1 A 13 13 PHE HA H 13 4.806 4.824 -0.018 1
1 93 . 13 1 1 A 13 13 PHE CA C 13 56.923 56.193 0.730 1
1 94 . 13 1 1 A 14 14 ARG H H 14 9.143 8.917 0.226 1
1 95 . 13 1 1 A 14 14 ARG HA H 14 4.285 4.253 0.032 1
1 102 . 13 1 1 A 14 14 ARG CA C 14 57.406 58.856 -1.450 1
1 103 . 13 1 1 A 15 15 ASN H H 15 7.696 8.035 -0.339 1
1 104 . 13 1 1 A 15 15 ASN HA H 15 4.724 5.028 -0.304 1
1 109 . 13 1 1 A 16 16 GLU H H 16 8.884 9.154 -0.270 1
1 110 . 13 1 1 A 16 16 GLU HA H 16 3.998 4.132 -0.134 1
1 115 . 13 1 1 A 16 16 GLU CA C 16 59.272 59.116 0.156 1
1 116 . 13 1 1 A 17 17 LYS H H 17 8.121 8.269 -0.148 1
1 117 . 13 1 1 A 17 17 LYS HA H 17 4.035 3.973 0.062 1
1 124 . 13 1 1 A 17 17 LYS CA C 17 59.341 59.805 -0.464 1
1 125 . 13 1 1 A 18 18 GLU H H 18 8.173 7.675 0.498 1
1 126 . 13 1 1 A 18 18 GLU HA H 18 4.228 4.104 0.124 1
1 131 . 13 1 1 A 18 18 GLU CA C 18 59.143 58.855 0.288 1
1 132 . 13 1 1 A 19 19 LEU H H 19 7.383 7.373 0.010 1
1 133 . 13 1 1 A 19 19 LEU HA H 19 3.646 2.915 0.731 1
1 143 . 13 1 1 A 19 19 LEU CA C 19 57.594 56.943 0.651 1
1 144 . 13 1 1 A 20 20 ARG H H 20 8.353 8.089 0.264 1
1 145 . 13 1 1 A 20 20 ARG HA H 20 3.854 3.812 0.042 1
1 152 . 13 1 1 A 20 20 ARG CA C 20 59.831 59.611 0.220 1
1 153 . 13 1 1 A 21 21 ASP H H 21 8.481 7.670 0.811 1
1 154 . 13 1 1 A 21 21 ASP HA H 21 4.395 4.296 0.099 1
1 157 . 13 1 1 A 21 21 ASP CA C 21 57.083 57.020 0.063 1
1 158 . 13 1 1 A 22 22 PHE H H 22 7.803 8.245 -0.442 1
1 159 . 13 1 1 A 22 22 PHE HA H 22 4.315 4.011 0.304 1
1 166 . 13 1 1 A 23 23 ILE H H 23 8.248 7.984 0.264 1
1 167 . 13 1 1 A 23 23 ILE HA H 23 3.406 3.341 0.065 1
1 177 . 13 1 1 A 23 23 ILE CA C 23 64.236 64.960 -0.724 1
1 178 . 13 1 1 A 24 24 GLU H H 24 8.306 8.021 0.285 1
1 179 . 13 1 1 A 24 24 GLU HA H 24 3.912 3.975 -0.063 1
1 184 . 13 1 1 A 24 24 GLU CA C 24 59.215 59.268 -0.053 1
1 185 . 13 1 1 A 25 25 LYS H H 25 7.605 7.080 0.525 1
1 186 . 13 1 1 A 25 25 LYS HA H 25 4.055 3.942 0.113 1
1 195 . 13 1 1 A 25 25 LYS CA C 25 58.116 58.532 -0.416 1
1 1 . 14 1 1 A 2 2 GLN HA H 2 4.431 4.290 0.141 1
1 2 . 14 1 1 A 2 2 GLN CA C 2 55.356 56.060 -0.704 1
1 3 . 14 1 1 A 3 3 GLN H H 3 8.498 8.324 0.174 1
1 4 . 14 1 1 A 3 3 GLN HA H 3 4.389 4.008 0.381 1
1 9 . 14 1 1 A 3 3 GLN CA C 3 56.006 55.930 0.076 1
1 10 . 14 1 1 A 4 4 TYR H H 4 8.236 7.492 0.744 1
1 11 . 14 1 1 A 4 4 TYR HA H 4 4.599 4.638 -0.039 1
1 18 . 14 1 1 A 5 5 THR H H 5 7.881 8.831 -0.950 1
1 19 . 14 1 1 A 5 5 THR HA H 5 4.216 4.590 -0.374 1
1 24 . 14 1 1 A 5 5 THR CA C 5 62.394 61.999 0.395 1
1 52 . 14 1 1 A 9 9 LYS H H 9 8.044 8.694 -0.650 1
1 53 . 14 1 1 A 9 9 LYS HA H 9 4.143 4.131 0.012 1
1 62 . 14 1 1 A 9 9 LYS CA C 9 56.732 57.703 -0.971 1
1 63 . 14 1 1 A 10 10 GLY H H 10 8.197 8.773 -0.576 1
1 64 . 14 1 1 A 10 10 GLY HA2 H 10 4.015 3.954 0.061 1
1 65 . 14 1 1 A 10 10 GLY HA3 H 10 3.854 3.956 -0.102 1
1 66 . 14 1 1 A 10 10 GLY CA C 10 45.352 45.245 0.107 1
1 67 . 14 1 1 A 11 11 ARG H H 11 7.769 7.929 -0.160 1
1 68 . 14 1 1 A 11 11 ARG HA H 11 4.357 4.601 -0.244 1
1 76 . 14 1 1 A 11 11 ARG CA C 11 55.356 54.623 0.733 1
1 77 . 14 1 1 A 12 12 THR H H 12 7.891 8.611 -0.720 1
1 78 . 14 1 1 A 12 12 THR HA H 12 4.352 5.291 -0.939 1
1 83 . 14 1 1 A 12 12 THR CA C 12 61.230 59.884 1.346 1
1 84 . 14 1 1 A 13 13 PHE H H 13 8.194 9.049 -0.855 1
1 85 . 14 1 1 A 13 13 PHE HA H 13 4.806 4.945 -0.139 1
1 93 . 14 1 1 A 13 13 PHE CA C 13 56.923 56.377 0.546 1
1 94 . 14 1 1 A 14 14 ARG H H 14 9.143 8.968 0.175 1
1 95 . 14 1 1 A 14 14 ARG HA H 14 4.285 4.193 0.092 1
1 102 . 14 1 1 A 14 14 ARG CA C 14 57.406 58.934 -1.528 1
1 103 . 14 1 1 A 15 15 ASN H H 15 7.696 8.061 -0.365 1
1 104 . 14 1 1 A 15 15 ASN HA H 15 4.724 5.031 -0.307 1
1 109 . 14 1 1 A 16 16 GLU H H 16 8.884 9.002 -0.118 1
1 110 . 14 1 1 A 16 16 GLU HA H 16 3.998 3.786 0.212 1
1 115 . 14 1 1 A 16 16 GLU CA C 16 59.272 59.410 -0.138 1
1 116 . 14 1 1 A 17 17 LYS H H 17 8.121 8.237 -0.116 1
1 117 . 14 1 1 A 17 17 LYS HA H 17 4.035 3.920 0.115 1
