data_17884 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17884 _Entry.PDB_ID 2LI9 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 17884 _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 ALA HA H 2 4.097 4.097 3.973 0.124 17884 2 1 1 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.532 -1.594 17884 3 1 1 . 1 1 2 2 ALA CB C 2 17.269 17.269 20.393 -3.124 17884 4 1 1 . 1 1 2 2 ALA H H 2 8.360 8.360 8.338 0.022 17884 5 1 1 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.312 -0.272 17884 6 1 1 . 1 1 3 3 GLU H H 3 8.289 8.289 8.428 -0.139 17884 7 1 1 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.279 0.086 17884 8 1 1 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.035 -0.538 17884 9 1 1 . 1 1 4 4 PHE H H 4 8.238 8.238 7.850 0.388 17884 10 1 1 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.741 -1.397 17884 11 1 1 . 1 1 5 5 GLY H H 5 8.353 8.353 7.423 0.930 17884 12 1 1 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.351 0.079 17884 13 1 1 . 1 1 6 6 HIS H H 6 8.090 8.090 7.388 0.702 17884 14 1 1 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.330 0.154 17884 15 1 1 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.701 -3.384 17884 16 1 1 . 1 1 7 7 ASP H H 7 8.425 8.425 8.103 0.322 17884 17 1 1 . 1 1 8 8 SER HA H 8 4.188 4.188 4.280 -0.092 17884 18 1 1 . 1 1 8 8 SER CA C 8 57.528 57.528 57.276 0.252 17884 19 1 1 . 1 1 8 8 SER CB C 8 61.930 61.930 65.178 -3.248 17884 20 1 1 . 1 1 8 8 SER H H 8 8.353 8.353 7.296 1.057 17884 21 1 1 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.871 -1.354 17884 22 1 1 . 1 1 9 9 GLY H H 9 8.420 8.420 8.305 0.115 17884 23 1 1 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.688 -0.298 17884 24 1 1 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.242 -1.690 17884 25 1 1 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.136 -1.346 17884 26 1 1 . 1 1 10 10 PHE H H 10 7.964 7.964 7.467 0.497 17884 27 1 1 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.320 -0.209 17884 28 1 1 . 1 1 11 11 GLU H H 11 8.353 8.353 7.476 0.877 17884 29 1 1 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.713 0.118 17884 30 1 1 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.003 -1.496 17884 31 1 1 . 1 1 12 12 VAL CB C 12 30.679 30.679 31.888 -1.209 17884 32 1 1 . 1 1 12 12 VAL H H 12 8.152 8.152 7.958 0.194 17884 33 1 1 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.366 -0.273 17884 34 1 1 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.842 -0.210 17884 35 1 1 . 1 1 13 13 ARG H H 13 8.158 8.158 8.258 -0.100 17884 36 1 1 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.337 0.194 17884 37 1 1 . 1 1 14 14 HIS H H 14 8.287 8.287 8.703 -0.416 17884 38 1 1 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.251 -0.093 17884 39 1 1 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.352 -2.342 17884 40 1 1 . 1 1 15 15 GLN H H 15 8.286 8.286 9.137 -0.851 17884 41 1 2 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.626 0.471 17884 42 1 2 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.506 -1.568 17884 43 1 2 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.959 -2.690 17884 44 1 2 . 1 1 2 2 ALA H H 2 8.360 8.360 8.248 0.112 17884 45 1 2 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.304 -0.264 17884 46 1 2 . 1 1 3 3 GLU H H 3 8.289 8.289 8.504 -0.215 17884 47 1 2 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.297 0.068 17884 48 1 2 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.916 -0.419 17884 49 1 2 . 1 1 4 4 PHE H H 4 8.238 8.238 7.973 0.265 17884 50 1 2 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.856 -1.512 17884 51 1 2 . 1 1 5 5 GLY H H 5 8.353 8.353 7.521 0.832 17884 52 1 2 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.677 -0.247 17884 53 1 2 . 1 1 6 6 HIS H H 6 8.090 8.090 7.495 0.595 17884 54 1 2 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.457 0.027 17884 55 1 2 . 1 1 7 7 ASP CA C 7 52.317 52.317 54.165 -1.848 17884 56 1 2 . 1 1 7 7 ASP H H 7 8.425 8.425 8.288 0.137 17884 57 1 2 . 1 1 8 8 SER HA H 8 4.188 4.188 4.427 -0.239 17884 58 1 2 . 1 1 8 8 SER CA C 8 57.528 57.528 57.736 -0.208 17884 59 1 2 . 1 1 8 8 SER CB C 8 61.930 61.930 64.023 -2.093 17884 60 1 2 . 1 1 8 8 SER H H 8 8.353 8.353 6.765 1.588 17884 61 1 2 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.029 -1.512 17884 62 1 2 . 1 1 9 9 GLY H H 9 8.420 8.420 8.371 0.049 17884 63 1 2 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.867 -0.477 17884 64 1 2 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.116 -1.564 17884 65 1 2 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.552 -1.762 17884 66 1 2 . 1 1 10 10 PHE H H 10 7.964 7.964 7.615 0.349 17884 67 1 2 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.292 -0.181 17884 68 1 2 . 1 1 11 11 GLU H H 11 8.353 8.353 7.868 0.485 17884 69 1 2 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.662 0.169 17884 70 1 2 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.088 -1.581 17884 71 1 2 . 1 1 12 12 VAL CB C 12 30.679 30.679 31.761 -1.082 17884 72 1 2 . 1 1 12 12 VAL H H 12 8.152 8.152 7.905 0.247 17884 73 1 2 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.469 -0.376 17884 74 1 2 . 1 1 13 13 ARG CA C 13 54.632 54.632 53.438 1.194 17884 75 1 2 . 1 1 13 13 ARG H H 13 8.158 8.158 8.330 -0.172 17884 76 1 2 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.254 0.277 17884 77 1 2 . 1 1 14 14 HIS H H 14 8.287 8.287 8.615 -0.328 17884 78 1 2 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.503 -0.345 17884 79 1 2 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.590 -0.580 17884 80 1 2 . 1 1 15 15 GLN H H 15 8.286 8.286 7.954 0.332 17884 81 1 3 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.323 0.774 17884 82 1 3 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.581 -0.643 17884 83 1 3 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.209 -1.940 17884 84 1 3 . 1 1 2 2 ALA H H 2 8.360 8.360 7.984 0.376 17884 85 1 3 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.432 -0.392 17884 86 1 3 . 1 1 3 3 GLU H H 3 8.289 8.289 8.731 -0.442 17884 87 1 3 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.466 -0.101 17884 88 1 3 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.427 -0.930 17884 89 1 3 . 1 1 4 4 PHE H H 4 8.238 8.238 7.505 0.733 17884 90 1 3 . 1 1 5 5 GLY CA C 5 43.344 43.344 45.083 -1.739 17884 91 1 3 . 1 1 5 5 GLY H H 5 8.353 8.353 7.506 0.847 17884 92 1 3 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.610 -0.180 17884 93 1 3 . 1 1 6 6 HIS H H 6 8.090 8.090 7.249 0.841 17884 94 1 3 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.397 0.087 17884 95 1 3 . 1 1 7 7 ASP CA C 7 52.317 52.317 51.792 0.525 17884 96 1 3 . 1 1 7 7 ASP H H 7 8.425 8.425 7.262 1.163 17884 97 1 3 . 1 1 8 8 SER HA H 8 4.188 4.188 3.983 0.205 17884 98 1 3 . 1 1 8 8 SER CA C 8 57.528 57.528 60.329 -2.801 17884 99 1 3 . 1 1 8 8 SER CB C 8 61.930 61.930 63.168 -1.238 17884 100 1 3 . 1 1 8 8 SER H H 8 8.353 8.353 8.151 0.202 17884 101 1 3 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.387 -1.870 17884 102 1 3 . 1 1 9 9 GLY H H 9 8.420 8.420 8.096 0.324 17884 103 1 3 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.548 -0.158 17884 104 1 3 . 1 1 10 10 PHE CA C 10 56.552 56.552 57.962 -1.410 17884 105 1 3 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.047 -1.257 17884 106 1 3 . 1 1 10 10 PHE H H 10 7.964 7.964 7.528 0.436 17884 107 1 3 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.427 -0.316 17884 108 1 3 . 1 1 11 11 GLU H H 11 8.353 8.353 7.785 0.568 17884 109 1 3 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.954 -0.123 17884 110 1 3 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.370 -1.863 17884 111 1 3 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.163 -1.484 17884 112 1 3 . 1 1 12 12 VAL H H 12 8.152 8.152 8.169 -0.017 17884 113 1 3 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.270 -0.177 17884 114 1 3 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.344 -0.713 17884 115 1 3 . 1 1 13 13 ARG H H 13 8.158 8.158 8.405 -0.247 17884 116 1 3 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.406 0.125 17884 117 1 3 . 