data_16241_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16241
_Entry.PDB_ID 2KHG
_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 4 . 1 1 1 A 2 2 ALA H H 2 8.663 7.976 0.687 1
1 5 . 1 1 1 A 2 2 ALA HA H 2 4.329 4.026 0.303 1
1 9 . 1 1 1 A 2 2 ALA CA C 2 54.217 54.532 -0.315 1
1 10 . 1 1 1 A 2 2 ALA CB C 2 18.718 18.299 0.419 1
1 11 . 1 1 1 A 2 2 ALA N N 2 123.890 123.777 0.113 1
1 12 . 1 1 1 A 3 3 TRP H H 3 8.289 8.122 0.167 1
1 13 . 1 1 1 A 3 3 TRP HA H 3 4.629 4.480 0.149 1
1 22 . 1 1 1 A 3 3 TRP CB C 3 29.120 28.607 0.513 1
1 31 . 1 1 1 A 3 3 TRP N N 3 119.200 117.700 1.500 1
1 33 . 1 1 1 A 4 4 LYS H H 4 8.133 7.611 0.522 1
1 34 . 1 1 1 A 4 4 LYS HA H 4 4.160 3.851 0.309 1
1 46 . 1 1 1 A 4 4 LYS CA C 4 59.001 58.962 0.039 1
1 47 . 1 1 1 A 4 4 LYS CB C 4 32.524 31.115 1.409 1
1 51 . 1 1 1 A 5 5 ASN H H 5 8.141 7.913 0.228 1
1 52 . 1 1 1 A 5 5 ASN HA H 5 4.527 4.341 0.186 1
1 57 . 1 1 1 A 5 5 ASN CB C 5 37.852 39.339 -1.487 1
1 58 . 1 1 1 A 5 5 ASN N N 5 118.143 117.334 0.809 1
1 60 . 1 1 1 A 6 6 PHE H H 6 8.268 8.029 0.239 1
1 61 . 1 1 1 A 6 6 PHE HA H 6 4.233 4.173 0.060 1
1 69 . 1 1 1 A 6 6 PHE CA C 6 61.121 61.314 -0.193 1
1 70 . 1 1 1 A 6 6 PHE CB C 6 39.051 38.678 0.373 1
1 75 . 1 1 1 A 6 6 PHE N N 6 122.645 119.576 3.069 1
1 76 . 1 1 1 A 7 7 TRP H H 7 8.210 7.850 0.360 1
1 77 . 1 1 1 A 7 7 TRP HA H 7 4.218 4.534 -0.316 1
1 86 . 1 1 1 A 7 7 TRP CA C 7 57.537 60.819 -3.282 1
1 87 . 1 1 1 A 7 7 TRP CB C 7 29.031 29.116 -0.085 1
1 94 . 1 1 1 A 7 7 TRP N N 7 119.652 119.609 0.043 1
1 96 . 1 1 1 A 8 8 SER H H 8 8.313 8.287 0.026 1
1 97 . 1 1 1 A 8 8 SER HA H 8 4.211 4.121 0.090 1
1 100 . 1 1 1 A 8 8 SER CA C 8 60.128 61.701 -1.573 1
1 101 . 1 1 1 A 8 8 SER CB C 8 62.938 62.910 0.028 1
1 102 . 1 1 1 A 8 8 SER N N 8 113.442 115.606 -2.164 1
1 103 . 1 1 1 A 9 9 SER H H 9 7.864 7.623 0.241 1
1 104 . 1 1 1 A 9 9 SER HA H 9 4.255 4.121 0.134 1
1 107 . 1 1 1 A 9 9 SER CA C 9 61.797 62.377 -0.580 1
1 108 . 1 1 1 A 9 9 SER CB C 9 62.938 63.042 -0.104 1
1 109 . 1 1 1 A 9 9 SER N N 9 117.994 116.937 1.057 1
1 110 . 1 1 1 A 10 10 LEU H H 10 7.867 8.117 -0.250 1
1 111 . 1 1 1 A 10 10 LEU HA H 10 4.047 3.999 0.048 1
1 121 . 1 1 1 A 10 10 LEU CA C 10 57.592 58.202 -0.610 1
1 122 . 1 1 1 A 10 10 LEU CB C 10 41.896 41.639 0.257 1
1 126 . 1 1 1 A 10 10 LEU N N 10 124.116 121.141 2.975 1
1 127 . 1 1 1 A 11 11 ARG H H 11 7.975 8.409 -0.434 1
1 128 . 1 1 1 A 11 11 ARG HA H 11 4.051 4.105 -0.054 1
1 136 . 1 1 1 A 11 11 ARG CA C 11 58.881 60.053 -1.172 1
1 137 . 1 1 1 A 11 11 ARG CB C 11 29.959 30.169 -0.210 1
1 140 . 1 1 1 A 11 11 ARG N N 11 118.035 118.060 -0.025 1
1 142 . 1 1 1 A 12 12 LYS H H 12 7.928 7.736 0.192 1
1 143 . 1 1 1 A 12 12 LYS HA H 12 4.161 4.128 0.033 1
1 155 . 1 1 1 A 12 12 LYS CA C 12 59.020 59.327 -0.307 1
1 156 . 1 1 1 A 12 12 LYS CB C 12 32.512 32.335 0.177 1
1 160 . 1 1 1 A 12 12 LYS N N 12 118.806 119.501 -0.695 1
1 161 . 1 1 1 A 13 13 GLY H H 13 8.079 8.057 0.022 1
1 162 . 1 1 1 A 13 13 GLY HA2 H 13 3.890 3.632 0.258 1
1 163 . 1 1 1 A 13 13 GLY HA3 H 13 3.890 3.654 0.236 1
1 164 . 1 1 1 A 13 13 GLY CA C 13 46.369 47.387 -1.018 1
1 165 . 1 1 1 A 13 13 GLY N N 13 106.212 107.772 -1.560 1
1 166 . 1 1 1 A 14 14 PHE H H 14 8.135 8.513 -0.378 1
1 167 . 1 1 1 A 14 14 PHE HA H 14 4.436 4.147 0.289 1
1 175 . 1 1 1 A 14 14 PHE CA C 14 60.182 60.778 -0.596 1
1 176 . 1 1 1 A 14 14 PHE CB C 14 39.096 39.276 -0.180 1
1 180 . 1 1 1 A 15 15 TYR H H 15 8.230 8.175 0.055 1
1 181 . 1 1 1 A 15 15 TYR HA H 15 4.364 4.268 0.096 1
1 188 . 1 1 1 A 15 15 TYR CA C 15 60.249 60.301 -0.052 1
1 189 . 1 1 1 A 15 15 TYR CB C 15 38.313 38.504 -0.191 1
1 194 . 1 1 1 A 15 15 TYR N N 15 119.420 119.611 -0.191 1
1 195 . 1 1 1 A 16 16 ASP H H 16 8.516 7.678 0.838 1
1 196 . 1 1 1 A 16 16 ASP HA H 16 4.652 5.003 -0.351 1
1 199 . 1 1 1 A 16 16 ASP CB C 16 37.561 41.488 -3.927 1
1 200 . 1 1 1 A 16 16 ASP N N 16 118.037 119.298 -1.261 1
1 201 . 1 1 1 A 17 17 GLY H H 17 7.858 7.788 0.070 1
1 202 . 1 1 1 A 17 17 GLY HA2 H 17 3.971 3.917 0.054 1
1 203 . 1 1 1 A 17 17 GLY HA3 H 17 3.971 4.075 -0.104 1
1 204 . 1 1 1 A 17 17 GLY CA C 17 46.025 45.762 0.263 1
1 205 . 1 1 1 A 17 17 GLY N N 17 107.457 108.871 -1.414 1
1 206 . 1 1 1 A 18 18 GLU H H 18 8.087 7.330 0.757 1
1 207 . 1 1 1 A 18 18 GLU HA H 18 4.215 4.076 0.139 1
1 212 . 1 1 1 A 18 18 GLU CB C 18 28.150 30.150 -2.000 1
1 214 . 1 1 1 A 18 18 GLU N N 18 119.806 121.015 -1.209 1
1 215 . 1 1 1 A 19 19 ALA H H 19 8.176 8.326 -0.150 1
1 216 . 1 1 1 A 19 19 ALA HA H 19 4.154 4.275 -0.121 1
1 220 . 1 1 1 A 19 19 ALA CA C 19 54.191 54.819 -0.628 1
1 221 . 1 1 1 A 19 19 ALA CB C 19 17.953 18.420 -0.467 1
1 222 . 1 1 1 A 19 19 ALA N N 19 122.201 122.410 -0.209 1
1 223 . 1 1 1 A 20 20 GLY H H 20 8.049 8.450 -0.401 1
1 224 . 1 1 1 A 20 20 GLY HA2 H 20 3.918 3.927 -0.009 1
1 225 . 1 1 1 A 20 20 GLY HA3 H 20 3.918 3.950 -0.032 1
1 226 . 1 1 1 A 20 20 GLY CA C 20 46.090 46.973 -0.883 1
1 227 . 1 1 1 A 20 20 GLY N N 20 104.575 105.486 -0.911 1
1 228 . 1 1 1 A 21 21 ARG H H 21 7.723 7.542 0.181 1
1 229 . 1 1 1 A 21 21 ARG HA H 21 4.289 4.219 0.070 1
1 237 . 1 1 1 A 21 21 ARG CA C 21 57.263 57.666 -0.403 1
1 238 . 1 1 1 A 21 21 ARG CB C 21 30.701 31.739 -1.038 1
1 241 . 1 1 1 A 21 21 ARG N N 21 119.035 120.991 -1.956 1
1 243 . 1 1 1 A 22 22 ALA H H 22 7.954 7.234 0.720 1
1 244 . 1 1 1 A 22 22 ALA HA H 22 4.321 4.559 -0.238 1
1 248 . 1 1 1 A 22 22 ALA CA C 22 53.247 51.626 1.621 1
1 249 . 1 1 1 A 22 22 ALA CB C 22 18.221 22.330 -4.109 1
1 250 . 1 1 1 A 22 22 ALA N N 22 122.098 118.077 4.021 1
1 251 . 1 1 1 A 23 23 ILE H H 23 7.705 8.711 -1.006 1
1 252 . 1 1 1 A 23 23 ILE HA H 23 4.162 4.177 -0.015 1
1 262 . 1 1 1 A 23 23 ILE CA C 23 61.798 63.199 -1.401 1
1 263 . 1 1 1 A 23 23 ILE CB C 23 38.823 38.594 0.229 1
1 267 . 1 1 1 A 23 23 ILE N N 23 117.111 124.956 -7.845 1
1 268 . 1 1 1 A 24 24 ARG H H 24 7.926 8.032 -0.106 1
1 269 . 1 1 1 A 24 24 ARG HA H 24 4.407 4.496 -0.089 1
1 277 . 1 1 1 A 24 24 ARG CA C 24 55.977 56.530 -0.553 1
1 278 . 1 1 1 A 24 24 ARG CB C 24 30.582 32.508 -1.926 1
1 281 . 1 1 1 A 24 24 ARG N N 24 122.716 118.365 4.351 1
1 4 . 2 1 1 A 2 2 ALA H H 2 8.663 9.161 -0.498 1
1 5 . 2 1 1 A 2 2 ALA HA H 2 4.329 3.968 0.361 1
1 9 . 2 1 1 A 2 2 ALA CA C 2 54.217 54.611 -0.394 1
1 10 . 2 1 1 A 2 2 ALA CB C 2 18.718 18.393 0.325 1
1 11 . 2 1 1 A 2 2 ALA N N 2 123.890 123.570 0.320 1
1 12 . 2 1 1 A 3 3 TRP H H 3 8.289 8.199 0.090 1
1 13 . 2 1 1 A 3 3 TRP HA H 3 4.629 4.347 0.282 1
1 22 . 2 1 1 A 3 3 TRP CB C 3 29.120 28.112 1.008 1
1 31 . 2 1 1 A 3 3 TRP N N 3 119.200 117.705 1.495 1
1 33 . 2 1 1 A 4 4 LYS H H 4 8.133 7.332 0.801 1
1 34 . 2 1 1 A 4 4 LYS HA H 4 4.160 3.830 0.330 1
1 46 . 2 1 1 A 4 4 LYS CA C 4 59.001 58.782 0.219 1
1 47 . 2 1 1 A 4 4 LYS CB C 4 32.524 30.969 1.555 1
1 51 . 2 1 1 A 5 5 ASN H H 5 8.141 7.835 0.306 1
1 52 . 2 1 1 A 5 5 ASN HA H 5 4.527 4.324 0.203 1
1 57 . 2 1 1 A 5 5 ASN CB C 5 37.852 39.750 -1.898 1
1 58 . 2 1 1 A 5 5 ASN N N 5 118.143 117.334 0.809 1
1 60 . 2 1 1 A 6 6 PHE H H 6 8.268 7.957 0.311 1
1 61 . 2 1 1 A 6 6 PHE HA H 6 4.233 4.105 0.128 1
1 69 . 2 1 1 A 6 6 PHE CA C 6 61.121 61.242 -0.121 1
1 70 . 2 1 1 A 6 6 PHE CB C 6 39.051 38.670 0.381 1
1 75 . 2 1 1 A 6 6 PHE N N 6 122.645 119.673 2.972 1
1 76 . 2 1 1 A 7 7 TRP H H 7 8.210 7.551 0.659 1
1 77 . 2 1 1 A 7 7 TRP HA H 7 4.218 3.976 0.242 1
1 86 . 2 1 1 A 7 7 TRP CA C 7 57.537 60.494 -2.957 1
1 87 . 2 1 1 A 7 7 TRP CB C 7 29.031 28.791 0.240 1
1 94 . 2 1 1 A 7 7 TRP N N 7 119.652 119.157 0.495 1
1 96 . 2 1 1 A 8 8 SER H H 8 8.313 8.504 -0.191 1
1 97 . 2 1 1 A 8 8 SER HA H 8 4.211 4.350 -0.139 1
1 100 . 2 1 1 A 8 8 SER CA C 8 60.128 61.481 -1.353 1
1 101 . 2 1 1 A 8 8 SER CB C 8 62.938 62.290 0.648 1
1 102 . 2 1 1 A 8 8 SER N N 8 113.442 116.643 -3.201 1
1 103 . 2 1 1 A 9 9 SER H H 9 7.864 7.737 0.127 1
1 104 . 2 1 1 A 9 9 SER HA H 9 4.255 4.180 0.075 1
1 107 . 2 1 1 A 9 9 SER CA C 9 61.797 61.625 0.172 1
1 108 . 2 1 1 A 9 9 SER CB C 9 62.938 63.228 -0.290 1
1 109 . 2 1 1 A 9 9 SER N N 9 117.994 117.426 0.568 1
1 110 . 2 1 1 A 10 10 LEU H H 10 7.867 8.066 -0.199 1
1 111 . 2 1 1 A 10 10 LEU HA H 10 4.047 3.927 0.120 1
1 121 . 2 1 1 A 10 10 LEU CA C 10 57.592 58.073 -0.481 1
1 122 . 2 1 1 A 10 10 LEU CB C 10 41.896 41.386 0.510 1
1 126 . 2 1 1 A 10 10 LEU N N 10 124.116 121.445 2.671 1
1 127 . 2 1 1 A 11 11 ARG H H 11 7.975 8.233 -0.258 1
1 128 . 2 1 1 A 11 11 ARG HA H 11 4.051 3.971 0.080 1
1 136 . 2 1 1 A 11 11 ARG CA C 11 58.881 60.293 -1.412 1
1 137 . 2 1 1 A 11 11 ARG CB C 11 29.959 30.116 -0.157 1
1 140 . 2 1 1 A 11 11 ARG N N 11 118.035 119.296 -1.261 1
1 142 . 2 1 1 A 12 12 LYS H H 12 7.928 7.628 0.300 1
1 143 . 2 1 1 A 12 12 LYS HA H 12 4.161 4.140 0.021 1
1 155 . 2 1 1 A 12 12 LYS CA C 12 59.020 59.314 -0.294 1
1 156 . 2 1 1 A 12 12 LYS CB C 12 32.512 32.288 0.224 1
1 160 . 2 1 1 A 12 12 LYS N N 12 118.806 118.586 0.220 1
1 161 . 2 1 1 A 13 13 GLY H H 13 8.079 7.902 0.177 1
1 162 . 2 1 1 A 13 13 GLY HA2 H 13 3.890 3.688 0.202 1
1 163 . 2 1 1 A 13 13 GLY HA3 H 13 3.890 3.706 0.184 1
1 164 . 2 1 1 A 13 13 GLY CA C 13 46.369 47.405 -1.036 1
1 165 . 2 1 1 A 13 13 GLY N N 13 106.212 107.721 -1.509 1
1 166 . 2 1 1 A 14 14 PHE H H 14 8.135 8.079 0.056 1
1 167 . 2 1 1 A 14 14 PHE HA H 14 4.436 4.134 0.302 1
1 175 . 2 1 1 A 14 14 PHE CA C 14 60.182 60.587 -0.405 1
1 176 . 2 1 1 A 14 14 PHE CB C 14 39.096 39.158 -0.062 1
1 180 . 2 1 1 A 15 15 TYR H H 15 8.230 8.312 -0.082 1
1 181 . 2 1 1 A 15 15 TYR HA H 15 4.364 4.259 0.105 1
1 188 . 2 1 1 A 15 15 TYR CA C 15 60.249 60.756 -0.507 1
1 189 . 2 1 1 A 15 15 TYR CB C 15 38.313 38.768 -0.455 1
1 194 . 2 1 1 A 15 15 TYR N N 15 119.420 119.946 -0.526 1
1 195 . 2 1 1 A 16 16 ASP H H 16 8.516 7.554 0.962 1
1 196 . 2 1 1 A 16 16 ASP HA H 16 4.652 5.039 -0.387 1
1 199 . 2 1 1 A 16 16 ASP CB C 16 37.561 41.372 -3.811 1
1 200 . 2 1 1 A 16 16 ASP N N 16 118.037 118.683 -0.646 1
1 201 . 2 1 1 A 17 17 GLY H H 17 7.858 8.181 -0.323 1
1 202 . 2 1 1 A 17 17 GLY HA2 H 17 3.971 3.598 0.373 1
1 203 . 2 1 1 A 17 17 GLY HA3 H 17 3.971 3.715 0.256 1
1 204 . 2 1 1 A 17 17 GLY CA C 17 46.025 46.380 -0.355 1
1 205 . 2 1 1 A 17 17 GLY N N 17 107.457 108.607 -1.150 1