1 124 . 14 1 1 A 17 17 LYS CA C 17 59.341 59.732 -0.391 1
1 125 . 14 1 1 A 18 18 GLU H H 18 8.173 7.699 0.474 1
1 126 . 14 1 1 A 18 18 GLU HA H 18 4.228 3.993 0.235 1
1 131 . 14 1 1 A 18 18 GLU CA C 18 59.143 59.132 0.011 1
1 132 . 14 1 1 A 19 19 LEU H H 19 7.383 7.275 0.108 1
1 133 . 14 1 1 A 19 19 LEU HA H 19 3.646 2.934 0.712 1
1 143 . 14 1 1 A 19 19 LEU CA C 19 57.594 56.757 0.837 1
1 144 . 14 1 1 A 20 20 ARG H H 20 8.353 8.056 0.297 1
1 145 . 14 1 1 A 20 20 ARG HA H 20 3.854 3.753 0.101 1
1 152 . 14 1 1 A 20 20 ARG CA C 20 59.831 59.597 0.234 1
1 153 . 14 1 1 A 21 21 ASP H H 21 8.481 7.634 0.847 1
1 154 . 14 1 1 A 21 21 ASP HA H 21 4.395 4.309 0.086 1
1 157 . 14 1 1 A 21 21 ASP CA C 21 57.083 56.736 0.347 1
1 158 . 14 1 1 A 22 22 PHE H H 22 7.803 8.195 -0.392 1
1 159 . 14 1 1 A 22 22 PHE HA H 22 4.315 4.006 0.309 1
1 166 . 14 1 1 A 23 23 ILE H H 23 8.248 8.001 0.247 1
1 167 . 14 1 1 A 23 23 ILE HA H 23 3.406 3.457 -0.051 1
1 177 . 14 1 1 A 23 23 ILE CA C 23 64.236 64.879 -0.643 1
1 178 . 14 1 1 A 24 24 GLU H H 24 8.306 8.062 0.244 1
1 179 . 14 1 1 A 24 24 GLU HA H 24 3.912 3.957 -0.045 1
1 184 . 14 1 1 A 24 24 GLU CA C 24 59.215 59.304 -0.089 1
1 185 . 14 1 1 A 25 25 LYS H H 25 7.605 7.305 0.300 1
1 186 . 14 1 1 A 25 25 LYS HA H 25 4.055 3.940 0.115 1
1 195 . 14 1 1 A 25 25 LYS CA C 25 58.116 58.464 -0.348 1
1 1 . 15 1 1 A 2 2 GLN HA H 2 4.431 4.312 0.119 1
1 2 . 15 1 1 A 2 2 GLN CA C 2 55.356 55.736 -0.380 1
1 3 . 15 1 1 A 3 3 GLN H H 3 8.498 8.303 0.195 1
1 4 . 15 1 1 A 3 3 GLN HA H 3 4.389 3.901 0.488 1
1 9 . 15 1 1 A 3 3 GLN CA C 3 56.006 55.898 0.108 1
1 10 . 15 1 1 A 4 4 TYR H H 4 8.236 7.652 0.584 1
1 11 . 15 1 1 A 4 4 TYR HA H 4 4.599 4.436 0.163 1
1 18 . 15 1 1 A 5 5 THR H H 5 7.881 8.865 -0.984 1
1 19 . 15 1 1 A 5 5 THR HA H 5 4.216 4.600 -0.384 1
1 24 . 15 1 1 A 5 5 THR CA C 5 62.394 62.010 0.384 1
1 52 . 15 1 1 A 9 9 LYS H H 9 8.044 8.680 -0.636 1
1 53 . 15 1 1 A 9 9 LYS HA H 9 4.143 4.735 -0.592 1
1 62 . 15 1 1 A 9 9 LYS CA C 9 56.732 55.076 1.656 1
1 63 . 15 1 1 A 10 10 GLY H H 10 8.197 8.844 -0.647 1
1 64 . 15 1 1 A 10 10 GLY HA2 H 10 4.015 3.969 0.046 1
1 65 . 15 1 1 A 10 10 GLY HA3 H 10 3.854 3.971 -0.117 1
1 66 . 15 1 1 A 10 10 GLY CA C 10 45.352 45.315 0.037 1
1 67 . 15 1 1 A 11 11 ARG H H 11 7.769 7.981 -0.212 1
1 68 . 15 1 1 A 11 11 ARG HA H 11 4.357 4.671 -0.314 1
1 76 . 15 1 1 A 11 11 ARG CA C 11 55.356 54.696 0.660 1
1 77 . 15 1 1 A 12 12 THR H H 12 7.891 8.856 -0.965 1
1 78 . 15 1 1 A 12 12 THR HA H 12 4.352 5.269 -0.917 1
1 83 . 15 1 1 A 12 12 THR CA C 12 61.230 60.201 1.029 1
1 84 . 15 1 1 A 13 13 PHE H H 13 8.194 9.054 -0.860 1
1 85 . 15 1 1 A 13 13 PHE HA H 13 4.806 5.046 -0.240 1
1 93 . 15 1 1 A 13 13 PHE CA C 13 56.923 56.371 0.552 1
1 94 . 15 1 1 A 14 14 ARG H H 14 9.143 8.695 0.448 1
1 95 . 15 1 1 A 14 14 ARG HA H 14 4.285 4.495 -0.210 1
1 102 . 15 1 1 A 14 14 ARG CA C 14 57.406 57.529 -0.123 1
1 103 . 15 1 1 A 15 15 ASN H H 15 7.696 8.134 -0.438 1
1 104 . 15 1 1 A 15 15 ASN HA H 15 4.724 5.023 -0.299 1
1 109 . 15 1 1 A 16 16 GLU H H 16 8.884 9.012 -0.128 1
1 110 . 15 1 1 A 16 16 GLU HA H 16 3.998 3.886 0.112 1
1 115 . 15 1 1 A 16 16 GLU CA C 16 59.272 59.334 -0.062 1
1 116 . 15 1 1 A 17 17 LYS H H 17 8.121 8.296 -0.175 1
1 117 . 15 1 1 A 17 17 LYS HA H 17 4.035 4.006 0.029 1
1 124 . 15 1 1 A 17 17 LYS CA C 17 59.341 59.826 -0.485 1
1 125 . 15 1 1 A 18 18 GLU H H 18 8.173 7.653 0.520 1
1 126 . 15 1 1 A 18 18 GLU HA H 18 4.228 4.112 0.116 1
1 131 . 15 1 1 A 18 18 GLU CA C 18 59.143 59.322 -0.179 1
1 132 . 15 1 1 A 19 19 LEU H H 19 7.383 7.609 -0.226 1
1 133 . 15 1 1 A 19 19 LEU HA H 19 3.646 3.371 0.275 1
1 143 . 15 1 1 A 19 19 LEU CA C 19 57.594 57.042 0.552 1
1 144 . 15 1 1 A 20 20 ARG H H 20 8.353 8.163 0.190 1
1 145 . 15 1 1 A 20 20 ARG HA H 20 3.854 3.785 0.069 1
1 152 . 15 1 1 A 20 20 ARG CA C 20 59.831 59.597 0.234 1
1 153 . 15 1 1 A 21 21 ASP H H 21 8.481 7.604 0.877 1
1 154 . 15 1 1 A 21 21 ASP HA H 21 4.395 4.347 0.048 1