1 1 14 14 HIS H H 14 8.287 8.287 8.702 -0.415 17884 118 1 3 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.538 -0.380 17884 119 1 3 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.914 -0.904 17884 120 1 3 . 1 1 15 15 GLN H H 15 8.286 8.286 8.708 -0.422 17884 121 1 4 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.769 0.328 17884 122 1 4 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.500 -1.562 17884 123 1 4 . 1 1 2 2 ALA CB C 2 17.269 17.269 20.075 -2.806 17884 124 1 4 . 1 1 2 2 ALA H H 2 8.360 8.360 8.304 0.056 17884 125 1 4 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.342 -0.302 17884 126 1 4 . 1 1 3 3 GLU H H 3 8.289 8.289 8.574 -0.285 17884 127 1 4 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.360 0.005 17884 128 1 4 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.406 -0.909 17884 129 1 4 . 1 1 4 4 PHE H H 4 8.238 8.238 7.206 1.032 17884 130 1 4 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.994 -1.650 17884 131 1 4 . 1 1 5 5 GLY H H 5 8.353 8.353 7.309 1.044 17884 132 1 4 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.814 0.616 17884 133 1 4 . 1 1 6 6 HIS H H 6 8.090 8.090 7.399 0.691 17884 134 1 4 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.304 0.180 17884 135 1 4 . 1 1 7 7 ASP CA C 7 52.317 52.317 56.343 -4.026 17884 136 1 4 . 1 1 7 7 ASP H H 7 8.425 8.425 7.831 0.594 17884 137 1 4 . 1 1 8 8 SER HA H 8 4.188 4.188 3.709 0.479 17884 138 1 4 . 1 1 8 8 SER CA C 8 57.528 57.528 58.265 -0.737 17884 139 1 4 . 1 1 8 8 SER CB C 8 61.930 61.930 63.493 -1.563 17884 140 1 4 . 1 1 8 8 SER H H 8 8.353 8.353 7.429 0.924 17884 141 1 4 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.096 -1.579 17884 142 1 4 . 1 1 9 9 GLY H H 9 8.420 8.420 8.061 0.359 17884 143 1 4 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.670 -0.280 17884 144 1 4 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.032 -1.480 17884 145 1 4 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.454 -0.664 17884 146 1 4 . 1 1 10 10 PHE H H 10 7.964 7.964 7.493 0.471 17884 147 1 4 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.356 -0.245 17884 148 1 4 . 1 1 11 11 GLU H H 11 8.353 8.353 8.078 0.275 17884 149 1 4 . 1 1 12 12 VAL HA H 12 3.831 3.831 4.082 -0.251 17884 150 1 4 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.197 -0.690 17884 151 1 4 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.818 -2.139 17884 152 1 4 . 1 1 12 12 VAL H H 12 8.152 8.152 7.954 0.198 17884 153 1 4 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.377 -0.284 17884 154 1 4 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.637 -1.005 17884 155 1 4 . 1 1 13 13 ARG H H 13 8.158 8.158 8.325 -0.167 17884 156 1 4 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.337 0.194 17884 157 1 4 . 1 1 14 14 HIS H H 14 8.287 8.287 8.728 -0.441 17884 158 1 4 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.189 -0.031 17884 159 1 4 . 1 1 15 15 GLN CA C 15 54.010 54.010 57.414 -3.404 17884 160 1 4 . 1 1 15 15 GLN H H 15 8.286 8.286 8.664 -0.378 17884 161 1 5 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.425 0.672 17884 162 1 5 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.984 -2.046 17884 163 1 5 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.459 -2.190 17884 164 1 5 . 1 1 2 2 ALA H H 2 8.360 8.360 8.166 0.194 17884 165 1 5 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.315 -0.275 17884 166 1 5 . 1 1 3 3 GLU H H 3 8.289 8.289 8.647 -0.358 17884 167 1 5 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.384 -0.019 17884 168 1 5 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.169 -0.672 17884 169 1 5 . 1 1 4 4 PHE H H 4 8.238 8.238 7.778 0.460 17884 170 1 5 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.941 -1.597 17884 171 1 5 . 1 1 5 5 GLY H H 5 8.353 8.353 7.736 0.617 17884 172 1 5 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.433 -0.003 17884 173 1 5 . 1 1 6 6 HIS H H 6 8.090 8.090 7.515 0.575 17884 174 1 5 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.342 0.142 17884 175 1 5 . 1 1 7 7 ASP CA C 7 52.317 52.317 54.160 -1.843 17884 176 1 5 . 1 1 7 7 ASP H H 7 8.425 8.425 7.833 0.592 17884 177 1 5 . 1 1 8 8 SER HA H 8 4.188 4.188 4.477 -0.289 17884 178 1 5 . 1 1 8 8 SER CA C 8 57.528 57.528 57.686 -0.158 17884 179 1 5 . 1 1 8 8 SER CB C 8 61.930 61.930 63.721 -1.791 17884 180 1 5 . 1 1 8 8 SER H H 8 8.353 8.353 6.744 1.609 17884 181 1 5 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.456 -1.939 17884 182 1 5 . 1 1 9 9 GLY H H 9 8.420 8.420 8.134 0.286 17884 183 1 5 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.778 -0.388 17884 184 1 5 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.257 -1.705 17884 185 1 5 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.489 -1.699 17884 186 1 5 . 1 1 10 10 PHE H H 10 7.964 7.964 6.794 1.170 17884 187 1 5 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.299 -0.188 17884 188 1 5 . 1 1 11 11 GLU H H 11 8.353 8.353 7.878 0.475 17884 189 1 5 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.914 -0.083 17884 190 1 5 . 1 1 12 12 VAL CA C 12 61.507 61.507 61.986 -0.479 17884 191 1 5 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.633 -1.954 17884 192 1 5 . 1 1 12 12 VAL H H 12 8.152 8.152 7.909 0.243 17884 193 1 5 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.230 -0.137 17884 194 1 5 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.348 -0.716 17884 195 1 5 . 1 1 13 13 ARG H H 13 8.158 8.158 8.366 -0.208 17884 196 1 5 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.236 0.295 17884 197 1 5 . 1 1 14 14 HIS H H 14 8.287 8.287 8.645 -0.358 17884 198 1 5 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.226 -0.068 17884 199 1 5 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.296 -2.286 17884 200 1 5 . 1 1 15 15 GLN H H 15 8.286 8.286 8.875 -0.589 17884 201 1 6 . 1 1 2 2 ALA HA H 2 4.097 4.097 2.878 1.219 17884 202 1 6 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.665 -1.727 17884 203 1 6 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.576 -0.307 17884 204 1 6 . 1 1 2 2 ALA H H 2 8.360 8.360 8.283 0.077 17884 205 1 6 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.147 -0.107 17884 206 1 6 . 1 1 3 3 GLU H H 3 8.289 8.289 8.361 -0.072 17884 207 1 6 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.267 0.098 17884 208 1 6 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.751 -0.253 17884 209 1 6 . 1 1 4 4 PHE H H 4 8.238 8.238 7.337 0.901 17884 210 1 6 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.729 -1.385 17884 211 1 6 . 1 1 5 5 GLY H H 5 8.353 8.353 7.528 0.825 17884 212 1 6 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.637 0.793 17884 213 1 6 . 1 1 6 6 HIS H H 6 8.090 8.090 7.303 0.787 17884 214 1 6 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.395 0.089 17884 215 1 6 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.269 -2.952 17884 216 1 6 . 1 1 7 7 ASP H H 7 8.425 8.425 8.352 0.073 17884 217 1 6 . 1 1 8 8 SER HA H 8 4.188 4.188 4.110 0.078 17884 218 1 6 . 1 1 8 8 SER CA C 8 57.528 57.528 57.890 -0.362 17884 219 1 6 . 1 1 8 8 SER CB C 8 61.930 61.930 63.772 -1.842 17884 220 1 6 . 1 1 8 8 SER H H 8 8.353 8.353 7.419 0.934 17884 221 1 6 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.673 -1.156 17884 222 1 6 . 1 1 9 9 GLY H H 9 8.420 8.420 8.013 0.407 17884 223 1 6 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.537 -0.147 17884 224 1 6 . 1 1 10 10 PHE CA C 10 56.552 56.552 59.949 -3.397 17884 225 1 6 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.711 -0.921 17884 226 1 6 . 1 1 10 10 PHE H H 10 7.964 7.964 7.323 0.641 17884 227 1 6 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.349 -0.238 17884 228 1 6 . 1 1 11 11 GLU H H 11 8.353 8.353 8.087 0.266 17884 229 1 6 . 1 1 12 12 VAL HA H 12 3.831 3.831 4.001 -0.170 17884 230 1 6 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.178 -0.671 17884 231 1 6 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.651 -1.972 17884 232 1 6 . 1 1 12 12 VAL H H 12 8.152 8.152 7.781 0.371 17884 233 1 6 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.327 -0.234 17884 234 1 6 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.035 -0.404 17884 235 1 6 . 