1 206 . 2 1 1 A 18 18 GLU H H 18 8.087 7.050 1.037 1
1 207 . 2 1 1 A 18 18 GLU HA H 18 4.215 4.009 0.206 1
1 212 . 2 1 1 A 18 18 GLU CB C 18 28.150 29.810 -1.660 1
1 214 . 2 1 1 A 18 18 GLU N N 18 119.806 120.993 -1.187 1
1 215 . 2 1 1 A 19 19 ALA H H 19 8.176 8.076 0.100 1
1 216 . 2 1 1 A 19 19 ALA HA H 19 4.154 4.178 -0.024 1
1 220 . 2 1 1 A 19 19 ALA CA C 19 54.191 54.678 -0.487 1
1 221 . 2 1 1 A 19 19 ALA CB C 19 17.953 18.491 -0.538 1
1 222 . 2 1 1 A 19 19 ALA N N 19 122.201 122.353 -0.152 1
1 223 . 2 1 1 A 20 20 GLY H H 20 8.049 8.225 -0.176 1
1 224 . 2 1 1 A 20 20 GLY HA2 H 20 3.918 3.840 0.078 1
1 225 . 2 1 1 A 20 20 GLY HA3 H 20 3.918 3.863 0.055 1
1 226 . 2 1 1 A 20 20 GLY CA C 20 46.090 46.965 -0.875 1
1 227 . 2 1 1 A 20 20 GLY N N 20 104.575 105.735 -1.160 1
1 228 . 2 1 1 A 21 21 ARG H H 21 7.723 7.249 0.474 1
1 229 . 2 1 1 A 21 21 ARG HA H 21 4.289 4.152 0.137 1
1 237 . 2 1 1 A 21 21 ARG CA C 21 57.263 57.816 -0.553 1
1 238 . 2 1 1 A 21 21 ARG CB C 21 30.701 31.560 -0.859 1
1 241 . 2 1 1 A 21 21 ARG N N 21 119.035 121.044 -2.009 1
1 243 . 2 1 1 A 22 22 ALA H H 22 7.954 7.047 0.907 1
1 244 . 2 1 1 A 22 22 ALA HA H 22 4.321 4.605 -0.284 1
1 248 . 2 1 1 A 22 22 ALA CA C 22 53.247 51.695 1.552 1
1 249 . 2 1 1 A 22 22 ALA CB C 22 18.221 22.450 -4.229 1
1 250 . 2 1 1 A 22 22 ALA N N 22 122.098 117.350 4.748 1
1 251 . 2 1 1 A 23 23 ILE H H 23 7.705 8.678 -0.973 1
1 252 . 2 1 1 A 23 23 ILE HA H 23 4.162 4.125 0.037 1
1 262 . 2 1 1 A 23 23 ILE CA C 23 61.798 63.144 -1.346 1
1 263 . 2 1 1 A 23 23 ILE CB C 23 38.823 38.802 0.021 1
1 267 . 2 1 1 A 23 23 ILE N N 23 117.111 124.270 -7.159 1
1 268 . 2 1 1 A 24 24 ARG H H 24 7.926 7.940 -0.014 1
1 269 . 2 1 1 A 24 24 ARG HA H 24 4.407 4.525 -0.118 1
1 277 . 2 1 1 A 24 24 ARG CA C 24 55.977 56.593 -0.616 1
1 278 . 2 1 1 A 24 24 ARG CB C 24 30.582 32.506 -1.924 1
1 281 . 2 1 1 A 24 24 ARG N N 24 122.716 118.651 4.065 1
1 4 . 3 1 1 A 2 2 ALA H H 2 8.663 7.937 0.726 1
1 5 . 3 1 1 A 2 2 ALA HA H 2 4.329 3.942 0.387 1
1 9 . 3 1 1 A 2 2 ALA CA C 2 54.217 54.443 -0.226 1
1 10 . 3 1 1 A 2 2 ALA CB C 2 18.718 18.497 0.221 1
1 11 . 3 1 1 A 2 2 ALA N N 2 123.890 121.875 2.015 1
1 12 . 3 1 1 A 3 3 TRP H H 3 8.289 8.017 0.272 1
1 13 . 3 1 1 A 3 3 TRP HA H 3 4.629 4.486 0.143 1
1 22 . 3 1 1 A 3 3 TRP CB C 3 29.120 28.526 0.594 1
1 31 . 3 1 1 A 3 3 TRP N N 3 119.200 117.566 1.634 1
1 33 . 3 1 1 A 4 4 LYS H H 4 8.133 7.727 0.406 1
1 34 . 3 1 1 A 4 4 LYS HA H 4 4.160 4.066 0.094 1
1 46 . 3 1 1 A 4 4 LYS CA C 4 59.001 58.892 0.109 1
1 47 . 3 1 1 A 4 4 LYS CB C 4 32.524 31.063 1.461 1
1 51 . 3 1 1 A 5 5 ASN H H 5 8.141 7.664 0.477 1
1 52 . 3 1 1 A 5 5 ASN HA H 5 4.527 4.315 0.212 1
1 57 . 3 1 1 A 5 5 ASN CB C 5 37.852 39.519 -1.667 1
1 58 . 3 1 1 A 5 5 ASN N N 5 118.143 117.417 0.726 1
1 60 . 3 1 1 A 6 6 PHE H H 6 8.268 7.993 0.275 1
1 61 . 3 1 1 A 6 6 PHE HA H 6 4.233 4.110 0.123 1
1 69 . 3 1 1 A 6 6 PHE CA C 6 61.121 61.260 -0.139 1
1 70 . 3 1 1 A 6 6 PHE CB C 6 39.051 38.736 0.315 1
1 75 . 3 1 1 A 6 6 PHE N N 6 122.645 119.894 2.751 1
1 76 . 3 1 1 A 7 7 TRP H H 7 8.210 7.589 0.621 1
1 77 . 3 1 1 A 7 7 TRP HA H 7 4.218 3.994 0.224 1
1 86 . 3 1 1 A 7 7 TRP CA C 7 57.537 60.636 -3.099 1
1 87 . 3 1 1 A 7 7 TRP CB C 7 29.031 29.003 0.028 1
1 94 . 3 1 1 A 7 7 TRP N N 7 119.652 119.192 0.460 1
1 96 . 3 1 1 A 8 8 SER H H 8 8.313 8.529 -0.216 1
1 97 . 3 1 1 A 8 8 SER HA H 8 4.211 4.290 -0.079 1
1 100 . 3 1 1 A 8 8 SER CA C 8 60.128 61.431 -1.303 1
1 101 . 3 1 1 A 8 8 SER CB C 8 62.938 62.273 0.665 1
1 102 . 3 1 1 A 8 8 SER N N 8 113.442 116.949 -3.507 1
1 103 . 3 1 1 A 9 9 SER H H 9 7.864 7.865 -0.001 1
1 104 . 3 1 1 A 9 9 SER HA H 9 4.255 4.166 0.089 1
1 107 . 3 1 1 A 9 9 SER CA C 9 61.797 62.484 -0.687 1
1 108 . 3 1 1 A 9 9 SER CB C 9 62.938 63.285 -0.347 1
1 109 . 3 1 1 A 9 9 SER N N 9 117.994 117.337 0.657 1
1 110 . 3 1 1 A 10 10 LEU H H 10 7.867 8.074 -0.207 1
1 111 . 3 1 1 A 10 10 LEU HA H 10 4.047 3.946 0.101 1
1 121 . 3 1 1 A 10 10 LEU CA C 10 57.592 58.129 -0.537 1
1 122 . 3 1 1 A 10 10 LEU CB C 10 41.896 41.399 0.497 1
1 126 . 3 1 1 A 10 10 LEU N N 10 124.116 120.821 3.295 1
1 127 . 3 1 1 A 11 11 ARG H H 11 7.975 7.849 0.126 1
1 128 . 3 1 1 A 11 11 ARG HA H 11 4.051 3.997 0.054 1
1 136 . 3 1 1 A 11 11 ARG CA C 11 58.881 59.804 -0.923 1
1 137 . 3 1 1 A 11 11 ARG CB C 11 29.959 29.947 0.012 1
1 140 . 3 1 1 A 11 11 ARG N N 11 118.035 119.900 -1.865 1
1 142 . 3 1 1 A 12 12 LYS H H 12 7.928 7.563 0.365 1
1 143 . 3 1 1 A 12 12 LYS HA H 12 4.161 4.142 0.019 1
1 155 . 3 1 1 A 12 12 LYS CA C 12 59.020 59.337 -0.317 1
1 156 . 3 1 1 A 12 12 LYS CB C 12 32.512 32.230 0.282 1
1 160 . 3 1 1 A 12 12 LYS N N 12 118.806 118.316 0.490 1
1 161 . 3 1 1 A 13 13 GLY H H 13 8.079 7.988 0.091 1
1 162 . 3 1 1 A 13 13 GLY HA2 H 13 3.890 3.740 0.150 1
1 163 . 3 1 1 A 13 13 GLY HA3 H 13 3.890 3.759 0.131 1
1 164 . 3 1 1 A 13 13 GLY CA C 13 46.369 47.467 -1.098 1
1 165 . 3 1 1 A 13 13 GLY N N 13 106.212 108.232 -2.020 1
1 166 . 3 1 1 A 14 14 PHE H H 14 8.135 7.954 0.181 1
1 167 . 3 1 1 A 14 14 PHE HA H 14 4.436 4.123 0.313 1
1 175 . 3 1 1 A 14 14 PHE CA C 14 60.182 60.567 -0.385 1
1 176 . 3 1 1 A 14 14 PHE CB C 14 39.096 39.129 -0.033 1
1 180 . 3 1 1 A 15 15 TYR H H 15 8.230 8.265 -0.035 1
1 181 . 3 1 1 A 15 15 TYR HA H 15 4.364 4.316 0.048 1
1 188 . 3 1 1 A 15 15 TYR CA C 15 60.249 61.660 -1.411 1
1 189 . 3 1 1 A 15 15 TYR CB C 15 38.313 39.138 -0.825 1
1 194 . 3 1 1 A 15 15 TYR N N 15 119.420 119.801 -0.381 1
1 195 . 3 1 1 A 16 16 ASP H H 16 8.516 7.589 0.927 1
1 196 . 3 1 1 A 16 16 ASP HA H 16 4.652 5.076 -0.424 1
1 199 . 3 1 1 A 16 16 ASP CB C 16 37.561 41.541 -3.980 1
1 200 . 3 1 1 A 16 16 ASP N N 16 118.037 118.748 -0.711 1
1 201 . 3 1 1 A 17 17 GLY H H 17 7.858 8.341 -0.483 1
1 202 . 3 1 1 A 17 17 GLY HA2 H 17 3.971 3.529 0.442 1
1 203 . 3 1 1 A 17 17 GLY HA3 H 17 3.971 3.701 0.270 1
1 204 . 3 1 1 A 17 17 GLY CA C 17 46.025 46.370 -0.345 1
1 205 . 3 1 1 A 17 17 GLY N N 17 107.457 108.648 -1.191 1
1 206 . 3 1 1 A 18 18 GLU H H 18 8.087 7.294 0.793 1
1 207 . 3 1 1 A 18 18 GLU HA H 18 4.215 4.048 0.167 1
1 212 . 3 1 1 A 18 18 GLU CB C 18 28.150 29.840 -1.690 1
1 214 . 3 1 1 A 18 18 GLU N N 18 119.806 121.075 -1.269 1
1 215 . 3 1 1 A 19 19 ALA H H 19 8.176 8.273 -0.097 1
1 216 . 3 1 1 A 19 19 ALA HA H 19 4.154 4.191 -0.037 1
1 220 . 3 1 1 A 19 19 ALA CA C 19 54.191 54.791 -0.600 1
1 221 . 3 1 1 A 19 19 ALA CB C 19 17.953 18.606 -0.653 1
1 222 . 3 1 1 A 19 19 ALA N N 19 122.201 122.153 0.048 1
1 223 . 3 1 1 A 20 20 GLY H H 20 8.049 8.474 -0.425 1
1 224 . 3 1 1 A 20 20 GLY HA2 H 20 3.918 3.962 -0.044 1
1 225 . 3 1 1 A 20 20 GLY HA3 H 20 3.918 3.982 -0.064 1
1 226 . 3 1 1 A 20 20 GLY CA C 20 46.090 46.828 -0.738 1
1 227 . 3 1 1 A 20 20 GLY N N 20 104.575 105.480 -0.905 1
1 228 . 3 1 1 A 21 21 ARG H H 21 7.723 7.464 0.259 1
1 229 . 3 1 1 A 21 21 ARG HA H 21 4.289 4.287 0.002 1
1 237 . 3 1 1 A 21 21 ARG CA C 21 57.263 57.220 0.043 1
1 238 . 3 1 1 A 21 21 ARG CB C 21 30.701 31.976 -1.275 1
1 241 . 3 1 1 A 21 21 ARG N N 21 119.035 120.939 -1.904 1
1 243 . 3 1 1 A 22 22 ALA H H 22 7.954 7.357 0.597 1
1 244 . 3 1 1 A 22 22 ALA HA H 22 4.321 4.599 -0.278 1
1 248 . 3 1 1 A 22 22 ALA CA C 22 53.247 51.658 1.589 1
1 249 . 3 1 1 A 22 22 ALA CB C 22 18.221 21.251 -3.030 1
1 250 . 3 1 1 A 22 22 ALA N N 22 122.098 118.333 3.765 1
1 251 . 3 1 1 A 23 23 ILE H H 23 7.705 8.651 -0.946 1
1 252 . 3 1 1 A 23 23 ILE HA H 23 4.162 4.135 0.027 1
1 262 . 3 1 1 A 23 23 ILE CA C 23 61.798 62.733 -0.935 1
1 263 . 3 1 1 A 23 23 ILE CB C 23 38.823 38.502 0.321 1
1 267 . 3 1 1 A 23 23 ILE N N 23 117.111 124.285 -7.174 1
1 268 . 3 1 1 A 24 24 ARG H H 24 7.926 7.832 0.094 1
1 269 . 3 1 1 A 24 24 ARG HA H 24 4.407 4.554 -0.147 1
1 277 . 3 1 1 A 24 24 ARG CA C 24 55.977 55.130 0.847 1
1 278 . 3 1 1 A 24 24 ARG CB C 24 30.582 31.088 -0.506 1
1 281 . 3 1 1 A 24 24 ARG N N 24 122.716 116.513 6.203 1
1 4 . 4 1 1 A 2 2 ALA H H 2 8.663 8.281 0.382 1
1 5 . 4 1 1 A 2 2 ALA HA H 2 4.329 3.868 0.461 1
1 9 . 4 1 1 A 2 2 ALA CA C 2 54.217 54.647 -0.430 1
1 10 . 4 1 1 A 2 2 ALA CB C 2 18.718 18.655 0.063 1
1 11 . 4 1 1 A 2 2 ALA N N 2 123.890 125.794 -1.904 1
1 12 . 4 1 1 A 3 3 TRP H H 3 8.289 8.166 0.123 1
1 13 . 4 1 1 A 3 3 TRP HA H 3 4.629 4.459 0.170 1
1 22 . 4 1 1 A 3 3 TRP CB C 3 29.120 28.605 0.515 1
1 31 . 4 1 1 A 3 3 TRP N N 3 119.200 117.544 1.656 1
1 33 . 4 1 1 A 4 4 LYS H H 4 8.133 7.487 0.646 1
1 34 . 4 1 1 A 4 4 LYS HA H 4 4.160 3.943 0.217 1
1 46 . 4 1 1 A 4 4 LYS CA C 4 59.001 58.756 0.245 1
1 47 . 4 1 1 A 4 4 LYS CB C 4 32.524 31.096 1.428 1
1 51 . 4 1 1 A 5 5 ASN H H 5 8.141 7.758 0.383 1
1 52 . 4 1 1 A 5 5 ASN HA H 5 4.527 4.337 0.190 1
1 57 . 4 1 1 A 5 5 ASN CB C 5 37.852 38.523 -0.671 1
1 58 . 4 1 1 A 5 5 ASN N N 5 118.143 117.428 0.715 1
1 60 . 4 1 1 A 6 6 PHE H H 6 8.268 7.994 0.274 1
1 61 . 4 1 1 A 6 6 PHE HA H 6 4.233 4.106 0.127 1
1 69 . 4 1 1 A 6 6 PHE CA C 6 61.121 61.257 -0.136 1
1 70 . 4 1 1 A 6 6 PHE CB C 6 39.051 38.617 0.434 1
1 75 . 4 1 1 A 6 6 PHE N N 6 122.645 120.073 2.572 1
1 76 . 4 1 1 A 7 7 TRP H H 7 8.210 7.548 0.662 1
1 77 . 4 1 1 A 7 7 TRP HA H 7 4.218 4.005 0.213 1
1 86 . 4 1 1 A 7 7 TRP CA C 7 57.537 60.609 -3.072 1
1 87 . 4 1 1 A 7 7 TRP CB C 7 29.031 28.950 0.081 1
1 94 . 4 1 1 A 7 7 TRP N N 7 119.652 119.105 0.547 1
1 96 . 4 1 1 A 8 8 SER H H 8 8.313 8.503 -0.190 1
1 97 . 4 1 1 A 8 8 SER HA H 8 4.211 4.345 -0.134 1
1 100 . 4 1 1 A 8 8 SER CA C 8 60.128 61.414 -1.286 1
1 101 . 4 1 1 A 8 8 SER CB C 8 62.938 62.193 0.745 1
1 102 . 4 1 1 A 8 8 SER N N 8 113.442 116.928 -3.486 1
1 103 . 4 1 1 A 9 9 SER H H 9 7.864 7.786 0.078 1
1 104 . 4 1 1 A 9 9 SER HA H 9 4.255 4.171 0.084 1
1 107 . 4 1 1 A 9 9 SER CA C 9 61.797 62.414 -0.617 1
1 108 . 4 1 1 A 9 9 SER CB C 9 62.938 63.226 -0.288 1
1 109 . 4 1 1 A 9 9 SER N N 9 117.994 116.959 1.035 1
1 110 . 4 1 1 A 10 10 LEU H H 10 7.867 7.994 -0.127 1
1 111 . 4 1 1 A 10 10 LEU HA H 10 4.047 3.934 0.113 1
1 121 . 4 1 1 A 10 10 LEU CA C 10 57.592 58.012 -0.420 1
1 122 . 4 1 1 A 10 10 LEU CB C 10 41.896 41.410 0.486 1
1 126 . 4 1 1 A 10 10 LEU N N 10 124.116 120.951 3.165 1
1 127 . 4 1 1 A 11 11 ARG H H 11 7.975 8.383 -0.408 1