1 157 . 15 1 1 A 21 21 ASP CA C 21 57.083 56.785 0.298 1
1 158 . 15 1 1 A 22 22 PHE H H 22 7.803 8.406 -0.603 1
1 159 . 15 1 1 A 22 22 PHE HA H 22 4.315 4.059 0.256 1
1 166 . 15 1 1 A 23 23 ILE H H 23 8.248 7.938 0.310 1
1 167 . 15 1 1 A 23 23 ILE HA H 23 3.406 3.307 0.099 1
1 177 . 15 1 1 A 23 23 ILE CA C 23 64.236 64.822 -0.586 1
1 178 . 15 1 1 A 24 24 GLU H H 24 8.306 8.070 0.236 1
1 179 . 15 1 1 A 24 24 GLU HA H 24 3.912 3.962 -0.050 1
1 184 . 15 1 1 A 24 24 GLU CA C 24 59.215 59.305 -0.090 1
1 185 . 15 1 1 A 25 25 LYS H H 25 7.605 7.333 0.272 1
1 186 . 15 1 1 A 25 25 LYS HA H 25 4.055 3.963 0.092 1
1 195 . 15 1 1 A 25 25 LYS CA C 25 58.116 58.513 -0.397 1
1 1 . 16 1 1 A 2 2 GLN HA H 2 4.431 4.314 0.117 1
1 2 . 16 1 1 A 2 2 GLN CA C 2 55.356 56.478 -1.122 1
1 3 . 16 1 1 A 3 3 GLN H H 3 8.498 8.474 0.024 1
1 4 . 16 1 1 A 3 3 GLN HA H 3 4.389 4.000 0.389 1
1 9 . 16 1 1 A 3 3 GLN CA C 3 56.006 55.944 0.062 1
1 10 . 16 1 1 A 4 4 TYR H H 4 8.236 7.552 0.684 1
1 11 . 16 1 1 A 4 4 TYR HA H 4 4.599 4.541 0.058 1
1 18 . 16 1 1 A 5 5 THR H H 5 7.881 8.833 -0.952 1
1 19 . 16 1 1 A 5 5 THR HA H 5 4.216 4.592 -0.376 1
1 24 . 16 1 1 A 5 5 THR CA C 5 62.394 62.001 0.393 1
1 52 . 16 1 1 A 9 9 LYS H H 9 8.044 8.708 -0.664 1
1 53 . 16 1 1 A 9 9 LYS HA H 9 4.143 4.519 -0.376 1
1 62 . 16 1 1 A 9 9 LYS CA C 9 56.732 56.858 -0.126 1
1 63 . 16 1 1 A 10 10 GLY H H 10 8.197 8.849 -0.652 1
1 64 . 16 1 1 A 10 10 GLY HA2 H 10 4.015 3.945 0.070 1
1 65 . 16 1 1 A 10 10 GLY HA3 H 10 3.854 3.948 -0.094 1
1 66 . 16 1 1 A 10 10 GLY CA C 10 45.352 45.511 -0.159 1
1 67 . 16 1 1 A 11 11 ARG H H 11 7.769 7.958 -0.189 1
1 68 . 16 1 1 A 11 11 ARG HA H 11 4.357 4.665 -0.308 1
1 76 . 16 1 1 A 11 11 ARG CA C 11 55.356 54.640 0.716 1
1 77 . 16 1 1 A 12 12 THR H H 12 7.891 8.712 -0.821 1
1 78 . 16 1 1 A 12 12 THR HA H 12 4.352 5.321 -0.969 1
1 83 . 16 1 1 A 12 12 THR CA C 12 61.230 60.065 1.165 1
1 84 . 16 1 1 A 13 13 PHE H H 13 8.194 9.124 -0.930 1
1 85 . 16 1 1 A 13 13 PHE HA H 13 4.806 5.030 -0.224 1
1 93 . 16 1 1 A 13 13 PHE CA C 13 56.923 56.442 0.481 1
1 94 . 16 1 1 A 14 14 ARG H H 14 9.143 8.698 0.445 1
1 95 . 16 1 1 A 14 14 ARG HA H 14 4.285 4.396 -0.111 1
1 102 . 16 1 1 A 14 14 ARG CA C 14 57.406 57.885 -0.479 1
1 103 . 16 1 1 A 15 15 ASN H H 15 7.696 8.140 -0.444 1
1 104 . 16 1 1 A 15 15 ASN HA H 15 4.724 5.014 -0.290 1
1 109 . 16 1 1 A 16 16 GLU H H 16 8.884 8.975 -0.091 1
1 110 . 16 1 1 A 16 16 GLU HA H 16 3.998 3.894 0.104 1
1 115 . 16 1 1 A 16 16 GLU CA C 16 59.272 59.367 -0.095 1
1 116 . 16 1 1 A 17 17 LYS H H 17 8.121 8.247 -0.126 1
1 117 . 16 1 1 A 17 17 LYS HA H 17 4.035 3.972 0.063 1
1 124 . 16 1 1 A 17 17 LYS CA C 17 59.341 59.848 -0.507 1
1 125 . 16 1 1 A 18 18 GLU H H 18 8.173 8.070 0.103 1
1 126 . 16 1 1 A 18 18 GLU HA H 18 4.228 4.071 0.157 1
1 131 . 16 1 1 A 18 18 GLU CA C 18 59.143 59.223 -0.080 1
1 132 . 16 1 1 A 19 19 LEU H H 19 7.383 7.575 -0.192 1
1 133 . 16 1 1 A 19 19 LEU HA H 19 3.646 3.223 0.423 1
1 143 . 16 1 1 A 19 19 LEU CA C 19 57.594 56.981 0.613 1
1 144 . 16 1 1 A 20 20 ARG H H 20 8.353 8.449 -0.096 1
1 145 . 16 1 1 A 20 20 ARG HA H 20 3.854 3.819 0.035 1
1 152 . 16 1 1 A 20 20 ARG CA C 20 59.831 59.399 0.432 1
1 153 . 16 1 1 A 21 21 ASP H H 21 8.481 7.586 0.895 1
1 154 . 16 1 1 A 21 21 ASP HA H 21 4.395 4.328 0.067 1
1 157 . 16 1 1 A 21 21 ASP CA C 21 57.083 57.101 -0.018 1
1 158 . 16 1 1 A 22 22 PHE H H 22 7.803 8.396 -0.593 1
1 159 . 16 1 1 A 22 22 PHE HA H 22 4.315 4.071 0.244 1
1 166 . 16 1 1 A 23 23 ILE H H 23 8.248 7.930 0.318 1
1 167 . 16 1 1 A 23 23 ILE HA H 23 3.406 3.367 0.039 1
1 177 . 16 1 1 A 23 23 ILE CA C 23 64.236 64.744 -0.508 1
1 178 . 16 1 1 A 24 24 GLU H H 24 8.306 8.118 0.188 1
1 179 . 16 1 1 A 24 24 GLU HA H 24 3.912 3.970 -0.058 1
1 184 . 16 1 1 A 24 24 GLU CA C 24 59.215 59.327 -0.112 1
1 185 . 16 1 1 A 25 25 LYS H H 25 7.605 7.079 0.526 1
1 186 . 16 1 1 A 25 25 LYS HA H 25 4.055 3.977 0.078 1