1 1 13 13 ARG H H 13 8.158 8.158 8.315 -0.157 17884 236 1 6 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.504 0.027 17884 237 1 6 . 1 1 14 14 HIS H H 14 8.287 8.287 8.391 -0.104 17884 238 1 6 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.328 -0.170 17884 239 1 6 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.279 -1.269 17884 240 1 6 . 1 1 15 15 GLN H H 15 8.286 8.286 9.158 -0.872 17884 241 1 7 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.483 0.614 17884 242 1 7 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.312 -1.374 17884 243 1 7 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.201 -1.932 17884 244 1 7 . 1 1 2 2 ALA H H 2 8.360 8.360 8.014 0.346 17884 245 1 7 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.419 -0.379 17884 246 1 7 . 1 1 3 3 GLU H H 3 8.289 8.289 8.774 -0.485 17884 247 1 7 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.416 -0.051 17884 248 1 7 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.838 -0.341 17884 249 1 7 . 1 1 4 4 PHE H H 4 8.238 8.238 7.639 0.599 17884 250 1 7 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.982 -1.638 17884 251 1 7 . 1 1 5 5 GLY H H 5 8.353 8.353 7.511 0.842 17884 252 1 7 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.345 0.085 17884 253 1 7 . 1 1 6 6 HIS H H 6 8.090 8.090 7.288 0.802 17884 254 1 7 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.434 0.050 17884 255 1 7 . 1 1 7 7 ASP CA C 7 52.317 52.317 54.364 -2.047 17884 256 1 7 . 1 1 7 7 ASP H H 7 8.425 8.425 8.073 0.352 17884 257 1 7 . 1 1 8 8 SER HA H 8 4.188 4.188 4.395 -0.207 17884 258 1 7 . 1 1 8 8 SER CA C 8 57.528 57.528 57.777 -0.249 17884 259 1 7 . 1 1 8 8 SER CB C 8 61.930 61.930 63.613 -1.683 17884 260 1 7 . 1 1 8 8 SER H H 8 8.353 8.353 7.030 1.323 17884 261 1 7 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.234 -1.717 17884 262 1 7 . 1 1 9 9 GLY H H 9 8.420 8.420 8.244 0.176 17884 263 1 7 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.856 -0.466 17884 264 1 7 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.138 -1.586 17884 265 1 7 . 1 1 10 10 PHE CB C 10 37.790 37.790 40.395 -2.606 17884 266 1 7 . 1 1 10 10 PHE H H 10 7.964 7.964 7.269 0.695 17884 267 1 7 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.251 -0.140 17884 268 1 7 . 1 1 11 11 GLU H H 11 8.353 8.353 7.451 0.902 17884 269 1 7 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.846 -0.015 17884 270 1 7 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.455 -0.948 17884 271 1 7 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.197 -1.518 17884 272 1 7 . 1 1 12 12 VAL H H 12 8.152 8.152 7.937 0.215 17884 273 1 7 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.201 -0.108 17884 274 1 7 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.661 -1.029 17884 275 1 7 . 1 1 13 13 ARG H H 13 8.158 8.158 8.374 -0.216 17884 276 1 7 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.339 0.192 17884 277 1 7 . 1 1 14 14 HIS H H 14 8.287 8.287 8.568 -0.281 17884 278 1 7 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.428 -0.270 17884 279 1 7 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.910 -1.900 17884 280 1 7 . 1 1 15 15 GLN H H 15 8.286 8.286 9.042 -0.756 17884 281 1 8 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.505 0.592 17884 282 1 8 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.907 -0.969 17884 283 1 8 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.555 -2.285 17884 284 1 8 . 1 1 2 2 ALA H H 2 8.360 8.360 7.954 0.406 17884 285 1 8 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.422 -0.382 17884 286 1 8 . 1 1 3 3 GLU H H 3 8.289 8.289 8.764 -0.475 17884 287 1 8 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.316 0.049 17884 288 1 8 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.178 -0.681 17884 289 1 8 . 1 1 4 4 PHE H H 4 8.238 8.238 7.330 0.908 17884 290 1 8 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.727 -1.383 17884 291 1 8 . 1 1 5 5 GLY H H 5 8.353 8.353 7.563 0.790 17884 292 1 8 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.126 0.304 17884 293 1 8 . 1 1 6 6 HIS H H 6 8.090 8.090 7.193 0.897 17884 294 1 8 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.093 0.391 17884 295 1 8 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.842 -0.525 17884 296 1 8 . 1 1 7 7 ASP H H 7 8.425 8.425 7.229 1.196 17884 297 1 8 . 1 1 8 8 SER HA H 8 4.188 4.188 4.079 0.109 17884 298 1 8 . 1 1 8 8 SER CA C 8 57.528 57.528 60.044 -2.516 17884 299 1 8 . 1 1 8 8 SER CB C 8 61.930 61.930 62.871 -0.941 17884 300 1 8 . 1 1 8 8 SER H H 8 8.353 8.353 8.532 -0.179 17884 301 1 8 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.864 -1.347 17884 302 1 8 . 1 1 9 9 GLY H H 9 8.420 8.420 8.165 0.255 17884 303 1 8 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.790 -0.400 17884 304 1 8 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.365 -1.813 17884 305 1 8 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.964 -1.174 17884 306 1 8 . 1 1 10 10 PHE H H 10 7.964 7.964 6.926 1.038 17884 307 1 8 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.397 -0.286 17884 308 1 8 . 1 1 11 11 GLU H H 11 8.353 8.353 7.942 0.411 17884 309 1 8 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.835 -0.004 17884 310 1 8 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.918 -1.411 17884 311 1 8 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.114 -1.435 17884 312 1 8 . 1 1 12 12 VAL H H 12 8.152 8.152 8.172 -0.020 17884 313 1 8 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.156 -0.063 17884 314 1 8 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.945 -0.313 17884 315 1 8 . 1 1 13 13 ARG H H 13 8.158 8.158 8.444 -0.286 17884 316 1 8 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.373 0.158 17884 317 1 8 . 1 1 14 14 HIS H H 14 8.287 8.287 8.521 -0.234 17884 318 1 8 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.429 -0.271 17884 319 1 8 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.928 -0.918 17884 320 1 8 . 1 1 15 15 GLN H H 15 8.286 8.286 8.292 -0.006 17884 321 1 9 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.888 0.209 17884 322 1 9 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.007 -1.069 17884 323 1 9 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.360 -2.091 17884 324 1 9 . 1 1 2 2 ALA H H 2 8.360 8.360 8.233 0.127 17884 325 1 9 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.281 -0.241 17884 326 1 9 . 1 1 3 3 GLU H H 3 8.289 8.289 8.865 -0.576 17884 327 1 9 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.372 -0.007 17884 328 1 9 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.970 -0.473 17884 329 1 9 . 1 1 4 4 PHE H H 4 8.238 8.238 7.820 0.418 17884 330 1 9 . 1 1 5 5 GLY CA C 5 43.344 43.344 45.197 -1.853 17884 331 1 9 . 1 1 5 5 GLY H H 5 8.353 8.353 7.177 1.176 17884 332 1 9 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.049 0.381 17884 333 1 9 . 1 1 6 6 HIS H H 6 8.090 8.090 7.596 0.494 17884 334 1 9 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.395 0.089 17884 335 1 9 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.771 -3.454 17884 336 1 9 . 1 1 7 7 ASP H H 7 8.425 8.425 7.865 0.560 17884 337 1 9 . 1 1 8 8 SER HA H 8 4.188 4.188 4.226 -0.038 17884 338 1 9 . 1 1 8 8 SER CA C 8 57.528 57.528 57.464 0.064 17884 339 1 9 . 1 1 8 8 SER CB C 8 61.930 61.930 65.010 -3.080 17884 340 1 9 . 1 1 8 8 SER H H 8 8.353 8.353 6.964 1.389 17884 341 1 9 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.678 -2.161 17884 342 1 9 . 1 1 9 9 GLY H H 9 8.420 8.420 7.841 0.579 17884 343 1 9 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.730 -0.340 17884 344 1 9 . 1 1 10 10 PHE CA C 10 56.552 56.552 59.076 -2.524 17884 345 1 9 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.647 -1.857 17884 346 1 9 . 1 1 10 10 PHE H H 10 7.964 7.964 7.297 0.667 17884 347 1 9 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.387 -0.276 17884 348 1 9 . 1 1 11 11 GLU H H 11 8.353 8.353 7.711 0.642 17884 349 1 9 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.881 -0.050 17884 350 1 9 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.393 -1.886 17884 351 1 9 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.048 -1.369 17884 352 1 9 . 