1 128 . 4 1 1 A 11 11 ARG HA H 11 4.051 4.010 0.041 1
1 136 . 4 1 1 A 11 11 ARG CA C 11 58.881 60.209 -1.328 1
1 137 . 4 1 1 A 11 11 ARG CB C 11 29.959 30.158 -0.199 1
1 140 . 4 1 1 A 11 11 ARG N N 11 118.035 118.079 -0.044 1
1 142 . 4 1 1 A 12 12 LYS H H 12 7.928 7.809 0.119 1
1 143 . 4 1 1 A 12 12 LYS HA H 12 4.161 4.105 0.056 1
1 155 . 4 1 1 A 12 12 LYS CA C 12 59.020 59.377 -0.357 1
1 156 . 4 1 1 A 12 12 LYS CB C 12 32.512 32.461 0.051 1
1 160 . 4 1 1 A 12 12 LYS N N 12 118.806 119.519 -0.713 1
1 161 . 4 1 1 A 13 13 GLY H H 13 8.079 7.971 0.108 1
1 162 . 4 1 1 A 13 13 GLY HA2 H 13 3.890 3.655 0.235 1
1 163 . 4 1 1 A 13 13 GLY HA3 H 13 3.890 3.673 0.217 1
1 164 . 4 1 1 A 13 13 GLY CA C 13 46.369 47.446 -1.077 1
1 165 . 4 1 1 A 13 13 GLY N N 13 106.212 107.686 -1.474 1
1 166 . 4 1 1 A 14 14 PHE H H 14 8.135 8.277 -0.142 1
1 167 . 4 1 1 A 14 14 PHE HA H 14 4.436 4.130 0.306 1
1 175 . 4 1 1 A 14 14 PHE CA C 14 60.182 60.746 -0.564 1
1 176 . 4 1 1 A 14 14 PHE CB C 14 39.096 39.258 -0.162 1
1 180 . 4 1 1 A 15 15 TYR H H 15 8.230 8.193 0.037 1
1 181 . 4 1 1 A 15 15 TYR HA H 15 4.364 4.259 0.105 1
1 188 . 4 1 1 A 15 15 TYR CA C 15 60.249 60.176 0.073 1
1 189 . 4 1 1 A 15 15 TYR CB C 15 38.313 38.472 -0.159 1
1 194 . 4 1 1 A 15 15 TYR N N 15 119.420 119.571 -0.151 1
1 195 . 4 1 1 A 16 16 ASP H H 16 8.516 7.762 0.754 1
1 196 . 4 1 1 A 16 16 ASP HA H 16 4.652 4.938 -0.286 1
1 199 . 4 1 1 A 16 16 ASP CB C 16 37.561 41.537 -3.976 1
1 200 . 4 1 1 A 16 16 ASP N N 16 118.037 119.446 -1.409 1
1 201 . 4 1 1 A 17 17 GLY H H 17 7.858 7.744 0.114 1
1 202 . 4 1 1 A 17 17 GLY HA2 H 17 3.971 3.889 0.082 1
1 203 . 4 1 1 A 17 17 GLY HA3 H 17 3.971 4.049 -0.078 1
1 204 . 4 1 1 A 17 17 GLY CA C 17 46.025 45.880 0.145 1
1 205 . 4 1 1 A 17 17 GLY N N 17 107.457 109.182 -1.725 1
1 206 . 4 1 1 A 18 18 GLU H H 18 8.087 7.181 0.906 1
1 207 . 4 1 1 A 18 18 GLU HA H 18 4.215 4.056 0.159 1
1 212 . 4 1 1 A 18 18 GLU CB C 18 28.150 30.051 -1.901 1
1 214 . 4 1 1 A 18 18 GLU N N 18 119.806 121.088 -1.282 1
1 215 . 4 1 1 A 19 19 ALA H H 19 8.176 8.268 -0.092 1
1 216 . 4 1 1 A 19 19 ALA HA H 19 4.154 4.026 0.128 1
1 220 . 4 1 1 A 19 19 ALA CA C 19 54.191 54.789 -0.598 1
1 221 . 4 1 1 A 19 19 ALA CB C 19 17.953 18.364 -0.411 1
1 222 . 4 1 1 A 19 19 ALA N N 19 122.201 122.207 -0.006 1
1 223 . 4 1 1 A 20 20 GLY H H 20 8.049 8.351 -0.302 1
1 224 . 4 1 1 A 20 20 GLY HA2 H 20 3.918 3.796 0.122 1
1 225 . 4 1 1 A 20 20 GLY HA3 H 20 3.918 3.819 0.099 1
1 226 . 4 1 1 A 20 20 GLY CA C 20 46.090 47.030 -0.940 1
1 227 . 4 1 1 A 20 20 GLY N N 20 104.575 105.383 -0.808 1
1 228 . 4 1 1 A 21 21 ARG H H 21 7.723 7.397 0.326 1
1 229 . 4 1 1 A 21 21 ARG HA H 21 4.289 4.113 0.176 1
1 237 . 4 1 1 A 21 21 ARG CA C 21 57.263 58.079 -0.816 1
1 238 . 4 1 1 A 21 21 ARG CB C 21 30.701 31.304 -0.603 1
1 241 . 4 1 1 A 21 21 ARG N N 21 119.035 121.341 -2.306 1
1 243 . 4 1 1 A 22 22 ALA H H 22 7.954 7.475 0.479 1
1 244 . 4 1 1 A 22 22 ALA HA H 22 4.321 4.612 -0.291 1
1 248 . 4 1 1 A 22 22 ALA CA C 22 53.247 51.655 1.592 1
1 249 . 4 1 1 A 22 22 ALA CB C 22 18.221 22.133 -3.912 1
1 250 . 4 1 1 A 22 22 ALA N N 22 122.098 117.463 4.635 1
1 251 . 4 1 1 A 23 23 ILE H H 23 7.705 8.713 -1.008 1
1 252 . 4 1 1 A 23 23 ILE HA H 23 4.162 4.161 0.001 1
1 262 . 4 1 1 A 23 23 ILE CA C 23 61.798 63.114 -1.316 1
1 263 . 4 1 1 A 23 23 ILE CB C 23 38.823 38.332 0.491 1
1 267 . 4 1 1 A 23 23 ILE N N 23 117.111 124.606 -7.495 1
1 268 . 4 1 1 A 24 24 ARG H H 24 7.926 7.972 -0.046 1
1 269 . 4 1 1 A 24 24 ARG HA H 24 4.407 4.518 -0.111 1
1 277 . 4 1 1 A 24 24 ARG CA C 24 55.977 57.024 -1.047 1
1 278 . 4 1 1 A 24 24 ARG CB C 24 30.582 31.985 -1.403 1
1 281 . 4 1 1 A 24 24 ARG N N 24 122.716 120.164 2.552 1
1 4 . 5 1 1 A 2 2 ALA H H 2 8.663 8.129 0.534 1
1 5 . 5 1 1 A 2 2 ALA HA H 2 4.329 3.973 0.356 1
1 9 . 5 1 1 A 2 2 ALA CA C 2 54.217 54.566 -0.349 1
1 10 . 5 1 1 A 2 2 ALA CB C 2 18.718 18.610 0.108 1
1 11 . 5 1 1 A 2 2 ALA N N 2 123.890 122.549 1.341 1
1 12 . 5 1 1 A 3 3 TRP H H 3 8.289 8.184 0.105 1
1 13 . 5 1 1 A 3 3 TRP HA H 3 4.629 4.471 0.158 1
1 22 . 5 1 1 A 3 3 TRP CB C 3 29.120 28.637 0.483 1
1 31 . 5 1 1 A 3 3 TRP N N 3 119.200 117.573 1.627 1
1 33 . 5 1 1 A 4 4 LYS H H 4 8.133 7.652 0.481 1
1 34 . 5 1 1 A 4 4 LYS HA H 4 4.160 3.865 0.295 1
1 46 . 5 1 1 A 4 4 LYS CA C 4 59.001 58.764 0.237 1
1 47 . 5 1 1 A 4 4 LYS CB C 4 32.524 31.232 1.292 1
1 51 . 5 1 1 A 5 5 ASN H H 5 8.141 7.656 0.485 1
1 52 . 5 1 1 A 5 5 ASN HA H 5 4.527 4.331 0.196 1
1 57 . 5 1 1 A 5 5 ASN CB C 5 37.852 39.704 -1.852 1
1 58 . 5 1 1 A 5 5 ASN N N 5 118.143 117.357 0.786 1
1 60 . 5 1 1 A 6 6 PHE H H 6 8.268 8.033 0.235 1
1 61 . 5 1 1 A 6 6 PHE HA H 6 4.233 4.101 0.132 1
1 69 . 5 1 1 A 6 6 PHE CA C 6 61.121 61.224 -0.103 1
1 70 . 5 1 1 A 6 6 PHE CB C 6 39.051 38.658 0.393 1
1 75 . 5 1 1 A 6 6 PHE N N 6 122.645 119.760 2.885 1
1 76 . 5 1 1 A 7 7 TRP H H 7 8.210 7.837 0.373 1
1 77 . 5 1 1 A 7 7 TRP HA H 7 4.218 4.542 -0.324 1
1 86 . 5 1 1 A 7 7 TRP CA C 7 57.537 60.855 -3.318 1
1 87 . 5 1 1 A 7 7 TRP CB C 7 29.031 29.019 0.012 1
1 94 . 5 1 1 A 7 7 TRP N N 7 119.652 119.703 -0.051 1
1 96 . 5 1 1 A 8 8 SER H H 8 8.313 8.286 0.027 1
1 97 . 5 1 1 A 8 8 SER HA H 8 4.211 4.405 -0.194 1
1 100 . 5 1 1 A 8 8 SER CA C 8 60.128 61.377 -1.249 1
1 101 . 5 1 1 A 8 8 SER CB C 8 62.938 62.434 0.504 1
1 102 . 5 1 1 A 8 8 SER N N 8 113.442 116.667 -3.225 1
1 103 . 5 1 1 A 9 9 SER H H 9 7.864 7.646 0.218 1
1 104 . 5 1 1 A 9 9 SER HA H 9 4.255 4.113 0.142 1
1 107 . 5 1 1 A 9 9 SER CA C 9 61.797 62.047 -0.250 1
1 108 . 5 1 1 A 9 9 SER CB C 9 62.938 63.047 -0.109 1
1 109 . 5 1 1 A 9 9 SER N N 9 117.994 118.276 -0.282 1
1 110 . 5 1 1 A 10 10 LEU H H 10 7.867 8.136 -0.269 1
1 111 . 5 1 1 A 10 10 LEU HA H 10 4.047 4.024 0.023 1
1 121 . 5 1 1 A 10 10 LEU CA C 10 57.592 58.167 -0.575 1
1 122 . 5 1 1 A 10 10 LEU CB C 10 41.896 41.706 0.190 1
1 126 . 5 1 1 A 10 10 LEU N N 10 124.116 121.388 2.728 1
1 127 . 5 1 1 A 11 11 ARG H H 11 7.975 8.492 -0.517 1
1 128 . 5 1 1 A 11 11 ARG HA H 11 4.051 4.107 -0.056 1
1 136 . 5 1 1 A 11 11 ARG CA C 11 58.881 60.127 -1.246 1
1 137 . 5 1 1 A 11 11 ARG CB C 11 29.959 30.146 -0.187 1
1 140 . 5 1 1 A 11 11 ARG N N 11 118.035 118.004 0.031 1
1 142 . 5 1 1 A 12 12 LYS H H 12 7.928 7.797 0.131 1
1 143 . 5 1 1 A 12 12 LYS HA H 12 4.161 4.108 0.053 1
1 155 . 5 1 1 A 12 12 LYS CA C 12 59.020 59.326 -0.306 1
1 156 . 5 1 1 A 12 12 LYS CB C 12 32.512 32.308 0.204 1
1 160 . 5 1 1 A 12 12 LYS N N 12 118.806 119.615 -0.809 1
1 161 . 5 1 1 A 13 13 GLY H H 13 8.079 8.081 -0.002 1
1 162 . 5 1 1 A 13 13 GLY HA2 H 13 3.890 3.692 0.198 1
1 163 . 5 1 1 A 13 13 GLY HA3 H 13 3.890 3.721 0.169 1
1 164 . 5 1 1 A 13 13 GLY CA C 13 46.369 47.496 -1.127 1
1 165 . 5 1 1 A 13 13 GLY N N 13 106.212 107.935 -1.723 1
1 166 . 5 1 1 A 14 14 PHE H H 14 8.135 8.147 -0.012 1
1 167 . 5 1 1 A 14 14 PHE HA H 14 4.436 4.148 0.288 1
1 175 . 5 1 1 A 14 14 PHE CA C 14 60.182 60.794 -0.612 1
1 176 . 5 1 1 A 14 14 PHE CB C 14 39.096 39.288 -0.192 1
1 180 . 5 1 1 A 15 15 TYR H H 15 8.230 8.290 -0.060 1
1 181 . 5 1 1 A 15 15 TYR HA H 15 4.364 4.301 0.063 1
1 188 . 5 1 1 A 15 15 TYR CA C 15 60.249 60.285 -0.036 1
1 189 . 5 1 1 A 15 15 TYR CB C 15 38.313 38.513 -0.200 1
1 194 . 5 1 1 A 15 15 TYR N N 15 119.420 119.959 -0.539 1
1 195 . 5 1 1 A 16 16 ASP H H 16 8.516 7.676 0.840 1
1 196 . 5 1 1 A 16 16 ASP HA H 16 4.652 5.011 -0.359 1
1 199 . 5 1 1 A 16 16 ASP CB C 16 37.561 41.340 -3.779 1
1 200 . 5 1 1 A 16 16 ASP N N 16 118.037 119.344 -1.307 1
1 201 . 5 1 1 A 17 17 GLY H H 17 7.858 8.230 -0.372 1
1 202 . 5 1 1 A 17 17 GLY HA2 H 17 3.971 3.558 0.413 1
1 203 . 5 1 1 A 17 17 GLY HA3 H 17 3.971 3.747 0.224 1
1 204 . 5 1 1 A 17 17 GLY CA C 17 46.025 46.339 -0.314 1
1 205 . 5 1 1 A 17 17 GLY N N 17 107.457 108.591 -1.134 1
1 206 . 5 1 1 A 18 18 GLU H H 18 8.087 7.002 1.085 1
1 207 . 5 1 1 A 18 18 GLU HA H 18 4.215 4.045 0.170 1
1 212 . 5 1 1 A 18 18 GLU CB C 18 28.150 30.079 -1.929 1
1 214 . 5 1 1 A 18 18 GLU N N 18 119.806 120.958 -1.152 1
1 215 . 5 1 1 A 19 19 ALA H H 19 8.176 8.155 0.021 1
1 216 . 5 1 1 A 19 19 ALA HA H 19 4.154 4.003 0.151 1
1 220 . 5 1 1 A 19 19 ALA CA C 19 54.191 54.688 -0.497 1
1 221 . 5 1 1 A 19 19 ALA CB C 19 17.953 18.387 -0.434 1
1 222 . 5 1 1 A 19 19 ALA N N 19 122.201 122.008 0.193 1
1 223 . 5 1 1 A 20 20 GLY H H 20 8.049 8.387 -0.338 1
1 224 . 5 1 1 A 20 20 GLY HA2 H 20 3.918 3.930 -0.012 1
1 225 . 5 1 1 A 20 20 GLY HA3 H 20 3.918 3.956 -0.038 1
1 226 . 5 1 1 A 20 20 GLY CA C 20 46.090 46.882 -0.792 1
1 227 . 5 1 1 A 20 20 GLY N N 20 104.575 105.432 -0.857 1
1 228 . 5 1 1 A 21 21 ARG H H 21 7.723 7.370 0.353 1
1 229 . 5 1 1 A 21 21 ARG HA H 21 4.289 4.173 0.116 1
1 237 . 5 1 1 A 21 21 ARG CA C 21 57.263 57.705 -0.442 1
1 238 . 5 1 1 A 21 21 ARG CB C 21 30.701 31.905 -1.204 1
1 241 . 5 1 1 A 21 21 ARG N N 21 119.035 121.046 -2.011 1
1 243 . 5 1 1 A 22 22 ALA H H 22 7.954 7.635 0.319 1
1 244 . 5 1 1 A 22 22 ALA HA H 22 4.321 4.576 -0.255 1
1 248 . 5 1 1 A 22 22 ALA CA C 22 53.247 51.609 1.638 1
1 249 . 5 1 1 A 22 22 ALA CB C 22 18.221 22.224 -4.003 1
1 250 . 5 1 1 A 22 22 ALA N N 22 122.098 118.567 3.531 1
1 251 . 5 1 1 A 23 23 ILE H H 23 7.705 8.685 -0.980 1
1 252 . 5 1 1 A 23 23 ILE HA H 23 4.162 4.180 -0.018 1
1 262 . 5 1 1 A 23 23 ILE CA C 23 61.798 62.613 -0.815 1
1 263 . 5 1 1 A 23 23 ILE CB C 23 38.823 38.597 0.226 1
1 267 . 5 1 1 A 23 23 ILE N N 23 117.111 123.062 -5.951 1
1 268 . 5 1 1 A 24 24 ARG H H 24 7.926 7.877 0.049 1
1 269 . 5 1 1 A 24 24 ARG HA H 24 4.407 4.575 -0.168 1
1 277 . 5 1 1 A 24 24 ARG CA C 24 55.977 55.074 0.903 1
1 278 . 5 1 1 A 24 24 ARG CB C 24 30.582 30.133 0.449 1
1 281 . 5 1 1 A 24 24 ARG N N 24 122.716 117.176 5.540 1
1 4 . 6 1 1 A 2 2 ALA H H 2 8.663 9.068 -0.405 1
1 5 . 6 1 1 A 2 2 ALA HA H 2 4.329 3.928 0.401 1
1 9 . 6 1 1 A 2 2 ALA CA C 2 54.217 54.601 -0.384 1
1 10 . 6 1 1 A 2 2 ALA CB C 2 18.718 18.472 0.246 1
1 11 . 6 1 1 A 2 2 ALA N N 2 123.890 126.825 -2.935 1
1 12 . 6 1 1 A 3 3 TRP H H 3 8.289 8.201 0.088 1
1 13 . 6 1 1 A 3 3 TRP HA H 3 4.629 4.448 0.181 1
1 22 . 6 1 1 A 3 3 TRP CB C 3 29.120 28.508 0.612 1
1 31 . 6 1 1 A 3 3 TRP N N 3 119.200 117.516 1.684 1