1 195 . 16 1 1 A 25 25 LYS CA C 25 58.116 58.523 -0.407 1
1 1 . 17 1 1 A 2 2 GLN HA H 2 4.431 4.233 0.198 1
1 2 . 17 1 1 A 2 2 GLN CA C 2 55.356 56.365 -1.009 1
1 3 . 17 1 1 A 3 3 GLN H H 3 8.498 8.275 0.223 1
1 4 . 17 1 1 A 3 3 GLN HA H 3 4.389 4.001 0.388 1
1 9 . 17 1 1 A 3 3 GLN CA C 3 56.006 55.835 0.171 1
1 10 . 17 1 1 A 4 4 TYR H H 4 8.236 7.546 0.690 1
1 11 . 17 1 1 A 4 4 TYR HA H 4 4.599 4.673 -0.074 1
1 18 . 17 1 1 A 5 5 THR H H 5 7.881 8.942 -1.061 1
1 19 . 17 1 1 A 5 5 THR HA H 5 4.216 4.676 -0.460 1
1 24 . 17 1 1 A 5 5 THR CA C 5 62.394 62.004 0.390 1
1 52 . 17 1 1 A 9 9 LYS H H 9 8.044 8.625 -0.581 1
1 53 . 17 1 1 A 9 9 LYS HA H 9 4.143 4.450 -0.307 1
1 62 . 17 1 1 A 9 9 LYS CA C 9 56.732 55.904 0.828 1
1 63 . 17 1 1 A 10 10 GLY H H 10 8.197 8.840 -0.643 1
1 64 . 17 1 1 A 10 10 GLY HA2 H 10 4.015 3.914 0.101 1
1 65 . 17 1 1 A 10 10 GLY HA3 H 10 3.854 3.916 -0.062 1
1 66 . 17 1 1 A 10 10 GLY CA C 10 45.352 45.524 -0.172 1
1 67 . 17 1 1 A 11 11 ARG H H 11 7.769 7.874 -0.105 1
1 68 . 17 1 1 A 11 11 ARG HA H 11 4.357 4.543 -0.186 1
1 76 . 17 1 1 A 11 11 ARG CA C 11 55.356 54.502 0.854 1
1 77 . 17 1 1 A 12 12 THR H H 12 7.891 8.415 -0.524 1
1 78 . 17 1 1 A 12 12 THR HA H 12 4.352 5.023 -0.671 1
1 83 . 17 1 1 A 12 12 THR CA C 12 61.230 59.414 1.816 1
1 84 . 17 1 1 A 13 13 PHE H H 13 8.194 8.407 -0.213 1
1 85 . 17 1 1 A 13 13 PHE HA H 13 4.806 4.820 -0.014 1
1 93 . 17 1 1 A 13 13 PHE CA C 13 56.923 56.176 0.747 1
1 94 . 17 1 1 A 14 14 ARG H H 14 9.143 8.665 0.478 1
1 95 . 17 1 1 A 14 14 ARG HA H 14 4.285 4.279 0.006 1
1 102 . 17 1 1 A 14 14 ARG CA C 14 57.406 58.974 -1.568 1
1 103 . 17 1 1 A 15 15 ASN H H 15 7.696 8.033 -0.337 1
1 104 . 17 1 1 A 15 15 ASN HA H 15 4.724 5.019 -0.295 1
1 109 . 17 1 1 A 16 16 GLU H H 16 8.884 8.998 -0.114 1
1 110 . 17 1 1 A 16 16 GLU HA H 16 3.998 4.012 -0.014 1
1 115 . 17 1 1 A 16 16 GLU CA C 16 59.272 59.533 -0.261 1
1 116 . 17 1 1 A 17 17 LYS H H 17 8.121 8.254 -0.133 1
1 117 . 17 1 1 A 17 17 LYS HA H 17 4.035 3.959 0.076 1
1 124 . 17 1 1 A 17 17 LYS CA C 17 59.341 59.733 -0.392 1
1 125 . 17 1 1 A 18 18 GLU H H 18 8.173 7.646 0.527 1
1 126 . 17 1 1 A 18 18 GLU HA H 18 4.228 3.986 0.242 1
1 131 . 17 1 1 A 18 18 GLU CA C 18 59.143 59.126 0.017 1
1 132 . 17 1 1 A 19 19 LEU H H 19 7.383 7.339 0.044 1
1 133 . 17 1 1 A 19 19 LEU HA H 19 3.646 2.937 0.709 1
1 143 . 17 1 1 A 19 19 LEU CA C 19 57.594 56.876 0.718 1
1 144 . 17 1 1 A 20 20 ARG H H 20 8.353 8.133 0.220 1
1 145 . 17 1 1 A 20 20 ARG HA H 20 3.854 3.806 0.048 1
1 152 . 17 1 1 A 20 20 ARG CA C 20 59.831 59.596 0.235 1
1 153 . 17 1 1 A 21 21 ASP H H 21 8.481 7.590 0.891 1
1 154 . 17 1 1 A 21 21 ASP HA H 21 4.395 4.319 0.076 1
1 157 . 17 1 1 A 21 21 ASP CA C 21 57.083 56.747 0.336 1
1 158 . 17 1 1 A 22 22 PHE H H 22 7.803 8.208 -0.405 1
1 159 . 17 1 1 A 22 22 PHE HA H 22 4.315 4.009 0.306 1
1 166 . 17 1 1 A 23 23 ILE H H 23 8.248 7.932 0.316 1
1 167 . 17 1 1 A 23 23 ILE HA H 23 3.406 3.319 0.087 1
1 177 . 17 1 1 A 23 23 ILE CA C 23 64.236 65.023 -0.787 1
1 178 . 17 1 1 A 24 24 GLU H H 24 8.306 7.983 0.323 1
1 179 . 17 1 1 A 24 24 GLU HA H 24 3.912 3.959 -0.047 1
1 184 . 17 1 1 A 24 24 GLU CA C 24 59.215 59.271 -0.056 1
1 185 . 17 1 1 A 25 25 LYS H H 25 7.605 7.406 0.199 1
1 186 . 17 1 1 A 25 25 LYS HA H 25 4.055 3.922 0.133 1
1 195 . 17 1 1 A 25 25 LYS CA C 25 58.116 58.518 -0.402 1
1 1 . 18 1 1 A 2 2 GLN HA H 2 4.431 4.317 0.114 1
1 2 . 18 1 1 A 2 2 GLN CA C 2 55.356 56.115 -0.759 1
1 3 . 18 1 1 A 3 3 GLN H H 3 8.498 8.227 0.271 1
1 4 . 18 1 1 A 3 3 GLN HA H 3 4.389 3.967 0.422 1
1 9 . 18 1 1 A 3 3 GLN CA C 3 56.006 55.636 0.370 1
1 10 . 18 1 1 A 4 4 TYR H H 4 8.236 7.673 0.563 1
1 11 . 18 1 1 A 4 4 TYR HA H 4 4.599 4.550 0.049 1
1 18 . 18 1 1 A 5 5 THR H H 5 7.881 8.842 -0.961 1
1 19 . 18 1 1 A 5 5 THR HA H 5 4.216 4.583 -0.367 1
1 24 . 18 1 1 A 5 5 THR CA C 5 62.394 62.019 0.375 1
1 52 . 18 1 1 A 9 9 LYS H H 9 8.044 8.603 -0.559 1
1 53 . 18 1 1 A 9 9 LYS HA H 9 4.143 4.248 -0.105 1