1 1 12 12 VAL H H 12 8.152 8.152 8.046 0.106 17884 353 1 9 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.279 -0.186 17884 354 1 9 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.752 -0.120 17884 355 1 9 . 1 1 13 13 ARG H H 13 8.158 8.158 8.261 -0.103 17884 356 1 9 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.301 0.230 17884 357 1 9 . 1 1 14 14 HIS H H 14 8.287 8.287 8.681 -0.394 17884 358 1 9 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.404 -0.246 17884 359 1 9 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.600 -1.590 17884 360 1 9 . 1 1 15 15 GLN H H 15 8.286 8.286 8.950 -0.664 17884 361 1 10 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.467 0.630 17884 362 1 10 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.863 -0.925 17884 363 1 10 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.465 -2.196 17884 364 1 10 . 1 1 2 2 ALA H H 2 8.360 8.360 7.923 0.437 17884 365 1 10 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.345 -0.305 17884 366 1 10 . 1 1 3 3 GLU H H 3 8.289 8.289 8.666 -0.377 17884 367 1 10 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.445 -0.080 17884 368 1 10 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.396 -0.899 17884 369 1 10 . 1 1 4 4 PHE H H 4 8.238 8.238 7.445 0.793 17884 370 1 10 . 1 1 5 5 GLY CA C 5 43.344 43.344 45.236 -1.891 17884 371 1 10 . 1 1 5 5 GLY H H 5 8.353 8.353 7.771 0.582 17884 372 1 10 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.524 -0.094 17884 373 1 10 . 1 1 6 6 HIS H H 6 8.090 8.090 7.446 0.644 17884 374 1 10 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.325 0.159 17884 375 1 10 . 1 1 7 7 ASP CA C 7 52.317 52.317 51.713 0.604 17884 376 1 10 . 1 1 7 7 ASP H H 7 8.425 8.425 7.338 1.087 17884 377 1 10 . 1 1 8 8 SER HA H 8 4.188 4.188 3.990 0.198 17884 378 1 10 . 1 1 8 8 SER CA C 8 57.528 57.528 60.225 -2.697 17884 379 1 10 . 1 1 8 8 SER CB C 8 61.930 61.930 63.302 -1.372 17884 380 1 10 . 1 1 8 8 SER H H 8 8.353 8.353 8.163 0.190 17884 381 1 10 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.434 -1.917 17884 382 1 10 . 1 1 9 9 GLY H H 9 8.420 8.420 8.032 0.388 17884 383 1 10 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.500 -0.110 17884 384 1 10 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.424 -1.872 17884 385 1 10 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.179 -1.389 17884 386 1 10 . 1 1 10 10 PHE H H 10 7.964 7.964 7.456 0.508 17884 387 1 10 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.380 -0.269 17884 388 1 10 . 1 1 11 11 GLU H H 11 8.353 8.353 7.843 0.510 17884 389 1 10 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.854 -0.023 17884 390 1 10 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.921 -1.414 17884 391 1 10 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.107 -1.428 17884 392 1 10 . 1 1 12 12 VAL H H 12 8.152 8.152 8.279 -0.127 17884 393 1 10 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.285 -0.192 17884 394 1 10 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.134 0.498 17884 395 1 10 . 1 1 13 13 ARG H H 13 8.158 8.158 8.324 -0.166 17884 396 1 10 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.326 0.205 17884 397 1 10 . 1 1 14 14 HIS H H 14 8.287 8.287 8.573 -0.286 17884 398 1 10 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.423 -0.265 17884 399 1 10 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.616 -1.606 17884 400 1 10 . 1 1 15 15 GLN H H 15 8.286 8.286 8.600 -0.314 17884 401 1 11 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.190 0.907 17884 402 1 11 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.625 -1.687 17884 403 1 11 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.592 -0.323 17884 404 1 11 . 1 1 2 2 ALA H H 2 8.360 8.360 8.170 0.190 17884 405 1 11 . 1 1 3 3 GLU HA H 3 4.040 4.040 3.991 0.049 17884 406 1 11 . 1 1 3 3 GLU H H 3 8.289 8.289 8.453 -0.164 17884 407 1 11 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.342 0.023 17884 408 1 11 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.874 -0.377 17884 409 1 11 . 1 1 4 4 PHE H H 4 8.238 8.238 7.410 0.828 17884 410 1 11 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.958 -1.614 17884 411 1 11 . 1 1 5 5 GLY H H 5 8.353 8.353 7.739 0.614 17884 412 1 11 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.482 -0.052 17884 413 1 11 . 1 1 6 6 HIS H H 6 8.090 8.090 7.406 0.684 17884 414 1 11 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.318 0.166 17884 415 1 11 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.013 0.304 17884 416 1 11 . 1 1 7 7 ASP H H 7 8.425 8.425 7.441 0.984 17884 417 1 11 . 1 1 8 8 SER HA H 8 4.188 4.188 4.366 -0.178 17884 418 1 11 . 1 1 8 8 SER CA C 8 57.528 57.528 57.930 -0.402 17884 419 1 11 . 1 1 8 8 SER CB C 8 61.930 61.930 64.764 -2.834 17884 420 1 11 . 1 1 8 8 SER H H 8 8.353 8.353 8.015 0.338 17884 421 1 11 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.774 -2.257 17884 422 1 11 . 1 1 9 9 GLY H H 9 8.420 8.420 7.576 0.844 17884 423 1 11 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.541 -0.151 17884 424 1 11 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.399 -1.847 17884 425 1 11 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.099 -0.309 17884 426 1 11 . 1 1 10 10 PHE H H 10 7.964 7.964 7.263 0.701 17884 427 1 11 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.330 -0.219 17884 428 1 11 . 1 1 11 11 GLU H H 11 8.353 8.353 7.551 0.802 17884 429 1 11 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.993 -0.162 17884 430 1 11 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.642 -1.135 17884 431 1 11 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.519 -1.840 17884 432 1 11 . 1 1 12 12 VAL H H 12 8.152 8.152 8.114 0.038 17884 433 1 11 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.611 -0.518 17884 434 1 11 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.078 -0.446 17884 435 1 11 . 1 1 13 13 ARG H H 13 8.158 8.158 8.299 -0.141 17884 436 1 11 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.317 0.214 17884 437 1 11 . 1 1 14 14 HIS H H 14 8.287 8.287 8.687 -0.400 17884 438 1 11 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.498 -0.340 17884 439 1 11 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.083 -1.073 17884 440 1 11 . 1 1 15 15 GLN H H 15 8.286 8.286 8.700 -0.414 17884 441 1 12 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.810 0.287 17884 442 1 12 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.695 -1.757 17884 443 1 12 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.721 -2.453 17884 444 1 12 . 1 1 2 2 ALA H H 2 8.360 8.360 8.319 0.041 17884 445 1 12 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.233 -0.193 17884 446 1 12 . 1 1 3 3 GLU H H 3 8.289 8.289 8.196 0.093 17884 447 1 12 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.344 0.021 17884 448 1 12 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.236 -0.739 17884 449 1 12 . 1 1 4 4 PHE H H 4 8.238 8.238 7.437 0.801 17884 450 1 12 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.891 -1.547 17884 451 1 12 . 1 1 5 5 GLY H H 5 8.353 8.353 7.104 1.249 17884 452 1 12 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.300 0.130 17884 453 1 12 . 1 1 6 6 HIS H H 6 8.090 8.090 7.204 0.886 17884 454 1 12 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.545 -0.061 17884 455 1 12 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.973 -1.656 17884 456 1 12 . 1 1 7 7 ASP H H 7 8.425 8.425 8.231 0.194 17884 457 1 12 . 1 1 8 8 SER HA H 8 4.188 4.188 4.253 -0.065 17884 458 1 12 . 1 1 8 8 SER CA C 8 57.528 57.528 57.897 -0.369 17884 459 1 12 . 1 1 8 8 SER CB C 8 61.930 61.930 63.459 -1.529 17884 460 1 12 . 1 1 8 8 SER H H 8 8.353 8.353 6.544 1.809 17884 461 1 12 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.742 -2.225 17884 462 1 12 . 1 1 9 9 GLY H H 9 8.420 8.420 7.813 0.607 17884 463 1 12 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.997 -0.607 17884 464 1 12 . 1 1 10 10 PHE CA C 10 56.552 56.552 57.676 -1.124 17884 465 1 12 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.992 -2.203 17884 466 1 12 . 1 1 10 10 PHE H H 10 7.964 7.964 6.804 1.160 17884 467 1 12 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.363 -0.252 17884 468 1 12 . 