1 33 . 6 1 1 A 4 4 LYS H H 4 8.133 7.412 0.721 1
1 34 . 6 1 1 A 4 4 LYS HA H 4 4.160 3.900 0.260 1
1 46 . 6 1 1 A 4 4 LYS CA C 4 59.001 58.840 0.161 1
1 47 . 6 1 1 A 4 4 LYS CB C 4 32.524 31.003 1.521 1
1 51 . 6 1 1 A 5 5 ASN H H 5 8.141 7.706 0.435 1
1 52 . 6 1 1 A 5 5 ASN HA H 5 4.527 4.322 0.205 1
1 57 . 6 1 1 A 5 5 ASN CB C 5 37.852 39.751 -1.899 1
1 58 . 6 1 1 A 5 5 ASN N N 5 118.143 117.368 0.775 1
1 60 . 6 1 1 A 6 6 PHE H H 6 8.268 7.956 0.312 1
1 61 . 6 1 1 A 6 6 PHE HA H 6 4.233 4.155 0.078 1
1 69 . 6 1 1 A 6 6 PHE CA C 6 61.121 61.292 -0.171 1
1 70 . 6 1 1 A 6 6 PHE CB C 6 39.051 38.797 0.254 1
1 75 . 6 1 1 A 6 6 PHE N N 6 122.645 119.703 2.942 1
1 76 . 6 1 1 A 7 7 TRP H H 7 8.210 7.900 0.310 1
1 77 . 6 1 1 A 7 7 TRP HA H 7 4.218 4.491 -0.273 1
1 86 . 6 1 1 A 7 7 TRP CA C 7 57.537 60.771 -3.234 1
1 87 . 6 1 1 A 7 7 TRP CB C 7 29.031 29.066 -0.035 1
1 94 . 6 1 1 A 7 7 TRP N N 7 119.652 119.488 0.164 1
1 96 . 6 1 1 A 8 8 SER H H 8 8.313 8.312 0.001 1
1 97 . 6 1 1 A 8 8 SER HA H 8 4.211 4.074 0.137 1
1 100 . 6 1 1 A 8 8 SER CA C 8 60.128 62.176 -2.048 1
1 101 . 6 1 1 A 8 8 SER CB C 8 62.938 62.736 0.202 1
1 102 . 6 1 1 A 8 8 SER N N 8 113.442 115.208 -1.766 1
1 103 . 6 1 1 A 9 9 SER H H 9 7.864 7.730 0.134 1
1 104 . 6 1 1 A 9 9 SER HA H 9 4.255 4.097 0.158 1
1 107 . 6 1 1 A 9 9 SER CA C 9 61.797 62.143 -0.346 1
1 108 . 6 1 1 A 9 9 SER CB C 9 62.938 63.061 -0.123 1
1 109 . 6 1 1 A 9 9 SER N N 9 117.994 117.060 0.934 1
1 110 . 6 1 1 A 10 10 LEU H H 10 7.867 8.245 -0.378 1
1 111 . 6 1 1 A 10 10 LEU HA H 10 4.047 4.043 0.004 1
1 121 . 6 1 1 A 10 10 LEU CA C 10 57.592 58.253 -0.661 1
1 122 . 6 1 1 A 10 10 LEU CB C 10 41.896 41.816 0.080 1
1 126 . 6 1 1 A 10 10 LEU N N 10 124.116 121.449 2.667 1
1 127 . 6 1 1 A 11 11 ARG H H 11 7.975 8.303 -0.328 1
1 128 . 6 1 1 A 11 11 ARG HA H 11 4.051 4.058 -0.007 1
1 136 . 6 1 1 A 11 11 ARG CA C 11 58.881 60.312 -1.431 1
1 137 . 6 1 1 A 11 11 ARG CB C 11 29.959 30.148 -0.189 1
1 140 . 6 1 1 A 11 11 ARG N N 11 118.035 119.545 -1.510 1
1 142 . 6 1 1 A 12 12 LYS H H 12 7.928 7.610 0.318 1
1 143 . 6 1 1 A 12 12 LYS HA H 12 4.161 4.121 0.040 1
1 155 . 6 1 1 A 12 12 LYS CA C 12 59.020 59.338 -0.318 1
1 156 . 6 1 1 A 12 12 LYS CB C 12 32.512 32.318 0.194 1
1 160 . 6 1 1 A 12 12 LYS N N 12 118.806 118.452 0.354 1
1 161 . 6 1 1 A 13 13 GLY H H 13 8.079 8.000 0.079 1
1 162 . 6 1 1 A 13 13 GLY HA2 H 13 3.890 3.649 0.241 1
1 163 . 6 1 1 A 13 13 GLY HA3 H 13 3.890 3.677 0.213 1
1 164 . 6 1 1 A 13 13 GLY CA C 13 46.369 47.420 -1.051 1
1 165 . 6 1 1 A 13 13 GLY N N 13 106.212 107.723 -1.511 1
1 166 . 6 1 1 A 14 14 PHE H H 14 8.135 8.186 -0.051 1
1 167 . 6 1 1 A 14 14 PHE HA H 14 4.436 4.147 0.289 1
1 175 . 6 1 1 A 14 14 PHE CA C 14 60.182 60.633 -0.451 1
1 176 . 6 1 1 A 14 14 PHE CB C 14 39.096 39.265 -0.169 1
1 180 . 6 1 1 A 15 15 TYR H H 15 8.230 8.315 -0.085 1
1 181 . 6 1 1 A 15 15 TYR HA H 15 4.364 4.274 0.090 1
1 188 . 6 1 1 A 15 15 TYR CA C 15 60.249 60.593 -0.344 1
1 189 . 6 1 1 A 15 15 TYR CB C 15 38.313 38.691 -0.378 1
1 194 . 6 1 1 A 15 15 TYR N N 15 119.420 119.965 -0.545 1
1 195 . 6 1 1 A 16 16 ASP H H 16 8.516 7.667 0.849 1
1 196 . 6 1 1 A 16 16 ASP HA H 16 4.652 5.027 -0.375 1
1 199 . 6 1 1 A 16 16 ASP CB C 16 37.561 41.386 -3.825 1
1 200 . 6 1 1 A 16 16 ASP N N 16 118.037 119.149 -1.112 1
1 201 . 6 1 1 A 17 17 GLY H H 17 7.858 8.310 -0.452 1
1 202 . 6 1 1 A 17 17 GLY HA2 H 17 3.971 3.510 0.461 1
1 203 . 6 1 1 A 17 17 GLY HA3 H 17 3.971 3.677 0.294 1
1 204 . 6 1 1 A 17 17 GLY CA C 17 46.025 46.360 -0.335 1
1 205 . 6 1 1 A 17 17 GLY N N 17 107.457 108.602 -1.145 1
1 206 . 6 1 1 A 18 18 GLU H H 18 8.087 7.111 0.976 1
1 207 . 6 1 1 A 18 18 GLU HA H 18 4.215 4.054 0.161 1
1 212 . 6 1 1 A 18 18 GLU CB C 18 28.150 29.780 -1.630 1
1 214 . 6 1 1 A 18 18 GLU N N 18 119.806 120.987 -1.181 1
1 215 . 6 1 1 A 19 19 ALA H H 19 8.176 8.161 0.015 1
1 216 . 6 1 1 A 19 19 ALA HA H 19 4.154 4.023 0.131 1
1 220 . 6 1 1 A 19 19 ALA CA C 19 54.191 54.697 -0.506 1
1 221 . 6 1 1 A 19 19 ALA CB C 19 17.953 18.445 -0.492 1
1 222 . 6 1 1 A 19 19 ALA N N 19 122.201 122.120 0.081 1
1 223 . 6 1 1 A 20 20 GLY H H 20 8.049 8.332 -0.283 1
1 224 . 6 1 1 A 20 20 GLY HA2 H 20 3.918 3.860 0.058 1
1 225 . 6 1 1 A 20 20 GLY HA3 H 20 3.918 3.881 0.037 1
1 226 . 6 1 1 A 20 20 GLY CA C 20 46.090 46.976 -0.886 1
1 227 . 6 1 1 A 20 20 GLY N N 20 104.575 105.726 -1.151 1
1 228 . 6 1 1 A 21 21 ARG H H 21 7.723 7.407 0.316 1
1 229 . 6 1 1 A 21 21 ARG HA H 21 4.289 4.141 0.148 1
1 237 . 6 1 1 A 21 21 ARG CA C 21 57.263 58.225 -0.962 1
1 238 . 6 1 1 A 21 21 ARG CB C 21 30.701 31.399 -0.698 1
1 241 . 6 1 1 A 21 21 ARG N N 21 119.035 121.205 -2.170 1
1 243 . 6 1 1 A 22 22 ALA H H 22 7.954 7.648 0.306 1
1 244 . 6 1 1 A 22 22 ALA HA H 22 4.321 4.476 -0.155 1
1 248 . 6 1 1 A 22 22 ALA CA C 22 53.247 51.856 1.391 1
1 249 . 6 1 1 A 22 22 ALA CB C 22 18.221 20.128 -1.907 1
1 250 . 6 1 1 A 22 22 ALA N N 22 122.098 118.329 3.769 1
1 251 . 6 1 1 A 23 23 ILE H H 23 7.705 8.752 -1.047 1
1 252 . 6 1 1 A 23 23 ILE HA H 23 4.162 3.968 0.194 1
1 262 . 6 1 1 A 23 23 ILE CA C 23 61.798 63.352 -1.554 1
1 263 . 6 1 1 A 23 23 ILE CB C 23 38.823 38.609 0.214 1
1 267 . 6 1 1 A 23 23 ILE N N 23 117.111 124.450 -7.339 1
1 268 . 6 1 1 A 24 24 ARG H H 24 7.926 8.162 -0.236 1
1 269 . 6 1 1 A 24 24 ARG HA H 24 4.407 4.516 -0.109 1
1 277 . 6 1 1 A 24 24 ARG CA C 24 55.977 56.829 -0.852 1
1 278 . 6 1 1 A 24 24 ARG CB C 24 30.582 33.319 -2.737 1
1 281 . 6 1 1 A 24 24 ARG N N 24 122.716 118.446 4.270 1
1 4 . 7 1 1 A 2 2 ALA H H 2 8.663 9.224 -0.561 1
1 5 . 7 1 1 A 2 2 ALA HA H 2 4.329 3.899 0.430 1
1 9 . 7 1 1 A 2 2 ALA CA C 2 54.217 54.537 -0.320 1
1 10 . 7 1 1 A 2 2 ALA CB C 2 18.718 18.377 0.341 1
1 11 . 7 1 1 A 2 2 ALA N N 2 123.890 125.345 -1.455 1
1 12 . 7 1 1 A 3 3 TRP H H 3 8.289 8.107 0.182 1
1 13 . 7 1 1 A 3 3 TRP HA H 3 4.629 4.461 0.168 1
1 22 . 7 1 1 A 3 3 TRP CB C 3 29.120 28.401 0.719 1
1 31 . 7 1 1 A 3 3 TRP N N 3 119.200 117.516 1.684 1
1 33 . 7 1 1 A 4 4 LYS H H 4 8.133 7.600 0.533 1
1 34 . 7 1 1 A 4 4 LYS HA H 4 4.160 4.022 0.138 1
1 46 . 7 1 1 A 4 4 LYS CA C 4 59.001 58.898 0.103 1
1 47 . 7 1 1 A 4 4 LYS CB C 4 32.524 31.021 1.503 1
1 51 . 7 1 1 A 5 5 ASN H H 5 8.141 7.594 0.547 1
1 52 . 7 1 1 A 5 5 ASN HA H 5 4.527 4.324 0.203 1
1 57 . 7 1 1 A 5 5 ASN CB C 5 37.852 39.522 -1.670 1
1 58 . 7 1 1 A 5 5 ASN N N 5 118.143 117.456 0.687 1
1 60 . 7 1 1 A 6 6 PHE H H 6 8.268 7.990 0.278 1
1 61 . 7 1 1 A 6 6 PHE HA H 6 4.233 4.131 0.102 1
1 69 . 7 1 1 A 6 6 PHE CA C 6 61.121 61.259 -0.138 1
1 70 . 7 1 1 A 6 6 PHE CB C 6 39.051 38.617 0.434 1
1 75 . 7 1 1 A 6 6 PHE N N 6 122.645 119.866 2.779 1
1 76 . 7 1 1 A 7 7 TRP H H 7 8.210 7.552 0.658 1
1 77 . 7 1 1 A 7 7 TRP HA H 7 4.218 4.027 0.191 1
1 86 . 7 1 1 A 7 7 TRP CA C 7 57.537 60.513 -2.976 1
1 87 . 7 1 1 A 7 7 TRP CB C 7 29.031 28.903 0.128 1
1 94 . 7 1 1 A 7 7 TRP N N 7 119.652 119.140 0.512 1
1 96 . 7 1 1 A 8 8 SER H H 8 8.313 8.304 0.009 1
1 97 . 7 1 1 A 8 8 SER HA H 8 4.211 4.134 0.077 1
1 100 . 7 1 1 A 8 8 SER CA C 8 60.128 62.027 -1.899 1
1 101 . 7 1 1 A 8 8 SER CB C 8 62.938 62.691 0.247 1
1 102 . 7 1 1 A 8 8 SER N N 8 113.442 117.158 -3.716 1
1 103 . 7 1 1 A 9 9 SER H H 9 7.864 7.822 0.042 1
1 104 . 7 1 1 A 9 9 SER HA H 9 4.255 4.173 0.082 1
1 107 . 7 1 1 A 9 9 SER CA C 9 61.797 62.411 -0.614 1
1 108 . 7 1 1 A 9 9 SER CB C 9 62.938 63.209 -0.271 1
1 109 . 7 1 1 A 9 9 SER N N 9 117.994 118.049 -0.055 1
1 110 . 7 1 1 A 10 10 LEU H H 10 7.867 8.016 -0.149 1
1 111 . 7 1 1 A 10 10 LEU HA H 10 4.047 3.934 0.113 1
1 121 . 7 1 1 A 10 10 LEU CA C 10 57.592 58.072 -0.480 1
1 122 . 7 1 1 A 10 10 LEU CB C 10 41.896 41.484 0.412 1
1 126 . 7 1 1 A 10 10 LEU N N 10 124.116 121.044 3.072 1
1 127 . 7 1 1 A 11 11 ARG H H 11 7.975 8.193 -0.218 1
1 128 . 7 1 1 A 11 11 ARG HA H 11 4.051 3.934 0.117 1
1 136 . 7 1 1 A 11 11 ARG CA C 11 58.881 59.866 -0.985 1
1 137 . 7 1 1 A 11 11 ARG CB C 11 29.959 29.962 -0.003 1
1 140 . 7 1 1 A 11 11 ARG N N 11 118.035 119.646 -1.611 1
1 142 . 7 1 1 A 12 12 LYS H H 12 7.928 7.607 0.321 1
1 143 . 7 1 1 A 12 12 LYS HA H 12 4.161 4.121 0.040 1
1 155 . 7 1 1 A 12 12 LYS CA C 12 59.020 59.257 -0.237 1
1 156 . 7 1 1 A 12 12 LYS CB C 12 32.512 32.195 0.317 1
1 160 . 7 1 1 A 12 12 LYS N N 12 118.806 118.229 0.577 1
1 161 . 7 1 1 A 13 13 GLY H H 13 8.079 8.035 0.044 1
1 162 . 7 1 1 A 13 13 GLY HA2 H 13 3.890 3.732 0.158 1
1 163 . 7 1 1 A 13 13 GLY HA3 H 13 3.890 3.751 0.139 1
1 164 . 7 1 1 A 13 13 GLY CA C 13 46.369 47.398 -1.029 1
1 165 . 7 1 1 A 13 13 GLY N N 13 106.212 107.940 -1.728 1
1 166 . 7 1 1 A 14 14 PHE H H 14 8.135 8.065 0.070 1
1 167 . 7 1 1 A 14 14 PHE HA H 14 4.436 4.129 0.307 1
1 175 . 7 1 1 A 14 14 PHE CA C 14 60.182 60.737 -0.555 1
1 176 . 7 1 1 A 14 14 PHE CB C 14 39.096 39.249 -0.153 1
1 180 . 7 1 1 A 15 15 TYR H H 15 8.230 8.123 0.107 1
1 181 . 7 1 1 A 15 15 TYR HA H 15 4.364 4.292 0.072 1
1 188 . 7 1 1 A 15 15 TYR CA C 15 60.249 60.115 0.134 1
1 189 . 7 1 1 A 15 15 TYR CB C 15 38.313 38.383 -0.070 1
1 194 . 7 1 1 A 15 15 TYR N N 15 119.420 119.569 -0.149 1
1 195 . 7 1 1 A 16 16 ASP H H 16 8.516 7.665 0.851 1
1 196 . 7 1 1 A 16 16 ASP HA H 16 4.652 5.033 -0.381 1
1 199 . 7 1 1 A 16 16 ASP CB C 16 37.561 41.514 -3.953 1
1 200 . 7 1 1 A 16 16 ASP N N 16 118.037 119.178 -1.141 1
1 201 . 7 1 1 A 17 17 GLY H H 17 7.858 7.795 0.063 1
1 202 . 7 1 1 A 17 17 GLY HA2 H 17 3.971 3.838 0.133 1
1 203 . 7 1 1 A 17 17 GLY HA3 H 17 3.971 4.034 -0.063 1
1 204 . 7 1 1 A 17 17 GLY CA C 17 46.025 45.822 0.203 1
1 205 . 7 1 1 A 17 17 GLY N N 17 107.457 108.354 -0.897 1
1 206 . 7 1 1 A 18 18 GLU H H 18 8.087 7.479 0.608 1
1 207 . 7 1 1 A 18 18 GLU HA H 18 4.215 4.074 0.141 1
1 212 . 7 1 1 A 18 18 GLU CB C 18 28.150 30.201 -2.051 1
1 214 . 7 1 1 A 18 18 GLU N N 18 119.806 121.982 -2.176 1
1 215 . 7 1 1 A 19 19 ALA H H 19 8.176 8.220 -0.044 1
1 216 . 7 1 1 A 19 19 ALA HA H 19 4.154 4.019 0.135 1
1 220 . 7 1 1 A 19 19 ALA CA C 19 54.191 54.720 -0.529 1
1 221 . 7 1 1 A 19 19 ALA CB C 19 17.953 18.487 -0.534 1
1 222 . 7 1 1 A 19 19 ALA N N 19 122.201 122.434 -0.233 1
1 223 . 7 1 1 A 20 20 GLY H H 20 8.049 8.386 -0.337 1