1 62 . 18 1 1 A 9 9 LYS CA C 9 56.732 57.368 -0.636 1
1 63 . 18 1 1 A 10 10 GLY H H 10 8.197 8.823 -0.626 1
1 64 . 18 1 1 A 10 10 GLY HA2 H 10 4.015 3.926 0.089 1
1 65 . 18 1 1 A 10 10 GLY HA3 H 10 3.854 3.928 -0.074 1
1 66 . 18 1 1 A 10 10 GLY CA C 10 45.352 45.469 -0.117 1
1 67 . 18 1 1 A 11 11 ARG H H 11 7.769 7.761 0.008 1
1 68 . 18 1 1 A 11 11 ARG HA H 11 4.357 4.216 0.141 1
1 76 . 18 1 1 A 11 11 ARG CA C 11 55.356 55.104 0.252 1
1 77 . 18 1 1 A 12 12 THR H H 12 7.891 8.484 -0.593 1
1 78 . 18 1 1 A 12 12 THR HA H 12 4.352 5.478 -1.126 1
1 83 . 18 1 1 A 12 12 THR CA C 12 61.230 59.619 1.611 1
1 84 . 18 1 1 A 13 13 PHE H H 13 8.194 8.927 -0.733 1
1 85 . 18 1 1 A 13 13 PHE HA H 13 4.806 4.997 -0.191 1
1 93 . 18 1 1 A 13 13 PHE CA C 13 56.923 56.205 0.718 1
1 94 . 18 1 1 A 14 14 ARG H H 14 9.143 8.977 0.166 1
1 95 . 18 1 1 A 14 14 ARG HA H 14 4.285 4.193 0.092 1
1 102 . 18 1 1 A 14 14 ARG CA C 14 57.406 58.957 -1.551 1
1 103 . 18 1 1 A 15 15 ASN H H 15 7.696 8.062 -0.366 1
1 104 . 18 1 1 A 15 15 ASN HA H 15 4.724 5.013 -0.289 1
1 109 . 18 1 1 A 16 16 GLU H H 16 8.884 9.110 -0.226 1
1 110 . 18 1 1 A 16 16 GLU HA H 16 3.998 3.997 0.001 1
1 115 . 18 1 1 A 16 16 GLU CA C 16 59.272 58.970 0.302 1
1 116 . 18 1 1 A 17 17 LYS H H 17 8.121 8.223 -0.102 1
1 117 . 18 1 1 A 17 17 LYS HA H 17 4.035 3.937 0.098 1
1 124 . 18 1 1 A 17 17 LYS CA C 17 59.341 59.732 -0.391 1
1 125 . 18 1 1 A 18 18 GLU H H 18 8.173 7.732 0.441 1
1 126 . 18 1 1 A 18 18 GLU HA H 18 4.228 3.993 0.235 1
1 131 . 18 1 1 A 18 18 GLU CA C 18 59.143 59.095 0.048 1
1 132 . 18 1 1 A 19 19 LEU H H 19 7.383 7.284 0.099 1
1 133 . 18 1 1 A 19 19 LEU HA H 19 3.646 2.986 0.660 1
1 143 . 18 1 1 A 19 19 LEU CA C 19 57.594 56.799 0.795 1
1 144 . 18 1 1 A 20 20 ARG H H 20 8.353 8.063 0.290 1
1 145 . 18 1 1 A 20 20 ARG HA H 20 3.854 3.749 0.105 1
1 152 . 18 1 1 A 20 20 ARG CA C 20 59.831 59.614 0.217 1
1 153 . 18 1 1 A 21 21 ASP H H 21 8.481 7.633 0.848 1
1 154 . 18 1 1 A 21 21 ASP HA H 21 4.395 4.290 0.105 1
1 157 . 18 1 1 A 21 21 ASP CA C 21 57.083 57.014 0.069 1
1 158 . 18 1 1 A 22 22 PHE H H 22 7.803 8.243 -0.440 1
1 159 . 18 1 1 A 22 22 PHE HA H 22 4.315 4.015 0.300 1
1 166 . 18 1 1 A 23 23 ILE H H 23 8.248 7.997 0.251 1
1 167 . 18 1 1 A 23 23 ILE HA H 23 3.406 3.355 0.051 1
1 177 . 18 1 1 A 23 23 ILE CA C 23 64.236 64.871 -0.635 1
1 178 . 18 1 1 A 24 24 GLU H H 24 8.306 8.021 0.285 1
1 179 . 18 1 1 A 24 24 GLU HA H 24 3.912 3.973 -0.061 1
1 184 . 18 1 1 A 24 24 GLU CA C 24 59.215 59.264 -0.049 1
1 185 . 18 1 1 A 25 25 LYS H H 25 7.605 7.082 0.523 1
1 186 . 18 1 1 A 25 25 LYS HA H 25 4.055 3.943 0.112 1
1 195 . 18 1 1 A 25 25 LYS CA C 25 58.116 58.530 -0.414 1
1 1 . 19 1 1 A 2 2 GLN HA H 2 4.431 4.270 0.161 1
1 2 . 19 1 1 A 2 2 GLN CA C 2 55.356 55.734 -0.378 1
1 3 . 19 1 1 A 3 3 GLN H H 3 8.498 8.356 0.142 1
1 4 . 19 1 1 A 3 3 GLN HA H 3 4.389 3.858 0.531 1
1 9 . 19 1 1 A 3 3 GLN CA C 3 56.006 55.914 0.092 1
1 10 . 19 1 1 A 4 4 TYR H H 4 8.236 7.436 0.800 1
1 11 . 19 1 1 A 4 4 TYR HA H 4 4.599 4.583 0.016 1
1 18 . 19 1 1 A 5 5 THR H H 5 7.881 8.860 -0.979 1
1 19 . 19 1 1 A 5 5 THR HA H 5 4.216 4.596 -0.380 1
1 24 . 19 1 1 A 5 5 THR CA C 5 62.394 61.993 0.401 1
1 52 . 19 1 1 A 9 9 LYS H H 9 8.044 8.715 -0.671 1
1 53 . 19 1 1 A 9 9 LYS HA H 9 4.143 4.505 -0.362 1
1 62 . 19 1 1 A 9 9 LYS CA C 9 56.732 56.974 -0.242 1
1 63 . 19 1 1 A 10 10 GLY H H 10 8.197 8.833 -0.636 1
1 64 . 19 1 1 A 10 10 GLY HA2 H 10 4.015 3.949 0.066 1
1 65 . 19 1 1 A 10 10 GLY HA3 H 10 3.854 3.954 -0.100 1
1 66 . 19 1 1 A 10 10 GLY CA C 10 45.352 45.304 0.048 1
1 67 . 19 1 1 A 11 11 ARG H H 11 7.769 7.829 -0.060 1
1 68 . 19 1 1 A 11 11 ARG HA H 11 4.357 4.684 -0.327 1
1 76 . 19 1 1 A 11 11 ARG CA C 11 55.356 54.811 0.545 1
1 77 . 19 1 1 A 12 12 THR H H 12 7.891 8.631 -0.740 1
1 78 . 19 1 1 A 12 12 THR HA H 12 4.352 5.233 -0.881 1
1 83 . 19 1 1 A 12 12 THR CA C 12 61.230 59.844 1.386 1
1 84 . 19 1 1 A 13 13 PHE H H 13 8.194 8.977 -0.783 1