1 1 11 11 GLU H H 11 8.353 8.353 7.817 0.536 17884 469 1 12 . 1 1 12 12 VAL HA H 12 3.831 3.831 4.054 -0.223 17884 470 1 12 . 1 1 12 12 VAL CA C 12 61.507 61.507 61.814 -0.307 17884 471 1 12 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.825 -2.146 17884 472 1 12 . 1 1 12 12 VAL H H 12 8.152 8.152 7.818 0.334 17884 473 1 12 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.256 -0.163 17884 474 1 12 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.390 -1.758 17884 475 1 12 . 1 1 13 13 ARG H H 13 8.158 8.158 8.745 -0.587 17884 476 1 12 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.432 0.099 17884 477 1 12 . 1 1 14 14 HIS H H 14 8.287 8.287 7.610 0.677 17884 478 1 12 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.317 -0.159 17884 479 1 12 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.222 -2.212 17884 480 1 12 . 1 1 15 15 GLN H H 15 8.286 8.286 8.837 -0.551 17884 481 1 13 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.280 0.817 17884 482 1 13 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.502 -1.564 17884 483 1 13 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.743 -2.474 17884 484 1 13 . 1 1 2 2 ALA H H 2 8.360 8.360 8.082 0.278 17884 485 1 13 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.180 -0.140 17884 486 1 13 . 1 1 3 3 GLU H H 3 8.289 8.289 8.248 0.041 17884 487 1 13 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.275 0.090 17884 488 1 13 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.739 -0.242 17884 489 1 13 . 1 1 4 4 PHE H H 4 8.238 8.238 7.366 0.872 17884 490 1 13 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.770 -1.426 17884 491 1 13 . 1 1 5 5 GLY H H 5 8.353 8.353 7.502 0.851 17884 492 1 13 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.686 0.744 17884 493 1 13 . 1 1 6 6 HIS H H 6 8.090 8.090 7.648 0.442 17884 494 1 13 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.310 0.174 17884 495 1 13 . 1 1 7 7 ASP CA C 7 52.317 52.317 56.417 -4.100 17884 496 1 13 . 1 1 7 7 ASP H H 7 8.425 8.425 7.740 0.685 17884 497 1 13 . 1 1 8 8 SER HA H 8 4.188 4.188 3.911 0.277 17884 498 1 13 . 1 1 8 8 SER CA C 8 57.528 57.528 57.793 -0.265 17884 499 1 13 . 1 1 8 8 SER CB C 8 61.930 61.930 64.233 -2.303 17884 500 1 13 . 1 1 8 8 SER H H 8 8.353 8.353 7.688 0.665 17884 501 1 13 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.798 -1.282 17884 502 1 13 . 1 1 9 9 GLY H H 9 8.420 8.420 8.411 0.009 17884 503 1 13 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.397 -0.007 17884 504 1 13 . 1 1 10 10 PHE CA C 10 56.552 56.552 60.010 -3.458 17884 505 1 13 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.658 -0.868 17884 506 1 13 . 1 1 10 10 PHE H H 10 7.964 7.964 7.513 0.451 17884 507 1 13 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.298 -0.187 17884 508 1 13 . 1 1 11 11 GLU H H 11 8.353 8.353 7.545 0.808 17884 509 1 13 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.932 -0.101 17884 510 1 13 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.197 -0.690 17884 511 1 13 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.507 -1.828 17884 512 1 13 . 1 1 12 12 VAL H H 12 8.152 8.152 8.023 0.129 17884 513 1 13 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.510 -0.417 17884 514 1 13 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.268 -0.636 17884 515 1 13 . 1 1 13 13 ARG H H 13 8.158 8.158 8.350 -0.192 17884 516 1 13 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.392 0.139 17884 517 1 13 . 1 1 14 14 HIS H H 14 8.287 8.287 8.605 -0.318 17884 518 1 13 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.638 -0.480 17884 519 1 13 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.892 -0.883 17884 520 1 13 . 1 1 15 15 GLN H H 15 8.286 8.286 8.880 -0.594 17884 521 1 14 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.357 0.740 17884 522 1 14 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.514 -1.576 17884 523 1 14 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.818 -0.549 17884 524 1 14 . 1 1 2 2 ALA H H 2 8.360 8.360 8.572 -0.212 17884 525 1 14 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.258 -0.218 17884 526 1 14 . 1 1 3 3 GLU H H 3 8.289 8.289 8.645 -0.356 17884 527 1 14 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.339 0.026 17884 528 1 14 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.025 -0.528 17884 529 1 14 . 1 1 4 4 PHE H H 4 8.238 8.238 7.907 0.332 17884 530 1 14 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.717 -1.373 17884 531 1 14 . 1 1 5 5 GLY H H 5 8.353 8.353 7.300 1.053 17884 532 1 14 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.801 -0.371 17884 533 1 14 . 1 1 6 6 HIS H H 6 8.090 8.090 7.351 0.739 17884 534 1 14 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.364 0.120 17884 535 1 14 . 1 1 7 7 ASP CA C 7 52.317 52.317 55.071 -2.754 17884 536 1 14 . 1 1 7 7 ASP H H 7 8.425 8.425 8.075 0.350 17884 537 1 14 . 1 1 8 8 SER HA H 8 4.188 4.188 4.400 -0.212 17884 538 1 14 . 1 1 8 8 SER CA C 8 57.528 57.528 58.344 -0.816 17884 539 1 14 . 1 1 8 8 SER CB C 8 61.930 61.930 66.005 -4.075 17884 540 1 14 . 1 1 8 8 SER H H 8 8.353 8.353 7.771 0.582 17884 541 1 14 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.247 -1.730 17884 542 1 14 . 1 1 9 9 GLY H H 9 8.420 8.420 8.001 0.419 17884 543 1 14 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.250 0.140 17884 544 1 14 . 1 1 10 10 PHE CA C 10 56.552 56.552 60.150 -3.598 17884 545 1 14 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.782 -0.992 17884 546 1 14 . 1 1 10 10 PHE H H 10 7.964 7.964 7.400 0.564 17884 547 1 14 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.268 -0.157 17884 548 1 14 . 1 1 11 11 GLU H H 11 8.353 8.353 7.410 0.943 17884 549 1 14 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.776 0.055 17884 550 1 14 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.269 -1.762 17884 551 1 14 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.473 -1.794 17884 552 1 14 . 1 1 12 12 VAL H H 12 8.152 8.152 7.817 0.335 17884 553 1 14 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.203 -0.110 17884 554 1 14 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.952 -2.320 17884 555 1 14 . 1 1 13 13 ARG H H 13 8.158 8.158 8.609 -0.451 17884 556 1 14 . 1 1 14 14 HIS HA H 14 4.531 4.531 5.011 -0.480 17884 557 1 14 . 1 1 14 14 HIS H H 14 8.287 8.287 7.840 0.447 17884 558 1 14 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.428 -0.270 17884 559 1 14 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.799 -0.789 17884 560 1 14 . 1 1 15 15 GLN H H 15 8.286 8.286 8.436 -0.150 17884 561 1 15 . 1 1 2 2 ALA HA H 2 4.097 4.097 4.455 -0.358 17884 562 1 15 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.946 -2.008 17884 563 1 15 . 1 1 2 2 ALA CB C 2 17.269 17.269 20.003 -2.734 17884 564 1 15 . 1 1 2 2 ALA H H 2 8.360 8.360 8.488 -0.128 17884 565 1 15 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.168 -0.128 17884 566 1 15 . 1 1 3 3 GLU H H 3 8.289 8.289 8.848 -0.559 17884 567 1 15 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.351 0.014 17884 568 1 15 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.599 -1.102 17884 569 1 15 . 1 1 4 4 PHE H H 4 8.238 8.238 7.843 0.395 17884 570 1 15 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.787 -1.443 17884 571 1 15 . 1 1 5 5 GLY H H 5 8.353 8.353 6.627 1.726 17884 572 1 15 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.294 0.136 17884 573 1 15 . 1 1 6 6 HIS H H 6 8.090 8.090 7.375 0.715 17884 574 1 15 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.371 0.113 17884 575 1 15 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.867 -0.550 17884 576 1 15 . 1 1 7 7 ASP H H 7 8.425 8.425 7.398 1.027 17884 577 1 15 . 1 1 8 8 SER HA H 8 4.188 4.188 3.709 0.479 17884 578 1 15 . 1 1 8 8 SER CA C 8 57.528 57.528 58.036 -0.508 17884 579 1 15 . 1 1 8 8 SER CB C 8 61.930 61.930 62.660 -0.730 17884 580 1 15 . 1 1 8 8 SER H H 8 8.353 8.353 7.974 0.379 17884 581 1 15 . 1 1 9 9 GLY CA C 9 43.517 43.517 44.214 -0.697 17884 582 1 15 . 1 1 9 9 GLY H H 9 8.420 8.420 7.407 1.013 17884 583 1 15 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.721 -0.331 17884 584 1 15 . 