1 224 . 7 1 1 A 20 20 GLY HA2 H 20 3.918 3.897 0.021 1
1 225 . 7 1 1 A 20 20 GLY HA3 H 20 3.918 3.924 -0.006 1
1 226 . 7 1 1 A 20 20 GLY CA C 20 46.090 46.953 -0.863 1
1 227 . 7 1 1 A 20 20 GLY N N 20 104.575 105.415 -0.840 1
1 228 . 7 1 1 A 21 21 ARG H H 21 7.723 7.429 0.294 1
1 229 . 7 1 1 A 21 21 ARG HA H 21 4.289 4.163 0.126 1
1 237 . 7 1 1 A 21 21 ARG CA C 21 57.263 57.776 -0.513 1
1 238 . 7 1 1 A 21 21 ARG CB C 21 30.701 31.670 -0.969 1
1 241 . 7 1 1 A 21 21 ARG N N 21 119.035 121.091 -2.056 1
1 243 . 7 1 1 A 22 22 ALA H H 22 7.954 7.084 0.870 1
1 244 . 7 1 1 A 22 22 ALA HA H 22 4.321 4.481 -0.160 1
1 248 . 7 1 1 A 22 22 ALA CA C 22 53.247 51.999 1.248 1
1 249 . 7 1 1 A 22 22 ALA CB C 22 18.221 21.123 -2.902 1
1 250 . 7 1 1 A 22 22 ALA N N 22 122.098 117.853 4.245 1
1 251 . 7 1 1 A 23 23 ILE H H 23 7.705 8.806 -1.101 1
1 252 . 7 1 1 A 23 23 ILE HA H 23 4.162 3.790 0.372 1
1 262 . 7 1 1 A 23 23 ILE CA C 23 61.798 65.199 -3.401 1
1 263 . 7 1 1 A 23 23 ILE CB C 23 38.823 38.294 0.529 1
1 267 . 7 1 1 A 23 23 ILE N N 23 117.111 124.514 -7.403 1
1 268 . 7 1 1 A 24 24 ARG H H 24 7.926 7.921 0.005 1
1 269 . 7 1 1 A 24 24 ARG HA H 24 4.407 4.466 -0.059 1
1 277 . 7 1 1 A 24 24 ARG CA C 24 55.977 57.147 -1.170 1
1 278 . 7 1 1 A 24 24 ARG CB C 24 30.582 31.816 -1.234 1
1 281 . 7 1 1 A 24 24 ARG N N 24 122.716 118.577 4.139 1
1 4 . 8 1 1 A 2 2 ALA H H 2 8.663 8.573 0.090 1
1 5 . 8 1 1 A 2 2 ALA HA H 2 4.329 4.027 0.302 1
1 9 . 8 1 1 A 2 2 ALA CA C 2 54.217 54.497 -0.280 1
1 10 . 8 1 1 A 2 2 ALA CB C 2 18.718 18.260 0.458 1
1 11 . 8 1 1 A 2 2 ALA N N 2 123.890 124.929 -1.039 1
1 12 . 8 1 1 A 3 3 TRP H H 3 8.289 8.080 0.209 1
1 13 . 8 1 1 A 3 3 TRP HA H 3 4.629 4.473 0.156 1
1 22 . 8 1 1 A 3 3 TRP CB C 3 29.120 28.388 0.732 1
1 31 . 8 1 1 A 3 3 TRP N N 3 119.200 117.780 1.420 1
1 33 . 8 1 1 A 4 4 LYS H H 4 8.133 7.643 0.490 1
1 34 . 8 1 1 A 4 4 LYS HA H 4 4.160 4.025 0.135 1
1 46 . 8 1 1 A 4 4 LYS CA C 4 59.001 58.911 0.090 1
1 47 . 8 1 1 A 4 4 LYS CB C 4 32.524 31.090 1.434 1
1 51 . 8 1 1 A 5 5 ASN H H 5 8.141 7.770 0.371 1
1 52 . 8 1 1 A 5 5 ASN HA H 5 4.527 4.302 0.225 1
1 57 . 8 1 1 A 5 5 ASN CB C 5 37.852 38.280 -0.428 1
1 58 . 8 1 1 A 5 5 ASN N N 5 118.143 117.785 0.358 1
1 60 . 8 1 1 A 6 6 PHE H H 6 8.268 7.919 0.349 1
1 61 . 8 1 1 A 6 6 PHE HA H 6 4.233 4.189 0.044 1
1 69 . 8 1 1 A 6 6 PHE CA C 6 61.121 61.256 -0.135 1
1 70 . 8 1 1 A 6 6 PHE CB C 6 39.051 38.708 0.343 1
1 75 . 8 1 1 A 6 6 PHE N N 6 122.645 120.756 1.889 1
1 76 . 8 1 1 A 7 7 TRP H H 7 8.210 7.587 0.623 1
1 77 . 8 1 1 A 7 7 TRP HA H 7 4.218 4.022 0.196 1
1 86 . 8 1 1 A 7 7 TRP CA C 7 57.537 60.661 -3.124 1
1 87 . 8 1 1 A 7 7 TRP CB C 7 29.031 28.998 0.033 1
1 94 . 8 1 1 A 7 7 TRP N N 7 119.652 118.961 0.691 1
1 96 . 8 1 1 A 8 8 SER H H 8 8.313 8.132 0.181 1
1 97 . 8 1 1 A 8 8 SER HA H 8 4.211 4.102 0.109 1
1 100 . 8 1 1 A 8 8 SER CA C 8 60.128 61.652 -1.524 1
1 101 . 8 1 1 A 8 8 SER CB C 8 62.938 62.768 0.170 1
1 102 . 8 1 1 A 8 8 SER N N 8 113.442 115.980 -2.538 1
1 103 . 8 1 1 A 9 9 SER H H 9 7.864 7.707 0.157 1
1 104 . 8 1 1 A 9 9 SER HA H 9 4.255 4.140 0.115 1
1 107 . 8 1 1 A 9 9 SER CA C 9 61.797 62.399 -0.602 1
1 108 . 8 1 1 A 9 9 SER CB C 9 62.938 63.195 -0.257 1
1 109 . 8 1 1 A 9 9 SER N N 9 117.994 116.893 1.101 1
1 110 . 8 1 1 A 10 10 LEU H H 10 7.867 8.058 -0.191 1
1 111 . 8 1 1 A 10 10 LEU HA H 10 4.047 3.958 0.089 1
1 121 . 8 1 1 A 10 10 LEU CA C 10 57.592 58.150 -0.558 1
1 122 . 8 1 1 A 10 10 LEU CB C 10 41.896 41.465 0.431 1
1 126 . 8 1 1 A 10 10 LEU N N 10 124.116 120.870 3.246 1
1 127 . 8 1 1 A 11 11 ARG H H 11 7.975 8.119 -0.144 1
1 128 . 8 1 1 A 11 11 ARG HA H 11 4.051 3.992 0.059 1
1 136 . 8 1 1 A 11 11 ARG CA C 11 58.881 59.775 -0.894 1
1 137 . 8 1 1 A 11 11 ARG CB C 11 29.959 29.926 0.033 1
1 140 . 8 1 1 A 11 11 ARG N N 11 118.035 119.712 -1.677 1
1 142 . 8 1 1 A 12 12 LYS H H 12 7.928 7.526 0.402 1
1 143 . 8 1 1 A 12 12 LYS HA H 12 4.161 4.151 0.010 1
1 155 . 8 1 1 A 12 12 LYS CA C 12 59.020 59.494 -0.474 1
1 156 . 8 1 1 A 12 12 LYS CB C 12 32.512 32.324 0.188 1
1 160 . 8 1 1 A 12 12 LYS N N 12 118.806 118.081 0.725 1
1 161 . 8 1 1 A 13 13 GLY H H 13 8.079 7.970 0.109 1
1 162 . 8 1 1 A 13 13 GLY HA2 H 13 3.890 3.731 0.159 1
1 163 . 8 1 1 A 13 13 GLY HA3 H 13 3.890 3.748 0.142 1
1 164 . 8 1 1 A 13 13 GLY CA C 13 46.369 47.395 -1.026 1
1 165 . 8 1 1 A 13 13 GLY N N 13 106.212 108.374 -2.162 1
1 166 . 8 1 1 A 14 14 PHE H H 14 8.135 8.030 0.105 1
1 167 . 8 1 1 A 14 14 PHE HA H 14 4.436 4.131 0.305 1
1 175 . 8 1 1 A 14 14 PHE CA C 14 60.182 60.725 -0.543 1
1 176 . 8 1 1 A 14 14 PHE CB C 14 39.096 39.154 -0.058 1
1 180 . 8 1 1 A 15 15 TYR H H 15 8.230 8.373 -0.143 1
1 181 . 8 1 1 A 15 15 TYR HA H 15 4.364 4.308 0.056 1
1 188 . 8 1 1 A 15 15 TYR CA C 15 60.249 60.386 -0.137 1
1 189 . 8 1 1 A 15 15 TYR CB C 15 38.313 38.498 -0.185 1
1 194 . 8 1 1 A 15 15 TYR N N 15 119.420 119.759 -0.339 1
1 195 . 8 1 1 A 16 16 ASP H H 16 8.516 7.479 1.037 1
1 196 . 8 1 1 A 16 16 ASP HA H 16 4.652 4.977 -0.325 1
1 199 . 8 1 1 A 16 16 ASP CB C 16 37.561 41.525 -3.964 1
1 200 . 8 1 1 A 16 16 ASP N N 16 118.037 119.634 -1.597 1
1 201 . 8 1 1 A 17 17 GLY H H 17 7.858 8.314 -0.456 1
1 202 . 8 1 1 A 17 17 GLY HA2 H 17 3.971 3.520 0.451 1
1 203 . 8 1 1 A 17 17 GLY HA3 H 17 3.971 3.702 0.269 1
1 204 . 8 1 1 A 17 17 GLY CA C 17 46.025 46.389 -0.364 1
1 205 . 8 1 1 A 17 17 GLY N N 17 107.457 108.724 -1.267 1
1 206 . 8 1 1 A 18 18 GLU H H 18 8.087 7.496 0.591 1
1 207 . 8 1 1 A 18 18 GLU HA H 18 4.215 4.059 0.156 1
1 212 . 8 1 1 A 18 18 GLU CB C 18 28.150 30.326 -2.176 1
1 214 . 8 1 1 A 18 18 GLU N N 18 119.806 121.930 -2.124 1
1 215 . 8 1 1 A 19 19 ALA H H 19 8.176 8.403 -0.227 1
1 216 . 8 1 1 A 19 19 ALA HA H 19 4.154 4.294 -0.140 1
1 220 . 8 1 1 A 19 19 ALA CA C 19 54.191 54.834 -0.643 1
1 221 . 8 1 1 A 19 19 ALA CB C 19 17.953 18.402 -0.449 1
1 222 . 8 1 1 A 19 19 ALA N N 19 122.201 123.007 -0.806 1
1 223 . 8 1 1 A 20 20 GLY H H 20 8.049 8.500 -0.451 1
1 224 . 8 1 1 A 20 20 GLY HA2 H 20 3.918 3.908 0.010 1
1 225 . 8 1 1 A 20 20 GLY HA3 H 20 3.918 3.926 -0.008 1
1 226 . 8 1 1 A 20 20 GLY CA C 20 46.090 46.943 -0.853 1
1 227 . 8 1 1 A 20 20 GLY N N 20 104.575 105.455 -0.880 1
1 228 . 8 1 1 A 21 21 ARG H H 21 7.723 7.625 0.098 1
1 229 . 8 1 1 A 21 21 ARG HA H 21 4.289 4.320 -0.031 1
1 237 . 8 1 1 A 21 21 ARG CA C 21 57.263 57.244 0.019 1
1 238 . 8 1 1 A 21 21 ARG CB C 21 30.701 31.715 -1.014 1
1 241 . 8 1 1 A 21 21 ARG N N 21 119.035 120.854 -1.819 1
1 243 . 8 1 1 A 22 22 ALA H H 22 7.954 7.532 0.422 1
1 244 . 8 1 1 A 22 22 ALA HA H 22 4.321 4.587 -0.266 1
1 248 . 8 1 1 A 22 22 ALA CA C 22 53.247 51.716 1.531 1
1 249 . 8 1 1 A 22 22 ALA CB C 22 18.221 22.569 -4.348 1
1 250 . 8 1 1 A 22 22 ALA N N 22 122.098 117.334 4.764 1
1 251 . 8 1 1 A 23 23 ILE H H 23 7.705 8.744 -1.039 1
1 252 . 8 1 1 A 23 23 ILE HA H 23 4.162 4.102 0.060 1
1 262 . 8 1 1 A 23 23 ILE CA C 23 61.798 63.661 -1.863 1
1 263 . 8 1 1 A 23 23 ILE CB C 23 38.823 38.316 0.507 1
1 267 . 8 1 1 A 23 23 ILE N N 23 117.111 123.355 -6.244 1
1 268 . 8 1 1 A 24 24 ARG H H 24 7.926 7.608 0.318 1
1 269 . 8 1 1 A 24 24 ARG HA H 24 4.407 4.476 -0.069 1
1 277 . 8 1 1 A 24 24 ARG CA C 24 55.977 54.751 1.226 1
1 278 . 8 1 1 A 24 24 ARG CB C 24 30.582 29.426 1.156 1
1 281 . 8 1 1 A 24 24 ARG N N 24 122.716 117.071 5.645 1
1 4 . 9 1 1 A 2 2 ALA H H 2 8.663 9.138 -0.475 1
1 5 . 9 1 1 A 2 2 ALA HA H 2 4.329 3.937 0.392 1
1 9 . 9 1 1 A 2 2 ALA CA C 2 54.217 54.538 -0.321 1
1 10 . 9 1 1 A 2 2 ALA CB C 2 18.718 18.223 0.495 1
1 11 . 9 1 1 A 2 2 ALA N N 2 123.890 126.397 -2.507 1
1 12 . 9 1 1 A 3 3 TRP H H 3 8.289 8.202 0.087 1
1 13 . 9 1 1 A 3 3 TRP HA H 3 4.629 4.369 0.260 1
1 22 . 9 1 1 A 3 3 TRP CB C 3 29.120 28.040 1.080 1
1 31 . 9 1 1 A 3 3 TRP N N 3 119.200 117.696 1.504 1
1 33 . 9 1 1 A 4 4 LYS H H 4 8.133 7.004 1.129 1
1 34 . 9 1 1 A 4 4 LYS HA H 4 4.160 3.920 0.240 1
1 46 . 9 1 1 A 4 4 LYS CA C 4 59.001 58.770 0.231 1
1 47 . 9 1 1 A 4 4 LYS CB C 4 32.524 31.038 1.486 1
1 51 . 9 1 1 A 5 5 ASN H H 5 8.141 8.096 0.045 1
1 52 . 9 1 1 A 5 5 ASN HA H 5 4.527 4.369 0.158 1
1 57 . 9 1 1 A 5 5 ASN CB C 5 37.852 38.812 -0.960 1
1 58 . 9 1 1 A 5 5 ASN N N 5 118.143 117.716 0.427 1
1 60 . 9 1 1 A 6 6 PHE H H 6 8.268 8.029 0.239 1
1 61 . 9 1 1 A 6 6 PHE HA H 6 4.233 4.197 0.036 1
1 69 . 9 1 1 A 6 6 PHE CA C 6 61.121 61.330 -0.209 1
1 70 . 9 1 1 A 6 6 PHE CB C 6 39.051 38.740 0.311 1
1 75 . 9 1 1 A 6 6 PHE N N 6 122.645 119.918 2.727 1
1 76 . 9 1 1 A 7 7 TRP H H 7 8.210 7.869 0.341 1
1 77 . 9 1 1 A 7 7 TRP HA H 7 4.218 4.547 -0.329 1
1 86 . 9 1 1 A 7 7 TRP CA C 7 57.537 60.723 -3.186 1
1 87 . 9 1 1 A 7 7 TRP CB C 7 29.031 29.194 -0.163 1
1 94 . 9 1 1 A 7 7 TRP N N 7 119.652 119.685 -0.033 1
1 96 . 9 1 1 A 8 8 SER H H 8 8.313 8.256 0.057 1
1 97 . 9 1 1 A 8 8 SER HA H 8 4.211 4.189 0.022 1
1 100 . 9 1 1 A 8 8 SER CA C 8 60.128 62.101 -1.973 1
1 101 . 9 1 1 A 8 8 SER CB C 8 62.938 62.965 -0.027 1
1 102 . 9 1 1 A 8 8 SER N N 8 113.442 116.674 -3.232 1
1 103 . 9 1 1 A 9 9 SER H H 9 7.864 7.666 0.198 1
1 104 . 9 1 1 A 9 9 SER HA H 9 4.255 4.150 0.105 1
1 107 . 9 1 1 A 9 9 SER CA C 9 61.797 61.533 0.264 1
1 108 . 9 1 1 A 9 9 SER CB C 9 62.938 62.948 -0.010 1
1 109 . 9 1 1 A 9 9 SER N N 9 117.994 116.623 1.371 1
1 110 . 9 1 1 A 10 10 LEU H H 10 7.867 8.231 -0.364 1
1 111 . 9 1 1 A 10 10 LEU HA H 10 4.047 3.978 0.069 1
1 121 . 9 1 1 A 10 10 LEU CA C 10 57.592 58.212 -0.620 1
1 122 . 9 1 1 A 10 10 LEU CB C 10 41.896 41.802 0.094 1
1 126 . 9 1 1 A 10 10 LEU N N 10 124.116 121.345 2.771 1
1 127 . 9 1 1 A 11 11 ARG H H 11 7.975 8.327 -0.352 1
1 128 . 9 1 1 A 11 11 ARG HA H 11 4.051 4.125 -0.074 1
1 136 . 9 1 1 A 11 11 ARG CA C 11 58.881 60.221 -1.340 1
1 137 . 9 1 1 A 11 11 ARG CB C 11 29.959 30.156 -0.197 1
1 140 . 9 1 1 A 11 11 ARG N N 11 118.035 118.441 -0.406 1
1 142 . 9 1 1 A 12 12 LYS H H 12 7.928 7.514 0.414 1
1 143 . 9 1 1 A 12 12 LYS HA H 12 4.161 4.129 0.032 1
1 155 . 9 1 1 A 12 12 LYS CA C 12 59.020 59.437 -0.417 1
1 156 . 9 1 1 A 12 12 LYS CB C 12 32.512 32.221 0.291 1
1 160 . 9 1 1 A 12 12 LYS N N 12 118.806 119.776 -0.970 1
1 161 . 9 1 1 A 13 13 GLY H H 13 8.079 8.068 0.011 1