1 85 . 19 1 1 A 13 13 PHE HA H 13 4.806 5.017 -0.211 1
1 93 . 19 1 1 A 13 13 PHE CA C 13 56.923 56.261 0.662 1
1 94 . 19 1 1 A 14 14 ARG H H 14 9.143 8.967 0.176 1
1 95 . 19 1 1 A 14 14 ARG HA H 14 4.285 4.221 0.064 1
1 102 . 19 1 1 A 14 14 ARG CA C 14 57.406 58.465 -1.059 1
1 103 . 19 1 1 A 15 15 ASN H H 15 7.696 8.217 -0.521 1
1 104 . 19 1 1 A 15 15 ASN HA H 15 4.724 5.085 -0.361 1
1 109 . 19 1 1 A 16 16 GLU H H 16 8.884 8.938 -0.054 1
1 110 . 19 1 1 A 16 16 GLU HA H 16 3.998 3.892 0.106 1
1 115 . 19 1 1 A 16 16 GLU CA C 16 59.272 59.167 0.105 1
1 116 . 19 1 1 A 17 17 LYS H H 17 8.121 7.830 0.291 1
1 117 . 19 1 1 A 17 17 LYS HA H 17 4.035 4.019 0.016 1
1 124 . 19 1 1 A 17 17 LYS CA C 17 59.341 59.856 -0.515 1
1 125 . 19 1 1 A 18 18 GLU H H 18 8.173 7.890 0.283 1
1 126 . 19 1 1 A 18 18 GLU HA H 18 4.228 3.999 0.229 1
1 131 . 19 1 1 A 18 18 GLU CA C 18 59.143 58.668 0.475 1
1 132 . 19 1 1 A 19 19 LEU H H 19 7.383 7.204 0.179 1
1 133 . 19 1 1 A 19 19 LEU HA H 19 3.646 2.944 0.702 1
1 143 . 19 1 1 A 19 19 LEU CA C 19 57.594 56.603 0.991 1
1 144 . 19 1 1 A 20 20 ARG H H 20 8.353 8.080 0.273 1
1 145 . 19 1 1 A 20 20 ARG HA H 20 3.854 3.767 0.087 1
1 152 . 19 1 1 A 20 20 ARG CA C 20 59.831 59.571 0.260 1
1 153 . 19 1 1 A 21 21 ASP H H 21 8.481 7.942 0.539 1
1 154 . 19 1 1 A 21 21 ASP HA H 21 4.395 4.324 0.071 1
1 157 . 19 1 1 A 21 21 ASP CA C 21 57.083 57.048 0.035 1
1 158 . 19 1 1 A 22 22 PHE H H 22 7.803 8.150 -0.347 1
1 159 . 19 1 1 A 22 22 PHE HA H 22 4.315 4.001 0.314 1
1 166 . 19 1 1 A 23 23 ILE H H 23 8.248 7.958 0.290 1
1 167 . 19 1 1 A 23 23 ILE HA H 23 3.406 3.346 0.060 1
1 177 . 19 1 1 A 23 23 ILE CA C 23 64.236 64.807 -0.571 1
1 178 . 19 1 1 A 24 24 GLU H H 24 8.306 8.034 0.272 1
1 179 . 19 1 1 A 24 24 GLU HA H 24 3.912 3.968 -0.056 1
1 184 . 19 1 1 A 24 24 GLU CA C 24 59.215 59.277 -0.062 1
1 185 . 19 1 1 A 25 25 LYS H H 25 7.605 7.073 0.532 1
1 186 . 19 1 1 A 25 25 LYS HA H 25 4.055 3.963 0.092 1
1 195 . 19 1 1 A 25 25 LYS CA C 25 58.116 58.537 -0.421 1
1 1 . 20 1 1 A 2 2 GLN HA H 2 4.431 4.210 0.221 1
1 2 . 20 1 1 A 2 2 GLN CA C 2 55.356 55.842 -0.486 1
1 3 . 20 1 1 A 3 3 GLN H H 3 8.498 8.349 0.149 1
1 4 . 20 1 1 A 3 3 GLN HA H 3 4.389 3.922 0.467 1
1 9 . 20 1 1 A 3 3 GLN CA C 3 56.006 55.949 0.057 1
1 10 . 20 1 1 A 4 4 TYR H H 4 8.236 7.659 0.577 1
1 11 . 20 1 1 A 4 4 TYR HA H 4 4.599 4.629 -0.030 1
1 18 . 20 1 1 A 5 5 THR H H 5 7.881 8.939 -1.058 1
1 19 . 20 1 1 A 5 5 THR HA H 5 4.216 4.675 -0.459 1
1 24 . 20 1 1 A 5 5 THR CA C 5 62.394 61.955 0.439 1
1 52 . 20 1 1 A 9 9 LYS H H 9 8.044 8.724 -0.680 1
1 53 . 20 1 1 A 9 9 LYS HA H 9 4.143 4.547 -0.404 1
1 62 . 20 1 1 A 9 9 LYS CA C 9 56.732 56.644 0.088 1
1 63 . 20 1 1 A 10 10 GLY H H 10 8.197 8.841 -0.644 1
1 64 . 20 1 1 A 10 10 GLY HA2 H 10 4.015 3.939 0.076 1
1 65 . 20 1 1 A 10 10 GLY HA3 H 10 3.854 3.940 -0.086 1
1 66 . 20 1 1 A 10 10 GLY CA C 10 45.352 45.386 -0.034 1
1 67 . 20 1 1 A 11 11 ARG H H 11 7.769 7.928 -0.159 1
1 68 . 20 1 1 A 11 11 ARG HA H 11 4.357 4.622 -0.265 1
1 76 . 20 1 1 A 11 11 ARG CA C 11 55.356 54.593 0.763 1
1 77 . 20 1 1 A 12 12 THR H H 12 7.891 8.644 -0.753 1
1 78 . 20 1 1 A 12 12 THR HA H 12 4.352 5.034 -0.682 1
1 83 . 20 1 1 A 12 12 THR CA C 12 61.230 59.857 1.373 1
1 84 . 20 1 1 A 13 13 PHE H H 13 8.194 8.229 -0.035 1
1 85 . 20 1 1 A 13 13 PHE HA H 13 4.806 4.881 -0.075 1
1 93 . 20 1 1 A 13 13 PHE CA C 13 56.923 56.050 0.873 1
1 94 . 20 1 1 A 14 14 ARG H H 14 9.143 8.710 0.433 1
1 95 . 20 1 1 A 14 14 ARG HA H 14 4.285 4.292 -0.007 1
1 102 . 20 1 1 A 14 14 ARG CA C 14 57.406 58.579 -1.173 1
1 103 . 20 1 1 A 15 15 ASN H H 15 7.696 8.097 -0.401 1
1 104 . 20 1 1 A 15 15 ASN HA H 15 4.724 5.015 -0.291 1
1 109 . 20 1 1 A 16 16 GLU H H 16 8.884 9.179 -0.295 1
1 110 . 20 1 1 A 16 16 GLU HA H 16 3.998 4.122 -0.124 1
1 115 . 20 1 1 A 16 16 GLU CA C 16 59.272 59.096 0.176 1
1 116 . 20 1 1 A 17 17 LYS H H 17 8.121 8.292 -0.171 1