1 1 10 10 PHE CA C 10 56.552 56.552 56.834 -0.282 17884 585 1 15 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.543 -0.753 17884 586 1 15 . 1 1 10 10 PHE H H 10 7.964 7.964 7.028 0.936 17884 587 1 15 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.409 -0.298 17884 588 1 15 . 1 1 11 11 GLU H H 11 8.353 8.353 8.108 0.245 17884 589 1 15 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.964 -0.133 17884 590 1 15 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.336 -0.829 17884 591 1 15 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.864 -2.186 17884 592 1 15 . 1 1 12 12 VAL H H 12 8.152 8.152 8.215 -0.063 17884 593 1 15 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.261 -0.168 17884 594 1 15 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.214 -1.582 17884 595 1 15 . 1 1 13 13 ARG H H 13 8.158 8.158 8.268 -0.110 17884 596 1 15 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.339 0.192 17884 597 1 15 . 1 1 14 14 HIS H H 14 8.287 8.287 8.882 -0.595 17884 598 1 15 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.144 0.014 17884 599 1 15 . 1 1 15 15 GLN CA C 15 54.010 54.010 57.485 -3.475 17884 600 1 15 . 1 1 15 15 GLN H H 15 8.286 8.286 8.087 0.199 17884 601 1 16 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.723 0.374 17884 602 1 16 . 1 1 2 2 ALA CA C 2 50.938 50.938 51.872 -0.934 17884 603 1 16 . 1 1 2 2 ALA CB C 2 17.269 17.269 18.608 -1.339 17884 604 1 16 . 1 1 2 2 ALA H H 2 8.360 8.360 8.002 0.358 17884 605 1 16 . 1 1 3 3 GLU HA H 3 4.040 4.040 3.895 0.145 17884 606 1 16 . 1 1 3 3 GLU H H 3 8.289 8.289 8.658 -0.369 17884 607 1 16 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.327 0.038 17884 608 1 16 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.232 -0.735 17884 609 1 16 . 1 1 4 4 PHE H H 4 8.238 8.238 7.575 0.663 17884 610 1 16 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.802 -1.458 17884 611 1 16 . 1 1 5 5 GLY H H 5 8.353 8.353 7.625 0.728 17884 612 1 16 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.404 0.026 17884 613 1 16 . 1 1 6 6 HIS H H 6 8.090 8.090 7.581 0.509 17884 614 1 16 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.184 0.300 17884 615 1 16 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.015 0.302 17884 616 1 16 . 1 1 7 7 ASP H H 7 8.425 8.425 6.773 1.652 17884 617 1 16 . 1 1 8 8 SER HA H 8 4.188 4.188 4.363 -0.175 17884 618 1 16 . 1 1 8 8 SER CA C 8 57.528 57.528 57.762 -0.234 17884 619 1 16 . 1 1 8 8 SER CB C 8 61.930 61.930 64.137 -2.207 17884 620 1 16 . 1 1 8 8 SER H H 8 8.353 8.353 7.960 0.393 17884 621 1 16 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.404 -1.887 17884 622 1 16 . 1 1 9 9 GLY H H 9 8.420 8.420 7.670 0.750 17884 623 1 16 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.833 -0.443 17884 624 1 16 . 1 1 10 10 PHE CA C 10 56.552 56.552 56.697 -0.145 17884 625 1 16 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.589 -0.799 17884 626 1 16 . 1 1 10 10 PHE H H 10 7.964 7.964 7.005 0.959 17884 627 1 16 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.332 -0.221 17884 628 1 16 . 1 1 11 11 GLU H H 11 8.353 8.353 8.036 0.317 17884 629 1 16 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.900 -0.069 17884 630 1 16 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.943 -2.436 17884 631 1 16 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.254 -1.575 17884 632 1 16 . 1 1 12 12 VAL H H 12 8.152 8.152 8.310 -0.158 17884 633 1 16 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.357 -0.264 17884 634 1 16 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.644 -2.012 17884 635 1 16 . 1 1 13 13 ARG H H 13 8.158 8.158 8.504 -0.346 17884 636 1 16 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.711 -0.180 17884 637 1 16 . 1 1 14 14 HIS H H 14 8.287 8.287 8.248 0.039 17884 638 1 16 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.699 -0.541 17884 639 1 16 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.191 -1.181 17884 640 1 16 . 1 1 15 15 GLN H H 15 8.286 8.286 8.391 -0.105 17884 641 1 17 . 1 1 2 2 ALA HA H 2 4.097 4.097 4.215 -0.118 17884 642 1 17 . 1 1 2 2 ALA CA C 2 50.938 50.938 53.066 -2.128 17884 643 1 17 . 1 1 2 2 ALA CB C 2 17.269 17.269 18.172 -0.903 17884 644 1 17 . 1 1 2 2 ALA H H 2 8.360 8.360 8.587 -0.227 17884 645 1 17 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.079 -0.039 17884 646 1 17 . 1 1 3 3 GLU H H 3 8.289 8.289 8.908 -0.619 17884 647 1 17 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.310 0.055 17884 648 1 17 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.264 -0.767 17884 649 1 17 . 1 1 4 4 PHE H H 4 8.238 8.238 8.160 0.078 17884 650 1 17 . 1 1 5 5 GLY CA C 5 43.344 43.344 43.871 -0.527 17884 651 1 17 . 1 1 5 5 GLY H H 5 8.353 8.353 7.130 1.223 17884 652 1 17 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.784 0.646 17884 653 1 17 . 1 1 6 6 HIS H H 6 8.090 8.090 7.167 0.923 17884 654 1 17 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.335 0.149 17884 655 1 17 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.010 -0.693 17884 656 1 17 . 1 1 7 7 ASP H H 7 8.425 8.425 7.247 1.178 17884 657 1 17 . 1 1 8 8 SER HA H 8 4.188 4.188 3.651 0.537 17884 658 1 17 . 1 1 8 8 SER CA C 8 57.528 57.528 59.379 -1.851 17884 659 1 17 . 1 1 8 8 SER CB C 8 61.930 61.930 62.492 -0.562 17884 660 1 17 . 1 1 8 8 SER H H 8 8.353 8.353 8.130 0.223 17884 661 1 17 . 1 1 9 9 GLY CA C 9 43.517 43.517 46.240 -2.723 17884 662 1 17 . 1 1 9 9 GLY H H 9 8.420 8.420 7.923 0.497 17884 663 1 17 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.743 -0.353 17884 664 1 17 . 1 1 10 10 PHE CA C 10 56.552 56.552 55.688 0.864 17884 665 1 17 . 1 1 10 10 PHE CB C 10 37.790 37.790 37.853 -0.063 17884 666 1 17 . 1 1 10 10 PHE H H 10 7.964 7.964 7.694 0.270 17884 667 1 17 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.349 -0.238 17884 668 1 17 . 1 1 11 11 GLU H H 11 8.353 8.353 7.987 0.366 17884 669 1 17 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.968 -0.137 17884 670 1 17 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.922 -2.416 17884 671 1 17 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.676 -1.997 17884 672 1 17 . 1 1 12 12 VAL H H 12 8.152 8.152 8.439 -0.287 17884 673 1 17 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.436 -0.343 17884 674 1 17 . 1 1 13 13 ARG CA C 13 54.632 54.632 56.034 -1.402 17884 675 1 17 . 1 1 13 13 ARG H H 13 8.158 8.158 8.621 -0.463 17884 676 1 17 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.713 -0.182 17884 677 1 17 . 1 1 14 14 HIS H H 14 8.287 8.287 8.055 0.232 17884 678 1 17 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.583 -0.425 17884 679 1 17 . 1 1 15 15 GLN CA C 15 54.010 54.010 54.922 -0.912 17884 680 1 17 . 1 1 15 15 GLN H H 15 8.286 8.286 8.456 -0.170 17884 681 1 18 . 1 1 2 2 ALA HA H 2 4.097 4.097 4.317 -0.220 17884 682 1 18 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.474 -1.536 17884 683 1 18 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.694 -2.425 17884 684 1 18 . 1 1 2 2 ALA H H 2 8.360 8.360 8.311 0.049 17884 685 1 18 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.246 -0.206 17884 686 1 18 . 1 1 3 3 GLU H H 3 8.289 8.289 9.039 -0.750 17884 687 1 18 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.295 0.070 17884 688 1 18 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.439 -0.942 17884 689 1 18 . 1 1 4 4 PHE H H 4 8.238 8.238 8.083 0.155 17884 690 1 18 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.328 -0.984 17884 691 1 18 . 1 1 5 5 GLY H H 5 8.353 8.353 6.785 1.568 17884 692 1 18 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.105 0.325 17884 693 1 18 . 1 1 6 6 HIS H H 6 8.090 8.090 7.619 0.471 17884 694 1 18 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.027 0.457 17884 695 1 18 . 1 1 7 7 ASP CA C 7 52.317 52.317 52.788 -0.471 17884 696 1 18 . 1 1 7 7 ASP H H 7 8.425 8.425 6.786 1.639 17884 697 1 18 . 1 1 8 8 SER HA H 8 4.188 4.188 4.480 -0.292 17884 698 1 18 . 1 1 8 8 SER CA C 8 57.528 57.528 58.154 -0.626 17884 699 1 18 . 1 1 8 8 SER CB C 8 61.930 61.930 64.719 -2.789 17884 700 1 18 . 1 1 8 8 SER H H 8 8.353 8.353 7.951 0.402 17884 701 1 18 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.504 -1.987 17884 702 1 18 . 