1 162 . 9 1 1 A 13 13 GLY HA2 H 13 3.890 3.736 0.154 1
1 163 . 9 1 1 A 13 13 GLY HA3 H 13 3.890 3.759 0.131 1
1 164 . 9 1 1 A 13 13 GLY CA C 13 46.369 47.404 -1.035 1
1 165 . 9 1 1 A 13 13 GLY N N 13 106.212 108.099 -1.887 1
1 166 . 9 1 1 A 14 14 PHE H H 14 8.135 8.190 -0.055 1
1 167 . 9 1 1 A 14 14 PHE HA H 14 4.436 4.148 0.288 1
1 175 . 9 1 1 A 14 14 PHE CA C 14 60.182 60.583 -0.401 1
1 176 . 9 1 1 A 14 14 PHE CB C 14 39.096 39.084 0.012 1
1 180 . 9 1 1 A 15 15 TYR H H 15 8.230 8.254 -0.024 1
1 181 . 9 1 1 A 15 15 TYR HA H 15 4.364 3.917 0.447 1
1 188 . 9 1 1 A 15 15 TYR CA C 15 60.249 60.396 -0.147 1
1 189 . 9 1 1 A 15 15 TYR CB C 15 38.313 38.269 0.044 1
1 194 . 9 1 1 A 15 15 TYR N N 15 119.420 119.498 -0.078 1
1 195 . 9 1 1 A 16 16 ASP H H 16 8.516 7.419 1.097 1
1 196 . 9 1 1 A 16 16 ASP HA H 16 4.652 4.956 -0.304 1
1 199 . 9 1 1 A 16 16 ASP CB C 16 37.561 41.442 -3.881 1
1 200 . 9 1 1 A 16 16 ASP N N 16 118.037 119.632 -1.595 1
1 201 . 9 1 1 A 17 17 GLY H H 17 7.858 8.007 -0.149 1
1 202 . 9 1 1 A 17 17 GLY HA2 H 17 3.971 3.908 0.063 1
1 203 . 9 1 1 A 17 17 GLY HA3 H 17 3.971 3.935 0.036 1
1 204 . 9 1 1 A 17 17 GLY CA C 17 46.025 46.435 -0.410 1
1 205 . 9 1 1 A 17 17 GLY N N 17 107.457 108.706 -1.249 1
1 206 . 9 1 1 A 18 18 GLU H H 18 8.087 7.434 0.653 1
1 207 . 9 1 1 A 18 18 GLU HA H 18 4.215 4.184 0.031 1
1 212 . 9 1 1 A 18 18 GLU CB C 18 28.150 30.257 -2.107 1
1 214 . 9 1 1 A 18 18 GLU N N 18 119.806 121.291 -1.485 1
1 215 . 9 1 1 A 19 19 ALA H H 19 8.176 7.952 0.224 1
1 216 . 9 1 1 A 19 19 ALA HA H 19 4.154 4.230 -0.076 1
1 220 . 9 1 1 A 19 19 ALA CA C 19 54.191 54.663 -0.472 1
1 221 . 9 1 1 A 19 19 ALA CB C 19 17.953 18.169 -0.216 1
1 222 . 9 1 1 A 19 19 ALA N N 19 122.201 122.402 -0.201 1
1 223 . 9 1 1 A 20 20 GLY H H 20 8.049 8.320 -0.271 1
1 224 . 9 1 1 A 20 20 GLY HA2 H 20 3.918 3.868 0.050 1
1 225 . 9 1 1 A 20 20 GLY HA3 H 20 3.918 3.877 0.041 1
1 226 . 9 1 1 A 20 20 GLY CA C 20 46.090 46.882 -0.792 1
1 227 . 9 1 1 A 20 20 GLY N N 20 104.575 105.356 -0.781 1
1 228 . 9 1 1 A 21 21 ARG H H 21 7.723 7.448 0.275 1
1 229 . 9 1 1 A 21 21 ARG HA H 21 4.289 4.144 0.145 1
1 237 . 9 1 1 A 21 21 ARG CA C 21 57.263 58.009 -0.746 1
1 238 . 9 1 1 A 21 21 ARG CB C 21 30.701 31.400 -0.699 1
1 241 . 9 1 1 A 21 21 ARG N N 21 119.035 121.130 -2.095 1
1 243 . 9 1 1 A 22 22 ALA H H 22 7.954 7.042 0.912 1
1 244 . 9 1 1 A 22 22 ALA HA H 22 4.321 4.569 -0.248 1
1 248 . 9 1 1 A 22 22 ALA CA C 22 53.247 51.726 1.521 1
1 249 . 9 1 1 A 22 22 ALA CB C 22 18.221 21.600 -3.379 1
1 250 . 9 1 1 A 22 22 ALA N N 22 122.098 117.608 4.490 1
1 251 . 9 1 1 A 23 23 ILE H H 23 7.705 8.743 -1.038 1
1 252 . 9 1 1 A 23 23 ILE HA H 23 4.162 4.192 -0.030 1
1 262 . 9 1 1 A 23 23 ILE CA C 23 61.798 62.667 -0.869 1
1 263 . 9 1 1 A 23 23 ILE CB C 23 38.823 39.183 -0.360 1
1 267 . 9 1 1 A 23 23 ILE N N 23 117.111 123.941 -6.830 1
1 268 . 9 1 1 A 24 24 ARG H H 24 7.926 8.073 -0.147 1
1 269 . 9 1 1 A 24 24 ARG HA H 24 4.407 4.526 -0.119 1
1 277 . 9 1 1 A 24 24 ARG CA C 24 55.977 55.052 0.925 1
1 278 . 9 1 1 A 24 24 ARG CB C 24 30.582 30.463 0.119 1
1 281 . 9 1 1 A 24 24 ARG N N 24 122.716 117.870 4.846 1
1 4 . 10 1 1 A 2 2 ALA H H 2 8.663 8.479 0.184 1
1 5 . 10 1 1 A 2 2 ALA HA H 2 4.329 4.426 -0.097 1
1 9 . 10 1 1 A 2 2 ALA CA C 2 54.217 52.760 1.457 1
1 10 . 10 1 1 A 2 2 ALA CB C 2 18.718 21.449 -2.731 1
1 11 . 10 1 1 A 2 2 ALA N N 2 123.890 121.120 2.770 1
1 12 . 10 1 1 A 3 3 TRP H H 3 8.289 8.510 -0.221 1
1 13 . 10 1 1 A 3 3 TRP HA H 3 4.629 4.440 0.189 1
1 22 . 10 1 1 A 3 3 TRP CB C 3 29.120 28.622 0.498 1
1 31 . 10 1 1 A 3 3 TRP N N 3 119.200 117.450 1.750 1
1 33 . 10 1 1 A 4 4 LYS H H 4 8.133 7.545 0.588 1
1 34 . 10 1 1 A 4 4 LYS HA H 4 4.160 3.824 0.336 1
1 46 . 10 1 1 A 4 4 LYS CA C 4 59.001 58.947 0.054 1
1 47 . 10 1 1 A 4 4 LYS CB C 4 32.524 31.209 1.315 1
1 51 . 10 1 1 A 5 5 ASN H H 5 8.141 7.977 0.164 1
1 52 . 10 1 1 A 5 5 ASN HA H 5 4.527 4.345 0.182 1
1 57 . 10 1 1 A 5 5 ASN CB C 5 37.852 39.377 -1.525 1
1 58 . 10 1 1 A 5 5 ASN N N 5 118.143 117.451 0.692 1
1 60 . 10 1 1 A 6 6 PHE H H 6 8.268 8.009 0.259 1
1 61 . 10 1 1 A 6 6 PHE HA H 6 4.233 4.103 0.130 1
1 69 . 10 1 1 A 6 6 PHE CA C 6 61.121 61.266 -0.145 1
1 70 . 10 1 1 A 6 6 PHE CB C 6 39.051 38.502 0.549 1
1 75 . 10 1 1 A 6 6 PHE N N 6 122.645 120.380 2.265 1
1 76 . 10 1 1 A 7 7 TRP H H 7 8.210 7.821 0.389 1
1 77 . 10 1 1 A 7 7 TRP HA H 7 4.218 4.495 -0.277 1
1 86 . 10 1 1 A 7 7 TRP CA C 7 57.537 60.616 -3.079 1
1 87 . 10 1 1 A 7 7 TRP CB C 7 29.031 29.249 -0.218 1
1 94 . 10 1 1 A 7 7 TRP N N 7 119.652 119.586 0.066 1
1 96 . 10 1 1 A 8 8 SER H H 8 8.313 8.469 -0.156 1
1 97 . 10 1 1 A 8 8 SER HA H 8 4.211 4.122 0.089 1
1 100 . 10 1 1 A 8 8 SER CA C 8 60.128 62.185 -2.057 1
1 101 . 10 1 1 A 8 8 SER CB C 8 62.938 62.909 0.029 1
1 102 . 10 1 1 A 8 8 SER N N 8 113.442 116.635 -3.193 1
1 103 . 10 1 1 A 9 9 SER H H 9 7.864 7.693 0.171 1
1 104 . 10 1 1 A 9 9 SER HA H 9 4.255 4.192 0.063 1
1 107 . 10 1 1 A 9 9 SER CA C 9 61.797 61.846 -0.049 1
1 108 . 10 1 1 A 9 9 SER CB C 9 62.938 63.081 -0.143 1
1 109 . 10 1 1 A 9 9 SER N N 9 117.994 116.827 1.167 1
1 110 . 10 1 1 A 10 10 LEU H H 10 7.867 8.207 -0.340 1
1 111 . 10 1 1 A 10 10 LEU HA H 10 4.047 4.052 -0.005 1
1 121 . 10 1 1 A 10 10 LEU CA C 10 57.592 58.303 -0.711 1
1 122 . 10 1 1 A 10 10 LEU CB C 10 41.896 41.711 0.185 1
1 126 . 10 1 1 A 10 10 LEU N N 10 124.116 121.539 2.577 1
1 127 . 10 1 1 A 11 11 ARG H H 11 7.975 8.702 -0.727 1
1 128 . 10 1 1 A 11 11 ARG HA H 11 4.051 4.109 -0.058 1
1 136 . 10 1 1 A 11 11 ARG CA C 11 58.881 60.145 -1.264 1
1 137 . 10 1 1 A 11 11 ARG CB C 11 29.959 30.174 -0.215 1
1 140 . 10 1 1 A 11 11 ARG N N 11 118.035 118.384 -0.349 1
1 142 . 10 1 1 A 12 12 LYS H H 12 7.928 8.103 -0.175 1
1 143 . 10 1 1 A 12 12 LYS HA H 12 4.161 4.147 0.014 1
1 155 . 10 1 1 A 12 12 LYS CA C 12 59.020 59.468 -0.448 1
1 156 . 10 1 1 A 12 12 LYS CB C 12 32.512 32.557 -0.045 1
1 160 . 10 1 1 A 12 12 LYS N N 12 118.806 119.842 -1.036 1
1 161 . 10 1 1 A 13 13 GLY H H 13 8.079 8.053 0.026 1
1 162 . 10 1 1 A 13 13 GLY HA2 H 13 3.890 3.644 0.246 1
1 163 . 10 1 1 A 13 13 GLY HA3 H 13 3.890 3.675 0.215 1
1 164 . 10 1 1 A 13 13 GLY CA C 13 46.369 47.475 -1.106 1
1 165 . 10 1 1 A 13 13 GLY N N 13 106.212 107.791 -1.579 1
1 166 . 10 1 1 A 14 14 PHE H H 14 8.135 8.470 -0.335 1
1 167 . 10 1 1 A 14 14 PHE HA H 14 4.436 4.158 0.278 1
1 175 . 10 1 1 A 14 14 PHE CA C 14 60.182 60.618 -0.436 1
1 176 . 10 1 1 A 14 14 PHE CB C 14 39.096 39.191 -0.095 1
1 180 . 10 1 1 A 15 15 TYR H H 15 8.230 8.454 -0.224 1
1 181 . 10 1 1 A 15 15 TYR HA H 15 4.364 4.259 0.105 1
1 188 . 10 1 1 A 15 15 TYR CA C 15 60.249 61.612 -1.363 1
1 189 . 10 1 1 A 15 15 TYR CB C 15 38.313 39.134 -0.821 1
1 194 . 10 1 1 A 15 15 TYR N N 15 119.420 119.742 -0.322 1
1 195 . 10 1 1 A 16 16 ASP H H 16 8.516 7.585 0.931 1
1 196 . 10 1 1 A 16 16 ASP HA H 16 4.652 5.014 -0.362 1
1 199 . 10 1 1 A 16 16 ASP CB C 16 37.561 41.501 -3.940 1
1 200 . 10 1 1 A 16 16 ASP N N 16 118.037 118.704 -0.667 1
1 201 . 10 1 1 A 17 17 GLY H H 17 7.858 8.256 -0.398 1
1 202 . 10 1 1 A 17 17 GLY HA2 H 17 3.971 3.633 0.338 1
1 203 . 10 1 1 A 17 17 GLY HA3 H 17 3.971 3.732 0.239 1
1 204 . 10 1 1 A 17 17 GLY CA C 17 46.025 46.400 -0.375 1
1 205 . 10 1 1 A 17 17 GLY N N 17 107.457 108.614 -1.157 1
1 206 . 10 1 1 A 18 18 GLU H H 18 8.087 6.988 1.099 1
1 207 . 10 1 1 A 18 18 GLU HA H 18 4.215 4.050 0.165 1
1 212 . 10 1 1 A 18 18 GLU CB C 18 28.150 29.805 -1.655 1
1 214 . 10 1 1 A 18 18 GLU N N 18 119.806 120.942 -1.136 1
1 215 . 10 1 1 A 19 19 ALA H H 19 8.176 7.884 0.292 1
1 216 . 10 1 1 A 19 19 ALA HA H 19 4.154 3.997 0.157 1
1 220 . 10 1 1 A 19 19 ALA CA C 19 54.191 54.619 -0.428 1
1 221 . 10 1 1 A 19 19 ALA CB C 19 17.953 18.129 -0.176 1
1 222 . 10 1 1 A 19 19 ALA N N 19 122.201 121.970 0.231 1
1 223 . 10 1 1 A 20 20 GLY H H 20 8.049 8.342 -0.293 1
1 224 . 10 1 1 A 20 20 GLY HA2 H 20 3.918 3.859 0.059 1
1 225 . 10 1 1 A 20 20 GLY HA3 H 20 3.918 3.883 0.035 1
1 226 . 10 1 1 A 20 20 GLY CA C 20 46.090 46.988 -0.898 1
1 227 . 10 1 1 A 20 20 GLY N N 20 104.575 105.827 -1.252 1
1 228 . 10 1 1 A 21 21 ARG H H 21 7.723 7.691 0.032 1
1 229 . 10 1 1 A 21 21 ARG HA H 21 4.289 4.131 0.158 1
1 237 . 10 1 1 A 21 21 ARG CA C 21 57.263 58.152 -0.889 1
1 238 . 10 1 1 A 21 21 ARG CB C 21 30.701 31.322 -0.621 1
1 241 . 10 1 1 A 21 21 ARG N N 21 119.035 121.160 -2.125 1
1 243 . 10 1 1 A 22 22 ALA H H 22 7.954 7.501 0.453 1
1 244 . 10 1 1 A 22 22 ALA HA H 22 4.321 4.500 -0.179 1
1 248 . 10 1 1 A 22 22 ALA CA C 22 53.247 52.063 1.184 1
1 249 . 10 1 1 A 22 22 ALA CB C 22 18.221 20.965 -2.744 1
1 250 . 10 1 1 A 22 22 ALA N N 22 122.098 117.740 4.358 1
1 251 . 10 1 1 A 23 23 ILE H H 23 7.705 8.697 -0.992 1
1 252 . 10 1 1 A 23 23 ILE HA H 23 4.162 4.085 0.077 1
1 262 . 10 1 1 A 23 23 ILE CA C 23 61.798 63.241 -1.443 1
1 263 . 10 1 1 A 23 23 ILE CB C 23 38.823 38.622 0.201 1
1 267 . 10 1 1 A 23 23 ILE N N 23 117.111 124.577 -7.466 1
1 268 . 10 1 1 A 24 24 ARG H H 24 7.926 7.655 0.271 1
1 269 . 10 1 1 A 24 24 ARG HA H 24 4.407 4.498 -0.091 1
1 277 . 10 1 1 A 24 24 ARG CA C 24 55.977 54.607 1.370 1
1 278 . 10 1 1 A 24 24 ARG CB C 24 30.582 29.973 0.609 1
1 281 . 10 1 1 A 24 24 ARG N N 24 122.716 116.996 5.720 1
1 4 . 11 1 1 A 2 2 ALA H H 2 8.663 7.334 1.329 1
1 5 . 11 1 1 A 2 2 ALA HA H 2 4.329 4.397 -0.068 1
1 9 . 11 1 1 A 2 2 ALA CA C 2 54.217 52.903 1.314 1
1 10 . 11 1 1 A 2 2 ALA CB C 2 18.718 21.201 -2.483 1
1 11 . 11 1 1 A 2 2 ALA N N 2 123.890 118.603 5.287 1
1 12 . 11 1 1 A 3 3 TRP H H 3 8.289 8.301 -0.012 1
1 13 . 11 1 1 A 3 3 TRP HA H 3 4.629 4.451 0.178 1
1 22 . 11 1 1 A 3 3 TRP CB C 3 29.120 28.767 0.353 1
1 31 . 11 1 1 A 3 3 TRP N N 3 119.200 117.768 1.432 1
1 33 . 11 1 1 A 4 4 LYS H H 4 8.133 7.644 0.489 1
1 34 . 11 1 1 A 4 4 LYS HA H 4 4.160 4.027 0.133 1
1 46 . 11 1 1 A 4 4 LYS CA C 4 59.001 58.903 0.098 1
1 47 . 11 1 1 A 4 4 LYS CB C 4 32.524 31.078 1.446 1
1 51 . 11 1 1 A 5 5 ASN H H 5 8.141 8.029 0.112 1
1 52 . 11 1 1 A 5 5 ASN HA H 5 4.527 4.339 0.188 1
1 57 . 11 1 1 A 5 5 ASN CB C 5 37.852 38.364 -0.512 1
1 58 . 11 1 1 A 5 5 ASN N N 5 118.143 117.485 0.658 1