1 117 . 20 1 1 A 17 17 LYS HA H 17 4.035 3.997 0.038 1
1 124 . 20 1 1 A 17 17 LYS CA C 17 59.341 59.785 -0.444 1
1 125 . 20 1 1 A 18 18 GLU H H 18 8.173 7.709 0.464 1
1 126 . 20 1 1 A 18 18 GLU HA H 18 4.228 4.110 0.118 1
1 131 . 20 1 1 A 18 18 GLU CA C 18 59.143 59.246 -0.103 1
1 132 . 20 1 1 A 19 19 LEU H H 19 7.383 7.547 -0.164 1
1 133 . 20 1 1 A 19 19 LEU HA H 19 3.646 3.225 0.421 1
1 143 . 20 1 1 A 19 19 LEU CA C 19 57.594 57.004 0.590 1
1 144 . 20 1 1 A 20 20 ARG H H 20 8.353 8.214 0.139 1
1 145 . 20 1 1 A 20 20 ARG HA H 20 3.854 3.817 0.037 1
1 152 . 20 1 1 A 20 20 ARG CA C 20 59.831 59.652 0.179 1
1 153 . 20 1 1 A 21 21 ASP H H 21 8.481 7.589 0.892 1
1 154 . 20 1 1 A 21 21 ASP HA H 21 4.395 4.406 -0.011 1
1 157 . 20 1 1 A 21 21 ASP CA C 21 57.083 57.113 -0.030 1
1 158 . 20 1 1 A 22 22 PHE H H 22 7.803 8.415 -0.612 1
1 159 . 20 1 1 A 22 22 PHE HA H 22 4.315 4.070 0.245 1
1 166 . 20 1 1 A 23 23 ILE H H 23 8.248 7.853 0.395 1
1 167 . 20 1 1 A 23 23 ILE HA H 23 3.406 3.283 0.123 1
1 177 . 20 1 1 A 23 23 ILE CA C 23 64.236 64.585 -0.349 1
1 178 . 20 1 1 A 24 24 GLU H H 24 8.306 8.278 0.028 1
1 179 . 20 1 1 A 24 24 GLU HA H 24 3.912 3.968 -0.056 1
1 184 . 20 1 1 A 24 24 GLU CA C 24 59.215 58.720 0.495 1
1 185 . 20 1 1 A 25 25 LYS H H 25 7.605 7.061 0.544 1
1 186 . 20 1 1 A 25 25 LYS HA H 25 4.055 3.966 0.089 1
1 195 . 20 1 1 A 25 25 LYS CA C 25 58.116 58.552 -0.436 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 18 0.552 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 20 0.535 1
5 1 1 1 "RMS(OBS, PRED)" HA 22 0.324 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 18 0.778 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 20 0.499 1
11 1 2 1 "RMS(OBS, PRED)" HA 22 0.283 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 18 0.670 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 20 0.511 1
17 1 3 1 "RMS(OBS, PRED)" HA 22 0.311 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 18 0.655 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 20 0.550 1
23 1 4 1 "RMS(OBS, PRED)" HA 22 0.340 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 18 0.582 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 20 0.462 1
29 1 5 1 "RMS(OBS, PRED)" HA 22 0.273 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 18 0.558 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 20 0.574 1
35 1 6 1 "RMS(OBS, PRED)" HA 22 0.316 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 18 0.750 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 20 0.463 1
41 1 7 1 "RMS(OBS, PRED)" HA 22 0.318 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 18 0.636 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 20 0.504 1
47 1 8 1 "RMS(OBS, PRED)" HA 22 0.267 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 18 0.661 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 20 0.567 1
53 1 9 1 "RMS(OBS, PRED)" HA 22 0.351 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 18 0.705 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 20 0.497 1
59 1 10 1 "RMS(OBS, PRED)" HA 22 0.307 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 18 0.746 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 20 0.510 1
65 1 11 1 "RMS(OBS, PRED)" HA 22 0.287 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 18 0.800 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 20 0.545 1
71 1 12 1 "RMS(OBS, PRED)" HA 22 0.354 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 18 0.707 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 20 0.490 1
77 1 13 1 "RMS(OBS, PRED)" HA 22 0.313 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 18 0.694 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 20 0.519 1
83 1 14 1 "RMS(OBS, PRED)" HA 22 0.319 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 18 0.598 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 20 0.564 1
89 1 15 1 "RMS(OBS, PRED)" HA 22 0.318 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 18 0.546 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 20 0.555 1