1 1 9 9 GLY H H 9 8.420 8.420 7.278 1.142 17884 703 1 18 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.488 -0.098 17884 704 1 18 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.813 -2.261 17884 705 1 18 . 1 1 10 10 PHE CB C 10 37.790 37.790 38.579 -0.789 17884 706 1 18 . 1 1 10 10 PHE H H 10 7.964 7.964 6.995 0.969 17884 707 1 18 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.306 -0.195 17884 708 1 18 . 1 1 11 11 GLU H H 11 8.353 8.353 8.136 0.217 17884 709 1 18 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.984 -0.153 17884 710 1 18 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.147 -0.640 17884 711 1 18 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.176 -1.498 17884 712 1 18 . 1 1 12 12 VAL H H 12 8.152 8.152 8.186 -0.034 17884 713 1 18 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.470 -0.377 17884 714 1 18 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.282 0.350 17884 715 1 18 . 1 1 13 13 ARG H H 13 8.158 8.158 8.454 -0.296 17884 716 1 18 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.409 0.122 17884 717 1 18 . 1 1 14 14 HIS H H 14 8.287 8.287 8.549 -0.262 17884 718 1 18 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.509 -0.351 17884 719 1 18 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.355 -1.345 17884 720 1 18 . 1 1 15 15 GLN H H 15 8.286 8.286 8.662 -0.376 17884 721 1 19 . 1 1 2 2 ALA HA H 2 4.097 4.097 2.852 1.245 17884 722 1 19 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.254 -1.316 17884 723 1 19 . 1 1 2 2 ALA CB C 2 17.269 17.269 17.686 -0.417 17884 724 1 19 . 1 1 2 2 ALA H H 2 8.360 8.360 7.938 0.422 17884 725 1 19 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.282 -0.242 17884 726 1 19 . 1 1 3 3 GLU H H 3 8.289 8.289 8.444 -0.155 17884 727 1 19 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.313 0.052 17884 728 1 19 . 1 1 4 4 PHE CB C 4 37.497 37.497 37.762 -0.265 17884 729 1 19 . 1 1 4 4 PHE H H 4 8.238 8.238 7.651 0.587 17884 730 1 19 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.645 -1.301 17884 731 1 19 . 1 1 5 5 GLY H H 5 8.353 8.353 7.491 0.862 17884 732 1 19 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.582 -0.152 17884 733 1 19 . 1 1 6 6 HIS H H 6 8.090 8.090 7.350 0.740 17884 734 1 19 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.335 0.149 17884 735 1 19 . 1 1 7 7 ASP CA C 7 52.317 52.317 56.383 -4.066 17884 736 1 19 . 1 1 7 7 ASP H H 7 8.425 8.425 8.402 0.023 17884 737 1 19 . 1 1 8 8 SER HA H 8 4.188 4.188 4.524 -0.336 17884 738 1 19 . 1 1 8 8 SER CA C 8 57.528 57.528 58.719 -1.191 17884 739 1 19 . 1 1 8 8 SER CB C 8 61.930 61.930 64.660 -2.730 17884 740 1 19 . 1 1 8 8 SER H H 8 8.353 8.353 7.558 0.795 17884 741 1 19 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.961 -2.444 17884 742 1 19 . 1 1 9 9 GLY H H 9 8.420 8.420 8.281 0.139 17884 743 1 19 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.632 -0.242 17884 744 1 19 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.217 -1.665 17884 745 1 19 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.850 -2.060 17884 746 1 19 . 1 1 10 10 PHE H H 10 7.964 7.964 7.104 0.861 17884 747 1 19 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.274 -0.163 17884 748 1 19 . 1 1 11 11 GLU H H 11 8.353 8.353 7.741 0.612 17884 749 1 19 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.824 0.007 17884 750 1 19 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.221 -1.714 17884 751 1 19 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.075 -1.396 17884 752 1 19 . 1 1 12 12 VAL H H 12 8.152 8.152 7.640 0.512 17884 753 1 19 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.374 -0.281 17884 754 1 19 . 1 1 13 13 ARG CA C 13 54.632 54.632 54.820 -0.188 17884 755 1 19 . 1 1 13 13 ARG H H 13 8.158 8.158 8.047 0.111 17884 756 1 19 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.062 0.469 17884 757 1 19 . 1 1 14 14 HIS H H 14 8.287 8.287 9.061 -0.774 17884 758 1 19 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.497 -0.339 17884 759 1 19 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.101 -1.091 17884 760 1 19 . 1 1 15 15 GLN H H 15 8.286 8.286 8.178 0.108 17884 761 1 20 . 1 1 2 2 ALA HA H 2 4.097 4.097 3.757 0.340 17884 762 1 20 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.093 -1.155 17884 763 1 20 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.266 -1.997 17884 764 1 20 . 1 1 2 2 ALA H H 2 8.360 8.360 8.134 0.226 17884 765 1 20 . 1 1 3 3 GLU HA H 3 4.040 4.040 3.954 0.086 17884 766 1 20 . 1 1 3 3 GLU H H 3 8.289 8.289 8.680 -0.391 17884 767 1 20 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.323 0.042 17884 768 1 20 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.320 -0.823 17884 769 1 20 . 1 1 4 4 PHE H H 4 8.238 8.238 7.412 0.826 17884 770 1 20 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.556 -1.212 17884 771 1 20 . 1 1 5 5 GLY H H 5 8.353 8.353 7.300 1.053 17884 772 1 20 . 1 1 6 6 HIS HA H 6 4.430 4.430 3.462 0.968 17884 773 1 20 . 1 1 6 6 HIS H H 6 8.090 8.090 7.263 0.827 17884 774 1 20 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.458 0.026 17884 775 1 20 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.249 -0.932 17884 776 1 20 . 1 1 7 7 ASP H H 7 8.425 8.425 7.493 0.932 17884 777 1 20 . 1 1 8 8 SER HA H 8 4.188 4.188 4.395 -0.207 17884 778 1 20 . 1 1 8 8 SER CA C 8 57.528 57.528 58.272 -0.744 17884 779 1 20 . 1 1 8 8 SER CB C 8 61.930 61.930 64.446 -2.516 17884 780 1 20 . 1 1 8 8 SER H H 8 8.353 8.353 7.938 0.415 17884 781 1 20 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.786 -2.269 17884 782 1 20 . 1 1 9 9 GLY H H 9 8.420 8.420 8.284 0.136 17884 783 1 20 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.987 -0.597 17884 784 1 20 . 1 1 10 10 PHE CA C 10 56.552 56.552 55.796 0.756 17884 785 1 20 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.489 -1.698 17884 786 1 20 . 1 1 10 10 PHE H H 10 7.964 7.964 6.800 1.164 17884 787 1 20 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.320 -0.209 17884 788 1 20 . 1 1 11 11 GLU H H 11 8.353 8.353 7.981 0.372 17884 789 1 20 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.806 0.025 17884 790 1 20 . 1 1 12 12 VAL CA C 12 61.507 61.507 63.397 -1.889 17884 791 1 20 . 1 1 12 12 VAL CB C 12 30.679 30.679 31.952 -1.273 17884 792 1 20 . 1 1 12 12 VAL H H 12 8.152 8.152 8.105 0.047 17884 793 1 20 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.577 -0.484 17884 794 1 20 . 1 1 13 13 ARG CA C 13 54.632 54.632 53.965 0.666 17884 795 1 20 . 1 1 13 13 ARG H H 13 8.158 8.158 8.229 -0.071 17884 796 1 20 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.470 0.061 17884 797 1 20 . 1 1 14 14 HIS H H 14 8.287 8.287 8.505 -0.218 17884 798 1 20 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.233 -0.075 17884 799 1 20 . 1 1 15 15 GLN CA C 15 54.010 54.010 56.674 -2.664 17884 800 1 20 . 1 1 15 15 GLN H H 15 8.286 8.286 8.277 0.009 17884 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 17884 2 1 1 "Average Difference" HA 16 0.267 0.136 0.237 17884 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17884 4 1 1 "Average Difference" CA 9 1.778 1.468 1.064 17884 5 1 1 "Average Difference" CB 5 2.185 1.893 1.220 17884 6 1 1 "Average Difference" HN 14 0.581 -0.257 0.541 17884 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17884 8 1 2 "Average Difference" HA 16 0.337 0.177 0.297 17884 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17884 10 1 2 "Average Difference" CA 9 1.382 1.020 0.990 17884 11 1 2 "Average Difference" CB 5 1.793 1.609 0.883 17884 12 1 2 "Average Difference" HN 14 0.560 -0.305 0.487 17884 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17884 14 1 3 "Average Difference" HA 16 0.332 0.115 0.321 17884 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17884 16 1 3 "Average Difference" CA 9 1.558 1.269 0.959 17884 17 1 3 "Average Difference" CB 5 1.410 1.370 0.375 17884 18 1 3 "Average Difference" HN 14 0.581 -0.282 0.527 17884 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17884 20 1 4 "Average Difference" HA 16 0.315 0.045 0.322 17884 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17884 22 1 4 "Average Difference" CA 9 2.099 1.793 1.159 17884 23 1 4 "Average Difference" CB 5 1.797 1.616 0.880 17884 24 1 4 "Average Difference" HN 14 0.583 -0.312 0.511 17884 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17884 26 1 5 "Average Difference" HA 16 0.331 0.130 0.315 17884 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17884 28 1 5 "Average Difference" CA 9 1.591 1.419 0.765 17884 29 1 5 "Average Difference" CB 5 1.741 1.661 0.583 17884 30 1 5 "Average Difference" HN 14 0.670 -0.336 0.601 17884 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17884 32 1 6 "Average Difference" HA 16 0.419 -0.004 0.433 17884 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17884 34 1 6 "Average Difference" CA 9 1.790 1.480 1.068 17884 35 1 6 "Average Difference" CB 5 1.288 1.059 0.819 17884 36 1 6 "Average Difference" HN 14 0.572 -0.291 0.511 17884 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17884 38 1 7 "Average Difference" HA 16 0.335 0.157 0.306 17884 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17884 40 1 7 "Average Difference" CA 9 1.485 1.388 0.562 17884 41 1 7 "Average Difference" CB 5 1.776 1.616 0.824 17884 42 1 7 "Average Difference" HN 14 0.655 -0.322 0.592 17884 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17884 44 1 8 "Average Difference" HA 16 0.340 0.081 0.341 17884 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17884 46 1 8 "Average Difference" CA 9 1.394 1.244 0.667 17884 47 1 8 "Average Difference" CB 5 1.415 1.303 0.616 17884 48 1 8 "Average Difference" HN 14 0.630 -0.336 0.553 17884 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17884 50 1 9 "Average Difference" HA 16 0.252 0.103 0.238 17884 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17884 52 1 9 "Average Difference" CA 9 1.934 1.621 1.118 17884 53 1 9 "Average Difference" CB 5 1.970 1.774 0.958 17884 54 1 9 "Average Difference" HN 14 0.666 -0.316 0.608 17884 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17884 56 1 10 "Average Difference" HA 16 0.305 0.090 0.301 17884 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17884 58 1 10 "Average Difference" CA 9 1.636 1.247 1.123 17884 59 1 10 "Average Difference" CB 5 1.515 1.457 0.466 17884 60 1 10 "Average Difference" HN 14 0.523 -0.276 0.460 17884 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17884 62 1 11 "Average Difference" HA 16 0.369 0.072 0.374 17884 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17884 64 1 11 "Average Difference" CA 9 1.368 1.129 0.820 17884 65 1 11 "Average Difference" CB 5 1.534 1.137 1.151 17884 66 1 11 "Average Difference" HN 14 0.590 -0.350 0.493 17884 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17884 68 1 12 "Average Difference" HA 16 0.268 0.157 0.224 17884 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17884 70 1 12 "Average Difference" CA 9 1.586 1.439 0.707 17884 71 1 12 "Average Difference" CB 5 1.916 1.814 0.690 17884 72 1 12 "Average Difference" HN 14 0.825 -0.518 0.666 17884 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17884 74 1 13 "Average Difference" HA 16 0.380 0.020 0.392 17884 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17884 76 1 13 "Average Difference" CA 9 2.017 1.589 1.318 17884 77 1 13 "Average Difference" CB 5 1.765 1.543 0.958 17884 78 1 13 "Average Difference" HN 14 0.537 -0.295 0.466 17884 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17884 80 1 14 "Average Difference" HA 16 0.312 0.094 0.307 17884 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17884 82 1 14 "Average Difference" CA 9 2.046 1.858 0.909 17884 83 1 14 "Average Difference" CB 5 2.068 1.588 1.482 17884 84 1 14 "Average Difference" HN 14 0.555 -0.328 0.465 17884 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17884 86 1 15 "Average Difference" HA 16 0.221 0.065 0.218 17884 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17884 88 1 15 "Average Difference" CA 9 1.581 1.264 1.008 17884 89 1 15 "Average Difference" CB 5 1.707 1.501 0.909 17884 90 1 15 "Average Difference" HN 14 0.734 -0.370 0.658 17884 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17884 92 1 16 "Average Difference" HA 16 0.303 0.110 0.291 17884 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17884 94 1 16 "Average Difference" CA 9 1.418 1.109 0.937 17884 95 1 16 "Average Difference" CB 5 1.437 1.331 0.605 17884 96 1 16 "Average Difference" HN 14 0.661 -0.385 0.557 17884 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17884 98 1 17 "Average Difference" HA 16 0.296 0.043 0.303 17884 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17884 100 1 17 "Average Difference" CA 9 1.684 1.310 1.122 17884 101 1 17 "Average Difference" CB 5 1.069 0.858 0.712 17884 102 1 17 "Average Difference" HN 14 0.601 -0.230 0.576 17884 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17884 104 1 18 "Average Difference" HA 16 0.258 0.091 0.249 17884 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17884 106 1 18 "Average Difference" CA 9 1.306 1.056 0.815 17884 107 1 18 "Average Difference" CB 5 1.866 1.689 0.888 17884 108 1 18 "Average Difference" HN 14 0.789 -0.350 0.734 17884 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17884 110 1 19 "Average Difference" HA 16 0.401 0.041 0.412 17884 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17884 112 1 19 "Average Difference" CA 9 1.952 1.664 1.082 17884 113 1 19 "Average Difference" CB 5 1.667 1.374 1.055 17884 114 1 19 "Average Difference" HN 14 0.566 -0.346 0.465 17884 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17884 116 1 20 "Average Difference" HA 16 0.375 0.044 0.385 17884 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17884 118 1 20 "Average Difference" CA 9 1.530 1.049 1.181 17884 119 1 20 "Average Difference" CB 5 1.761 1.661 0.652 17884 120 1 20 "Average Difference" HN 14 0.614 -0.380 0.501 17884 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 17884 _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 ALA HA H 2 4.097 4.097 3.615 0.482 17884 2 1 . 1 1 2 2 ALA CA C 2 50.938 50.938 52.395 -1.457 17884 3 1 . 1 1 2 2 ALA CB C 2 17.269 17.269 19.128 -1.859 17884 4 1 . 1 1 2 2 ALA H H 2 8.360 8.360 8.203 0.158 17884 5 1 . 1 1 3 3 GLU HA H 3 4.040 4.040 4.230 -0.190 17884 6 1 . 1 1 3 3 GLU H H 3 8.289 8.289 8.622 -0.333 17884 7 1 . 1 1 4 4 PHE HA H 4 4.365 4.365 4.341 0.024 17884 8 1 . 1 1 4 4 PHE CB C 4 37.497 37.497 38.129 -0.632 17884 9 1 . 1 1 4 4 PHE H H 4 8.238 8.238 7.636 0.602 17884 10 1 . 1 1 5 5 GLY CA C 5 43.344 43.344 44.791 -1.446 17884 11 1 . 1 1 5 5 GLY H H 5 8.353 8.353 7.382 0.971 17884 12 1 . 1 1 6 6 HIS HA H 6 4.430 4.430 4.223 0.207 17884 13 1 . 1 1 6 6 HIS H H 6 8.090 8.090 7.392 0.698 17884 14 1 . 1 1 7 7 ASP HA H 7 4.484 4.484 4.336 0.148 17884 15 1 . 1 1 7 7 ASP CA C 7 52.317 52.317 53.995 -1.678 17884 16 1 . 1 1 7 7 ASP H H 7 8.425 8.425 7.688 0.737 17884 17 1 . 1 1 8 8 SER HA H 8 4.188 4.188 4.186 0.002 17884 18 1 . 1 1 8 8 SER CA C 8 57.528 57.528 58.349 -0.821 17884 19 1 . 1 1 8 8 SER CB C 8 61.930 61.930 63.986 -2.056 17884 20 1 . 1 1 8 8 SER H H 8 8.353 8.353 7.601 0.752 17884 21 1 . 1 1 9 9 GLY CA C 9 43.517 43.517 45.320 -1.803 17884 22 1 . 1 1 9 9 GLY H H 9 8.420 8.420 7.995 0.425 17884 23 1 . 1 1 10 10 PHE HA H 10 4.390 4.390 4.678 -0.288 17884 24 1 . 1 1 10 10 PHE CA C 10 56.552 56.552 58.142 -1.590 17884 25 1 . 1 1 10 10 PHE CB C 10 37.790 37.790 39.050 -1.260 17884 26 1 . 1 1 10 10 PHE H H 10 7.964 7.964 7.239 0.725 17884 27 1 . 1 1 11 11 GLU HA H 11 4.111 4.111 4.335 -0.224 17884 28 1 . 1 1 11 11 GLU H H 11 8.353 8.353 7.822 0.531 17884 29 1 . 1 1 12 12 VAL HA H 12 3.831 3.831 3.897 -0.066 17884 30 1 . 1 1 12 12 VAL CA C 12 61.507 61.507 62.820 -1.313 17884 31 1 . 1 1 12 12 VAL CB C 12 30.679 30.679 32.335 -1.656 17884 32 1 . 1 1 12 12 VAL H H 12 8.152 8.152 8.039 0.113 17884 33 1 . 1 1 13 13 ARG HA H 13 4.093 4.093 4.351 -0.258 17884 34 1 . 1 1 13 13 ARG CA C 13 54.632 54.632 55.239 -0.607 17884 35 1 . 1 1 13 13 ARG H H 13 8.158 8.158 8.376 -0.218 17884 36 1 . 1 1 14 14 HIS HA H 14 4.531 4.531 4.413 0.118 17884 37 1 . 1 1 14 14 HIS H H 14 8.287 8.287 8.508 -0.221 17884 38 1 . 1 1 15 15 GLN HA H 15 4.158 4.158 4.413 -0.255 17884 39 1 . 1 1 15 15 GLN CA C 15 54.010 54.010 55.631 -1.621 17884 40 1 . 1 1 15 15 GLN H H 15 8.286 8.286 8.614 -0.328 17884 stop_ save_