1 60 . 11 1 1 A 6 6 PHE H H 6 8.268 8.005 0.263 1
1 61 . 11 1 1 A 6 6 PHE HA H 6 4.233 4.214 0.019 1
1 69 . 11 1 1 A 6 6 PHE CA C 6 61.121 61.339 -0.218 1
1 70 . 11 1 1 A 6 6 PHE CB C 6 39.051 38.829 0.222 1
1 75 . 11 1 1 A 6 6 PHE N N 6 122.645 120.998 1.647 1
1 76 . 11 1 1 A 7 7 TRP H H 7 8.210 7.976 0.234 1
1 77 . 11 1 1 A 7 7 TRP HA H 7 4.218 4.519 -0.301 1
1 86 . 11 1 1 A 7 7 TRP CA C 7 57.537 60.591 -3.054 1
1 87 . 11 1 1 A 7 7 TRP CB C 7 29.031 29.130 -0.099 1
1 94 . 11 1 1 A 7 7 TRP N N 7 119.652 119.549 0.103 1
1 96 . 11 1 1 A 8 8 SER H H 8 8.313 8.182 0.131 1
1 97 . 11 1 1 A 8 8 SER HA H 8 4.211 4.124 0.087 1
1 100 . 11 1 1 A 8 8 SER CA C 8 60.128 61.797 -1.669 1
1 101 . 11 1 1 A 8 8 SER CB C 8 62.938 62.832 0.106 1
1 102 . 11 1 1 A 8 8 SER N N 8 113.442 115.443 -2.001 1
1 103 . 11 1 1 A 9 9 SER H H 9 7.864 7.727 0.137 1
1 104 . 11 1 1 A 9 9 SER HA H 9 4.255 4.126 0.129 1
1 107 . 11 1 1 A 9 9 SER CA C 9 61.797 61.601 0.196 1
1 108 . 11 1 1 A 9 9 SER CB C 9 62.938 63.002 -0.064 1
1 109 . 11 1 1 A 9 9 SER N N 9 117.994 115.397 2.597 1
1 110 . 11 1 1 A 10 10 LEU H H 10 7.867 8.230 -0.363 1
1 111 . 11 1 1 A 10 10 LEU HA H 10 4.047 4.074 -0.027 1
1 121 . 11 1 1 A 10 10 LEU CA C 10 57.592 58.206 -0.614 1
1 122 . 11 1 1 A 10 10 LEU CB C 10 41.896 41.595 0.301 1
1 126 . 11 1 1 A 10 10 LEU N N 10 124.116 122.029 2.087 1
1 127 . 11 1 1 A 11 11 ARG H H 11 7.975 8.430 -0.455 1
1 128 . 11 1 1 A 11 11 ARG HA H 11 4.051 4.090 -0.039 1
1 136 . 11 1 1 A 11 11 ARG CA C 11 58.881 60.150 -1.269 1
1 137 . 11 1 1 A 11 11 ARG CB C 11 29.959 30.235 -0.276 1
1 140 . 11 1 1 A 11 11 ARG N N 11 118.035 118.835 -0.800 1
1 142 . 11 1 1 A 12 12 LYS H H 12 7.928 7.775 0.153 1
1 143 . 11 1 1 A 12 12 LYS HA H 12 4.161 4.120 0.041 1
1 155 . 11 1 1 A 12 12 LYS CA C 12 59.020 59.465 -0.445 1
1 156 . 11 1 1 A 12 12 LYS CB C 12 32.512 32.462 0.050 1
1 160 . 11 1 1 A 12 12 LYS N N 12 118.806 119.692 -0.886 1
1 161 . 11 1 1 A 13 13 GLY H H 13 8.079 7.817 0.262 1
1 162 . 11 1 1 A 13 13 GLY HA2 H 13 3.890 3.642 0.248 1
1 163 . 11 1 1 A 13 13 GLY HA3 H 13 3.890 3.670 0.220 1
1 164 . 11 1 1 A 13 13 GLY CA C 13 46.369 47.486 -1.117 1
1 165 . 11 1 1 A 13 13 GLY N N 13 106.212 107.746 -1.534 1
1 166 . 11 1 1 A 14 14 PHE H H 14 8.135 8.061 0.074 1
1 167 . 11 1 1 A 14 14 PHE HA H 14 4.436 4.149 0.287 1
1 175 . 11 1 1 A 14 14 PHE CA C 14 60.182 60.783 -0.601 1
1 176 . 11 1 1 A 14 14 PHE CB C 14 39.096 39.303 -0.207 1
1 180 . 11 1 1 A 15 15 TYR H H 15 8.230 8.407 -0.177 1
1 181 . 11 1 1 A 15 15 TYR HA H 15 4.364 4.298 0.066 1
1 188 . 11 1 1 A 15 15 TYR CA C 15 60.249 60.576 -0.327 1
1 189 . 11 1 1 A 15 15 TYR CB C 15 38.313 38.687 -0.374 1
1 194 . 11 1 1 A 15 15 TYR N N 15 119.420 119.938 -0.518 1
1 195 . 11 1 1 A 16 16 ASP H H 16 8.516 7.509 1.007 1
1 196 . 11 1 1 A 16 16 ASP HA H 16 4.652 4.945 -0.293 1
1 199 . 11 1 1 A 16 16 ASP CB C 16 37.561 41.523 -3.962 1
1 200 . 11 1 1 A 16 16 ASP N N 16 118.037 119.314 -1.277 1
1 201 . 11 1 1 A 17 17 GLY H H 17 7.858 8.272 -0.414 1
1 202 . 11 1 1 A 17 17 GLY HA2 H 17 3.971 3.495 0.476 1
1 203 . 11 1 1 A 17 17 GLY HA3 H 17 3.971 3.686 0.285 1
1 204 . 11 1 1 A 17 17 GLY CA C 17 46.025 46.337 -0.312 1
1 205 . 11 1 1 A 17 17 GLY N N 17 107.457 108.653 -1.196 1
1 206 . 11 1 1 A 18 18 GLU H H 18 8.087 7.079 1.008 1
1 207 . 11 1 1 A 18 18 GLU HA H 18 4.215 4.043 0.172 1
1 212 . 11 1 1 A 18 18 GLU CB C 18 28.150 30.083 -1.933 1
1 214 . 11 1 1 A 18 18 GLU N N 18 119.806 120.958 -1.152 1
1 215 . 11 1 1 A 19 19 ALA H H 19 8.176 8.010 0.166 1
1 216 . 11 1 1 A 19 19 ALA HA H 19 4.154 3.997 0.157 1
1 220 . 11 1 1 A 19 19 ALA CA C 19 54.191 54.667 -0.476 1
1 221 . 11 1 1 A 19 19 ALA CB C 19 17.953 18.163 -0.210 1
1 222 . 11 1 1 A 19 19 ALA N N 19 122.201 121.545 0.656 1
1 223 . 11 1 1 A 20 20 GLY H H 20 8.049 8.323 -0.274 1
1 224 . 11 1 1 A 20 20 GLY HA2 H 20 3.918 3.788 0.130 1
1 225 . 11 1 1 A 20 20 GLY HA3 H 20 3.918 3.815 0.103 1
1 226 . 11 1 1 A 20 20 GLY CA C 20 46.090 47.190 -1.100 1
1 227 . 11 1 1 A 20 20 GLY N N 20 104.575 105.734 -1.159 1
1 228 . 11 1 1 A 21 21 ARG H H 21 7.723 7.611 0.112 1
1 229 . 11 1 1 A 21 21 ARG HA H 21 4.289 4.139 0.150 1
1 237 . 11 1 1 A 21 21 ARG CA C 21 57.263 57.985 -0.722 1
1 238 . 11 1 1 A 21 21 ARG CB C 21 30.701 31.349 -0.648 1
1 241 . 11 1 1 A 21 21 ARG N N 21 119.035 121.087 -2.052 1
1 243 . 11 1 1 A 22 22 ALA H H 22 7.954 6.978 0.976 1
1 244 . 11 1 1 A 22 22 ALA HA H 22 4.321 4.443 -0.122 1
1 248 . 11 1 1 A 22 22 ALA CA C 22 53.247 52.153 1.094 1
1 249 . 11 1 1 A 22 22 ALA CB C 22 18.221 20.763 -2.542 1
1 250 . 11 1 1 A 22 22 ALA N N 22 122.098 117.838 4.260 1
1 251 . 11 1 1 A 23 23 ILE H H 23 7.705 8.794 -1.089 1
1 252 . 11 1 1 A 23 23 ILE HA H 23 4.162 3.862 0.300 1
1 262 . 11 1 1 A 23 23 ILE CA C 23 61.798 64.575 -2.777 1
1 263 . 11 1 1 A 23 23 ILE CB C 23 38.823 37.778 1.045 1
1 267 . 11 1 1 A 23 23 ILE N N 23 117.111 124.182 -7.071 1
1 268 . 11 1 1 A 24 24 ARG H H 24 7.926 8.058 -0.132 1
1 269 . 11 1 1 A 24 24 ARG HA H 24 4.407 4.468 -0.061 1
1 277 . 11 1 1 A 24 24 ARG CA C 24 55.977 57.013 -1.036 1
1 278 . 11 1 1 A 24 24 ARG CB C 24 30.582 32.417 -1.835 1
1 281 . 11 1 1 A 24 24 ARG N N 24 122.716 119.555 3.161 1
1 4 . 12 1 1 A 2 2 ALA H H 2 8.663 8.277 0.386 1
1 5 . 12 1 1 A 2 2 ALA HA H 2 4.329 4.398 -0.069 1
1 9 . 12 1 1 A 2 2 ALA CA C 2 54.217 52.758 1.459 1
1 10 . 12 1 1 A 2 2 ALA CB C 2 18.718 21.253 -2.535 1
1 11 . 12 1 1 A 2 2 ALA N N 2 123.890 126.835 -2.945 1
1 12 . 12 1 1 A 3 3 TRP H H 3 8.289 8.442 -0.153 1
1 13 . 12 1 1 A 3 3 TRP HA H 3 4.629 4.437 0.192 1
1 22 . 12 1 1 A 3 3 TRP CB C 3 29.120 28.666 0.454 1
1 31 . 12 1 1 A 3 3 TRP N N 3 119.200 117.728 1.472 1
1 33 . 12 1 1 A 4 4 LYS H H 4 8.133 7.512 0.621 1
1 34 . 12 1 1 A 4 4 LYS HA H 4 4.160 3.843 0.317 1
1 46 . 12 1 1 A 4 4 LYS CA C 4 59.001 58.865 0.136 1
1 47 . 12 1 1 A 4 4 LYS CB C 4 32.524 31.117 1.407 1
1 51 . 12 1 1 A 5 5 ASN H H 5 8.141 7.954 0.187 1
1 52 . 12 1 1 A 5 5 ASN HA H 5 4.527 4.331 0.196 1
1 57 . 12 1 1 A 5 5 ASN CB C 5 37.852 38.914 -1.062 1
1 58 . 12 1 1 A 5 5 ASN N N 5 118.143 117.292 0.851 1
1 60 . 12 1 1 A 6 6 PHE H H 6 8.268 8.008 0.260 1
1 61 . 12 1 1 A 6 6 PHE HA H 6 4.233 4.189 0.044 1
1 69 . 12 1 1 A 6 6 PHE CA C 6 61.121 61.376 -0.255 1
1 70 . 12 1 1 A 6 6 PHE CB C 6 39.051 38.692 0.359 1
1 75 . 12 1 1 A 6 6 PHE N N 6 122.645 119.809 2.836 1
1 76 . 12 1 1 A 7 7 TRP H H 7 8.210 7.870 0.340 1
1 77 . 12 1 1 A 7 7 TRP HA H 7 4.218 4.480 -0.262 1
1 86 . 12 1 1 A 7 7 TRP CA C 7 57.537 60.650 -3.113 1
1 87 . 12 1 1 A 7 7 TRP CB C 7 29.031 28.912 0.119 1
1 94 . 12 1 1 A 7 7 TRP N N 7 119.652 119.586 0.066 1
1 96 . 12 1 1 A 8 8 SER H H 8 8.313 8.341 -0.028 1
1 97 . 12 1 1 A 8 8 SER HA H 8 4.211 4.176 0.035 1
1 100 . 12 1 1 A 8 8 SER CA C 8 60.128 61.687 -1.559 1
1 101 . 12 1 1 A 8 8 SER CB C 8 62.938 63.003 -0.065 1
1 102 . 12 1 1 A 8 8 SER N N 8 113.442 115.597 -2.155 1
1 103 . 12 1 1 A 9 9 SER H H 9 7.864 7.760 0.104 1
1 104 . 12 1 1 A 9 9 SER HA H 9 4.255 4.113 0.142 1
1 107 . 12 1 1 A 9 9 SER CA C 9 61.797 62.394 -0.597 1
1 108 . 12 1 1 A 9 9 SER CB C 9 62.938 63.050 -0.112 1
1 109 . 12 1 1 A 9 9 SER N N 9 117.994 117.221 0.773 1
1 110 . 12 1 1 A 10 10 LEU H H 10 7.867 8.243 -0.376 1
1 111 . 12 1 1 A 10 10 LEU HA H 10 4.047 4.065 -0.018 1
1 121 . 12 1 1 A 10 10 LEU CA C 10 57.592 58.208 -0.616 1
1 122 . 12 1 1 A 10 10 LEU CB C 10 41.896 41.574 0.322 1
1 126 . 12 1 1 A 10 10 LEU N N 10 124.116 121.014 3.102 1
1 127 . 12 1 1 A 11 11 ARG H H 11 7.975 8.121 -0.146 1
1 128 . 12 1 1 A 11 11 ARG HA H 11 4.051 4.024 0.027 1
1 136 . 12 1 1 A 11 11 ARG CA C 11 58.881 59.962 -1.081 1
1 137 . 12 1 1 A 11 11 ARG CB C 11 29.959 30.124 -0.165 1
1 140 . 12 1 1 A 11 11 ARG N N 11 118.035 120.115 -2.080 1
1 142 . 12 1 1 A 12 12 LYS H H 12 7.928 7.625 0.303 1
1 143 . 12 1 1 A 12 12 LYS HA H 12 4.161 4.137 0.024 1
1 155 . 12 1 1 A 12 12 LYS CA C 12 59.020 59.437 -0.417 1
1 156 . 12 1 1 A 12 12 LYS CB C 12 32.512 32.348 0.164 1
1 160 . 12 1 1 A 12 12 LYS N N 12 118.806 118.203 0.603 1
1 161 . 12 1 1 A 13 13 GLY H H 13 8.079 7.876 0.203 1
1 162 . 12 1 1 A 13 13 GLY HA2 H 13 3.890 3.690 0.200 1
1 163 . 12 1 1 A 13 13 GLY HA3 H 13 3.890 3.720 0.170 1
1 164 . 12 1 1 A 13 13 GLY CA C 13 46.369 47.414 -1.045 1
1 165 . 12 1 1 A 13 13 GLY N N 13 106.212 108.073 -1.861 1
1 166 . 12 1 1 A 14 14 PHE H H 14 8.135 8.134 0.001 1
1 167 . 12 1 1 A 14 14 PHE HA H 14 4.436 4.150 0.286 1
1 175 . 12 1 1 A 14 14 PHE CA C 14 60.182 60.777 -0.595 1
1 176 . 12 1 1 A 14 14 PHE CB C 14 39.096 39.290 -0.194 1
1 180 . 12 1 1 A 15 15 TYR H H 15 8.230 8.336 -0.106 1
1 181 . 12 1 1 A 15 15 TYR HA H 15 4.364 4.304 0.060 1
1 188 . 12 1 1 A 15 15 TYR CA C 15 60.249 60.299 -0.050 1
1 189 . 12 1 1 A 15 15 TYR CB C 15 38.313 38.519 -0.206 1
1 194 . 12 1 1 A 15 15 TYR N N 15 119.420 119.925 -0.505 1
1 195 . 12 1 1 A 16 16 ASP H H 16 8.516 7.632 0.884 1
1 196 . 12 1 1 A 16 16 ASP HA H 16 4.652 5.049 -0.397 1
1 199 . 12 1 1 A 16 16 ASP CB C 16 37.561 41.433 -3.872 1
1 200 . 12 1 1 A 16 16 ASP N N 16 118.037 118.768 -0.731 1
1 201 . 12 1 1 A 17 17 GLY H H 17 7.858 8.324 -0.466 1
1 202 . 12 1 1 A 17 17 GLY HA2 H 17 3.971 3.479 0.492 1
1 203 . 12 1 1 A 17 17 GLY HA3 H 17 3.971 3.684 0.287 1
1 204 . 12 1 1 A 17 17 GLY CA C 17 46.025 46.337 -0.312 1
1 205 . 12 1 1 A 17 17 GLY N N 17 107.457 108.607 -1.150 1
1 206 . 12 1 1 A 18 18 GLU H H 18 8.087 7.055 1.032 1
1 207 . 12 1 1 A 18 18 GLU HA H 18 4.215 4.049 0.166 1
1 212 . 12 1 1 A 18 18 GLU CB C 18 28.150 30.114 -1.964 1
1 214 . 12 1 1 A 18 18 GLU N N 18 119.806 120.991 -1.185 1
1 215 . 12 1 1 A 19 19 ALA H H 19 8.176 8.076 0.100 1
1 216 . 12 1 1 A 19 19 ALA HA H 19 4.154 3.999 0.155 1
1 220 . 12 1 1 A 19 19 ALA CA C 19 54.191 54.691 -0.500 1
1 221 . 12 1 1 A 19 19 ALA CB C 19 17.953 18.387 -0.434 1
1 222 . 12 1 1 A 19 19 ALA N N 19 122.201 121.939 0.262 1
1 223 . 12 1 1 A 20 20 GLY H H 20 8.049 8.409 -0.360 1
1 224 . 12 1 1 A 20 20 GLY HA2 H 20 3.918 3.951 -0.033 1
1 225 . 12 1 1 A 20 20 GLY HA3 H 20 3.918 3.978 -0.060 1
1 226 . 12 1 1 A 20 20 GLY CA C 20 46.090 46.893 -0.803 1
1 227 . 12 1 1 A 20 20 GLY N N 20 104.575 105.553 -0.978 1
1 228 . 12 1 1 A 21 21 ARG H H 21 7.723 7.271 0.452 1