95 1 16 1 "RMS(OBS, PRED)" HA 22 0.304 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 18 0.791 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 20 0.494 1
101 1 17 1 "RMS(OBS, PRED)" HA 22 0.291 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 18 0.701 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 20 0.500 1
107 1 18 1 "RMS(OBS, PRED)" HA 22 0.338 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 18 0.604 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 20 0.516 1
113 1 19 1 "RMS(OBS, PRED)" HA 22 0.334 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 18 0.605 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 20 0.528 1
119 1 20 1 "RMS(OBS, PRED)" HA 22 0.274 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 GLN HA H 2 4.431 4.288 0.143 2
1 2 . 1 1 A 2 2 GLN CA C 2 55.356 55.877 -0.521 2
1 3 . 1 1 A 3 3 GLN H H 3 8.498 8.320 0.178 2
1 4 . 1 1 A 3 3 GLN HA H 3 4.389 3.922 0.467 2
1 9 . 1 1 A 3 3 GLN CA C 3 56.006 55.820 0.186 2
1 10 . 1 1 A 4 4 TYR H H 4 8.236 7.540 0.696 2
1 11 . 1 1 A 4 4 TYR HA H 4 4.599 4.584 0.015 2
1 18 . 1 1 A 5 5 THR H H 5 7.881 8.884 -1.003 2
1 19 . 1 1 A 5 5 THR HA H 5 4.216 4.627 -0.411 2
1 24 . 1 1 A 5 5 THR CA C 5 62.394 61.996 0.398 2
1 52 . 1 1 A 9 9 LYS H H 9 8.044 8.670 -0.626 2
1 53 . 1 1 A 9 9 LYS HA H 9 4.143 4.455 -0.312 2
1 62 . 1 1 A 9 9 LYS CA C 9 56.732 56.514 0.218 2
1 63 . 1 1 A 10 10 GLY H H 10 8.197 8.831 -0.634 2
1 64 . 1 1 A 10 10 GLY HA2 H 10 4.015 3.946 0.069 2
1 65 . 1 1 A 10 10 GLY HA3 H 10 3.854 3.949 -0.095 2
1 66 . 1 1 A 10 10 GLY CA C 10 45.352 45.338 0.014 2
1 67 . 1 1 A 11 11 ARG H H 11 7.769 7.916 -0.147 2
1 68 . 1 1 A 11 11 ARG HA H 11 4.357 4.596 -0.239 2
1 76 . 1 1 A 11 11 ARG CA C 11 55.356 54.619 0.737 2
1 77 . 1 1 A 12 12 THR H H 12 7.891 8.594 -0.703 2
1 78 . 1 1 A 12 12 THR HA H 12 4.352 5.194 -0.842 2
1 83 . 1 1 A 12 12 THR CA C 12 61.230 59.782 1.448 2
1 84 . 1 1 A 13 13 PHE H H 13 8.194 8.756 -0.562 2
1 85 . 1 1 A 13 13 PHE HA H 13 4.806 4.942 -0.136 2
1 93 . 1 1 A 13 13 PHE CA C 13 56.923 56.267 0.656 2
1 94 . 1 1 A 14 14 ARG H H 14 9.143 8.830 0.313 2
1 95 . 1 1 A 14 14 ARG HA H 14 4.285 4.287 -0.002 2
1 102 . 1 1 A 14 14 ARG CA C 14 57.406 58.507 -1.101 2
1 103 . 1 1 A 15 15 ASN H H 15 7.696 8.077 -0.381 2
1 104 . 1 1 A 15 15 ASN HA H 15 4.724 5.022 -0.298 2
1 109 . 1 1 A 16 16 GLU H H 16 8.884 9.063 -0.179 2
1 110 . 1 1 A 16 16 GLU HA H 16 3.998 3.972 0.026 2
1 115 . 1 1 A 16 16 GLU CA C 16 59.272 59.268 0.004 2
1 116 . 1 1 A 17 17 LYS H H 17 8.121 8.173 -0.052 2
1 117 . 1 1 A 17 17 LYS HA H 17 4.035 3.977 0.058 2
1 124 . 1 1 A 17 17 LYS CA C 17 59.341 59.803 -0.462 2
1 125 . 1 1 A 18 18 GLU H H 18 8.173 7.841 0.332 2
1 126 . 1 1 A 18 18 GLU HA H 18 4.228 4.040 0.188 2
1 131 . 1 1 A 18 18 GLU CA C 18 59.143 59.071 0.072 2
1 132 . 1 1 A 19 19 LEU H H 19 7.383 7.388 -0.005 2
1 133 . 1 1 A 19 19 LEU HA H 19 3.646 3.060 0.586 2
1 143 . 1 1 A 19 19 LEU CA C 19 57.594 56.884 0.710 2
1 144 . 1 1 A 20 20 ARG H H 20 8.353 8.133 0.220 2
1 145 . 1 1 A 20 20 ARG HA H 20 3.854 3.780 0.074 2
1 152 . 1 1 A 20 20 ARG CA C 20 59.831 59.596 0.234 2
1 153 . 1 1 A 21 21 ASP H H 21 8.481 7.675 0.806 2
1 154 . 1 1 A 21 21 ASP HA H 21 4.395 4.324 0.071 2
1 157 . 1 1 A 21 21 ASP CA C 21 57.083 56.877 0.206 2
1 158 . 1 1 A 22 22 PHE H H 22 7.803 8.265 -0.463 2
1 159 . 1 1 A 22 22 PHE HA H 22 4.315 4.026 0.289 2
1 166 . 1 1 A 23 23 ILE H H 23 8.248 7.952 0.296 2
1 167 . 1 1 A 23 23 ILE HA H 23 3.406 3.345 0.062 2
1 177 . 1 1 A 23 23 ILE CA C 23 64.236 64.843 -0.607 2
1 178 . 1 1 A 24 24 GLU H H 24 8.306 8.067 0.239 2
1 179 . 1 1 A 24 24 GLU HA H 24 3.912 3.963 -0.051 2
1 184 . 1 1 A 24 24 GLU CA C 24 59.215 59.275 -0.059 2
1 185 . 1 1 A 25 25 LYS H H 25 7.605 7.168 0.437 2
1 186 . 1 1 A 25 25 LYS HA H 25 4.055 3.950 0.105 2
1 195 . 1 1 A 25 25 LYS CA C 25 58.116 58.521 -0.405 2
stop_
save_