1 229 . 12 1 1 A 21 21 ARG HA H 21 4.289 4.437 -0.148 1
1 237 . 12 1 1 A 21 21 ARG CA C 21 57.263 57.101 0.162 1
1 238 . 12 1 1 A 21 21 ARG CB C 21 30.701 32.131 -1.430 1
1 241 . 12 1 1 A 21 21 ARG N N 21 119.035 120.819 -1.784 1
1 243 . 12 1 1 A 22 22 ALA H H 22 7.954 7.243 0.711 1
1 244 . 12 1 1 A 22 22 ALA HA H 22 4.321 4.515 -0.194 1
1 248 . 12 1 1 A 22 22 ALA CA C 22 53.247 52.033 1.214 1
1 249 . 12 1 1 A 22 22 ALA CB C 22 18.221 21.583 -3.362 1
1 250 . 12 1 1 A 22 22 ALA N N 22 122.098 117.939 4.159 1
1 251 . 12 1 1 A 23 23 ILE H H 23 7.705 8.797 -1.092 1
1 252 . 12 1 1 A 23 23 ILE HA H 23 4.162 3.806 0.356 1
1 262 . 12 1 1 A 23 23 ILE CA C 23 61.798 64.861 -3.063 1
1 263 . 12 1 1 A 23 23 ILE CB C 23 38.823 38.265 0.558 1
1 267 . 12 1 1 A 23 23 ILE N N 23 117.111 124.922 -7.811 1
1 268 . 12 1 1 A 24 24 ARG H H 24 7.926 8.122 -0.196 1
1 269 . 12 1 1 A 24 24 ARG HA H 24 4.407 4.504 -0.097 1
1 277 . 12 1 1 A 24 24 ARG CA C 24 55.977 56.976 -0.999 1
1 278 . 12 1 1 A 24 24 ARG CB C 24 30.582 32.679 -2.097 1
1 281 . 12 1 1 A 24 24 ARG N N 24 122.716 118.565 4.151 1
1 4 . 13 1 1 A 2 2 ALA H H 2 8.663 8.036 0.627 1
1 5 . 13 1 1 A 2 2 ALA HA H 2 4.329 4.660 -0.331 1
1 9 . 13 1 1 A 2 2 ALA CA C 2 54.217 52.894 1.323 1
1 10 . 13 1 1 A 2 2 ALA CB C 2 18.718 21.185 -2.467 1
1 11 . 13 1 1 A 2 2 ALA N N 2 123.890 124.162 -0.272 1
1 12 . 13 1 1 A 3 3 TRP H H 3 8.289 8.469 -0.180 1
1 13 . 13 1 1 A 3 3 TRP HA H 3 4.629 4.451 0.178 1
1 22 . 13 1 1 A 3 3 TRP CB C 3 29.120 28.294 0.826 1
1 31 . 13 1 1 A 3 3 TRP N N 3 119.200 117.281 1.919 1
1 33 . 13 1 1 A 4 4 LYS H H 4 8.133 7.627 0.506 1
1 34 . 13 1 1 A 4 4 LYS HA H 4 4.160 3.999 0.161 1
1 46 . 13 1 1 A 4 4 LYS CA C 4 59.001 58.827 0.174 1
1 47 . 13 1 1 A 4 4 LYS CB C 4 32.524 31.038 1.486 1
1 51 . 13 1 1 A 5 5 ASN H H 5 8.141 7.998 0.143 1
1 52 . 13 1 1 A 5 5 ASN HA H 5 4.527 4.366 0.161 1
1 57 . 13 1 1 A 5 5 ASN CB C 5 37.852 38.261 -0.409 1
1 58 . 13 1 1 A 5 5 ASN N N 5 118.143 117.509 0.634 1
1 60 . 13 1 1 A 6 6 PHE H H 6 8.268 7.979 0.289 1
1 61 . 13 1 1 A 6 6 PHE HA H 6 4.233 4.212 0.021 1
1 69 . 13 1 1 A 6 6 PHE CA C 6 61.121 61.246 -0.125 1
1 70 . 13 1 1 A 6 6 PHE CB C 6 39.051 38.532 0.519 1
1 75 . 13 1 1 A 6 6 PHE N N 6 122.645 121.191 1.454 1
1 76 . 13 1 1 A 7 7 TRP H H 7 8.210 7.874 0.336 1
1 77 . 13 1 1 A 7 7 TRP HA H 7 4.218 4.549 -0.331 1
1 86 . 13 1 1 A 7 7 TRP CA C 7 57.537 60.840 -3.303 1
1 87 . 13 1 1 A 7 7 TRP CB C 7 29.031 28.970 0.061 1
1 94 . 13 1 1 A 7 7 TRP N N 7 119.652 119.792 -0.140 1
1 96 . 13 1 1 A 8 8 SER H H 8 8.313 8.067 0.246 1
1 97 . 13 1 1 A 8 8 SER HA H 8 4.211 4.192 0.019 1
1 100 . 13 1 1 A 8 8 SER CA C 8 60.128 62.148 -2.020 1
1 101 . 13 1 1 A 8 8 SER CB C 8 62.938 62.709 0.229 1
1 102 . 13 1 1 A 8 8 SER N N 8 113.442 117.057 -3.615 1
1 103 . 13 1 1 A 9 9 SER H H 9 7.864 7.648 0.216 1
1 104 . 13 1 1 A 9 9 SER HA H 9 4.255 4.119 0.136 1
1 107 . 13 1 1 A 9 9 SER CA C 9 61.797 62.231 -0.434 1
1 108 . 13 1 1 A 9 9 SER CB C 9 62.938 63.069 -0.131 1
1 109 . 13 1 1 A 9 9 SER N N 9 117.994 117.729 0.265 1
1 110 . 13 1 1 A 10 10 LEU H H 10 7.867 8.163 -0.296 1
1 111 . 13 1 1 A 10 10 LEU HA H 10 4.047 4.019 0.028 1
1 121 . 13 1 1 A 10 10 LEU CA C 10 57.592 58.221 -0.629 1
1 122 . 13 1 1 A 10 10 LEU CB C 10 41.896 41.782 0.114 1
1 126 . 13 1 1 A 10 10 LEU N N 10 124.116 121.099 3.017 1
1 127 . 13 1 1 A 11 11 ARG H H 11 7.975 8.442 -0.467 1
1 128 . 13 1 1 A 11 11 ARG HA H 11 4.051 4.079 -0.028 1
1 136 . 13 1 1 A 11 11 ARG CA C 11 58.881 60.166 -1.285 1
1 137 . 13 1 1 A 11 11 ARG CB C 11 29.959 30.190 -0.231 1
1 140 . 13 1 1 A 11 11 ARG N N 11 118.035 117.984 0.051 1
1 142 . 13 1 1 A 12 12 LYS H H 12 7.928 7.979 -0.051 1
1 143 . 13 1 1 A 12 12 LYS HA H 12 4.161 4.114 0.047 1
1 155 . 13 1 1 A 12 12 LYS CA C 12 59.020 59.354 -0.334 1
1 156 . 13 1 1 A 12 12 LYS CB C 12 32.512 32.398 0.114 1
1 160 . 13 1 1 A 12 12 LYS N N 12 118.806 119.685 -0.879 1
1 161 . 13 1 1 A 13 13 GLY H H 13 8.079 8.088 -0.009 1
1 162 . 13 1 1 A 13 13 GLY HA2 H 13 3.890 3.684 0.206 1
1 163 . 13 1 1 A 13 13 GLY HA3 H 13 3.890 3.710 0.180 1
1 164 . 13 1 1 A 13 13 GLY CA C 13 46.369 47.408 -1.039 1
1 165 . 13 1 1 A 13 13 GLY N N 13 106.212 107.894 -1.682 1
1 166 . 13 1 1 A 14 14 PHE H H 14 8.135 8.263 -0.128 1
1 167 . 13 1 1 A 14 14 PHE HA H 14 4.436 4.147 0.289 1
1 175 . 13 1 1 A 14 14 PHE CA C 14 60.182 60.560 -0.378 1
1 176 . 13 1 1 A 14 14 PHE CB C 14 39.096 39.128 -0.032 1
1 180 . 13 1 1 A 15 15 TYR H H 15 8.230 8.243 -0.013 1
1 181 . 13 1 1 A 15 15 TYR HA H 15 4.364 4.310 0.054 1
1 188 . 13 1 1 A 15 15 TYR CA C 15 60.249 60.167 0.082 1
1 189 . 13 1 1 A 15 15 TYR CB C 15 38.313 38.455 -0.142 1
1 194 . 13 1 1 A 15 15 TYR N N 15 119.420 119.811 -0.391 1
1 195 . 13 1 1 A 16 16 ASP H H 16 8.516 7.587 0.929 1
1 196 . 13 1 1 A 16 16 ASP HA H 16 4.652 5.094 -0.442 1
1 199 . 13 1 1 A 16 16 ASP CB C 16 37.561 41.247 -3.686 1
1 200 . 13 1 1 A 16 16 ASP N N 16 118.037 118.586 -0.549 1
1 201 . 13 1 1 A 17 17 GLY H H 17 7.858 7.455 0.403 1
1 202 . 13 1 1 A 17 17 GLY HA2 H 17 3.971 3.886 0.085 1
1 203 . 13 1 1 A 17 17 GLY HA3 H 17 3.971 4.016 -0.045 1
1 204 . 13 1 1 A 17 17 GLY CA C 17 46.025 45.769 0.256 1
1 205 . 13 1 1 A 17 17 GLY N N 17 107.457 108.163 -0.706 1
1 206 . 13 1 1 A 18 18 GLU H H 18 8.087 7.227 0.860 1
1 207 . 13 1 1 A 18 18 GLU HA H 18 4.215 4.046 0.169 1
1 212 . 13 1 1 A 18 18 GLU CB C 18 28.150 29.941 -1.791 1
1 214 . 13 1 1 A 18 18 GLU N N 18 119.806 121.708 -1.902 1
1 215 . 13 1 1 A 19 19 ALA H H 19 8.176 8.075 0.101 1
1 216 . 13 1 1 A 19 19 ALA HA H 19 4.154 4.216 -0.062 1
1 220 . 13 1 1 A 19 19 ALA CA C 19 54.191 54.696 -0.505 1
1 221 . 13 1 1 A 19 19 ALA CB C 19 17.953 18.299 -0.346 1
1 222 . 13 1 1 A 19 19 ALA N N 19 122.201 122.154 0.047 1
1 223 . 13 1 1 A 20 20 GLY H H 20 8.049 8.432 -0.383 1
1 224 . 13 1 1 A 20 20 GLY HA2 H 20 3.918 3.844 0.074 1
1 225 . 13 1 1 A 20 20 GLY HA3 H 20 3.918 3.868 0.050 1
1 226 . 13 1 1 A 20 20 GLY CA C 20 46.090 46.947 -0.857 1
1 227 . 13 1 1 A 20 20 GLY N N 20 104.575 105.468 -0.893 1
1 228 . 13 1 1 A 21 21 ARG H H 21 7.723 7.307 0.416 1
1 229 . 13 1 1 A 21 21 ARG HA H 21 4.289 4.203 0.086 1
1 237 . 13 1 1 A 21 21 ARG CA C 21 57.263 57.779 -0.516 1
1 238 . 13 1 1 A 21 21 ARG CB C 21 30.701 31.362 -0.661 1
1 241 . 13 1 1 A 21 21 ARG N N 21 119.035 120.982 -1.947 1
1 243 . 13 1 1 A 22 22 ALA H H 22 7.954 7.363 0.591 1
1 244 . 13 1 1 A 22 22 ALA HA H 22 4.321 4.560 -0.239 1
1 248 . 13 1 1 A 22 22 ALA CA C 22 53.247 51.437 1.810 1
1 249 . 13 1 1 A 22 22 ALA CB C 22 18.221 20.159 -1.938 1
1 250 . 13 1 1 A 22 22 ALA N N 22 122.098 118.254 3.844 1
1 251 . 13 1 1 A 23 23 ILE H H 23 7.705 8.746 -1.041 1
1 252 . 13 1 1 A 23 23 ILE HA H 23 4.162 4.109 0.053 1
1 262 . 13 1 1 A 23 23 ILE CA C 23 61.798 63.155 -1.357 1
1 263 . 13 1 1 A 23 23 ILE CB C 23 38.823 38.369 0.454 1
1 267 . 13 1 1 A 23 23 ILE N N 23 117.111 124.476 -7.365 1
1 268 . 13 1 1 A 24 24 ARG H H 24 7.926 7.815 0.111 1
1 269 . 13 1 1 A 24 24 ARG HA H 24 4.407 4.560 -0.153 1
1 277 . 13 1 1 A 24 24 ARG CA C 24 55.977 55.360 0.617 1
1 278 . 13 1 1 A 24 24 ARG CB C 24 30.582 30.954 -0.372 1
1 281 . 13 1 1 A 24 24 ARG N N 24 122.716 116.879 5.837 1
1 4 . 14 1 1 A 2 2 ALA H H 2 8.663 8.429 0.234 1
1 5 . 14 1 1 A 2 2 ALA HA H 2 4.329 4.410 -0.081 1
1 9 . 14 1 1 A 2 2 ALA CA C 2 54.217 52.758 1.459 1
1 10 . 14 1 1 A 2 2 ALA CB C 2 18.718 21.409 -2.691 1
1 11 . 14 1 1 A 2 2 ALA N N 2 123.890 126.278 -2.388 1
1 12 . 14 1 1 A 3 3 TRP H H 3 8.289 8.503 -0.214 1
1 13 . 14 1 1 A 3 3 TRP HA H 3 4.629 4.432 0.197 1
1 22 . 14 1 1 A 3 3 TRP CB C 3 29.120 28.630 0.490 1
1 31 . 14 1 1 A 3 3 TRP N N 3 119.200 117.502 1.698 1
1 33 . 14 1 1 A 4 4 LYS H H 4 8.133 7.561 0.572 1
1 34 . 14 1 1 A 4 4 LYS HA H 4 4.160 3.917 0.243 1
1 46 . 14 1 1 A 4 4 LYS CA C 4 59.001 58.763 0.238 1
1 47 . 14 1 1 A 4 4 LYS CB C 4 32.524 31.022 1.502 1
1 51 . 14 1 1 A 5 5 ASN H H 5 8.141 8.015 0.126 1
1 52 . 14 1 1 A 5 5 ASN HA H 5 4.527 4.295 0.232 1
1 57 . 14 1 1 A 5 5 ASN CB C 5 37.852 38.311 -0.459 1
1 58 . 14 1 1 A 5 5 ASN N N 5 118.143 117.837 0.306 1
1 60 . 14 1 1 A 6 6 PHE H H 6 8.268 7.940 0.328 1
1 61 . 14 1 1 A 6 6 PHE HA H 6 4.233 4.187 0.046 1
1 69 . 14 1 1 A 6 6 PHE CA C 6 61.121 61.280 -0.159 1
1 70 . 14 1 1 A 6 6 PHE CB C 6 39.051 38.690 0.361 1
1 75 . 14 1 1 A 6 6 PHE N N 6 122.645 120.590 2.055 1
1 76 . 14 1 1 A 7 7 TRP H H 7 8.210 7.853 0.357 1
1 77 . 14 1 1 A 7 7 TRP HA H 7 4.218 4.527 -0.309 1
1 86 . 14 1 1 A 7 7 TRP CA C 7 57.537 60.649 -3.112 1
1 87 . 14 1 1 A 7 7 TRP CB C 7 29.031 29.008 0.023 1
1 94 . 14 1 1 A 7 7 TRP N N 7 119.652 119.567 0.085 1
1 96 . 14 1 1 A 8 8 SER H H 8 8.313 8.373 -0.060 1
1 97 . 14 1 1 A 8 8 SER HA H 8 4.211 4.147 0.064 1
1 100 . 14 1 1 A 8 8 SER CA C 8 60.128 61.685 -1.557 1
1 101 . 14 1 1 A 8 8 SER CB C 8 62.938 62.980 -0.042 1
1 102 . 14 1 1 A 8 8 SER N N 8 113.442 115.630 -2.188 1
1 103 . 14 1 1 A 9 9 SER H H 9 7.864 7.736 0.128 1
1 104 . 14 1 1 A 9 9 SER HA H 9 4.255 4.107 0.148 1
1 107 . 14 1 1 A 9 9 SER CA C 9 61.797 62.441 -0.644 1
1 108 . 14 1 1 A 9 9 SER CB C 9 62.938 63.069 -0.131 1
1 109 . 14 1 1 A 9 9 SER N N 9 117.994 116.990 1.004 1
1 110 . 14 1 1 A 10 10 LEU H H 10 7.867 8.208 -0.341 1
1 111 . 14 1 1 A 10 10 LEU HA H 10 4.047 4.009 0.038 1
1 121 . 14 1 1 A 10 10 LEU CA C 10 57.592 58.264 -0.672 1
1 122 . 14 1 1 A 10 10 LEU CB C 10 41.896 41.833 0.063 1
1 126 . 14 1 1 A 10 10 LEU N N 10 124.116 121.047 3.069 1
1 127 . 14 1 1 A 11 11 ARG H H 11 7.975 8.588 -0.613 1
1 128 . 14 1 1 A 11 11 ARG HA H 11 4.051 4.066 -0.015 1
1 136 . 14 1 1 A 11 11 ARG CA C 11 58.881 60.297 -1.416 1
1 137 . 14 1 1 A 11 11 ARG CB C 11 29.959 30.169 -0.210 1
1 140 . 14 1 1 A 11 11 ARG N N 11 118.035 117.357 0.678 1
1 142 . 14 1 1 A 12 12 LYS H H 12 7.928 7.830 0.098 1
1 143 . 14 1 1 A 12 12 LYS HA H 12 4.161 4.106 0.055 1
1 155 . 14 1 1 A 12 12 LYS CA C 12 59.020 59.296 -0.276 1
1 156 . 14 1 1 A 12 12 LYS CB C 12 32.512 32.280 0.232 1
1 160 . 14 1 1 A 12 12 LYS N N 12 118.806 119.541 -0.735 1
1 161 . 14 1 1 A 13 13 GLY H H 13 8.079 8.147 -0.068 1
1 162 . 14 1 1 A 13 13 GLY HA2 H 13 3.890 3.719 0.171 1
1 163 . 14 1 1 A 13 13 GLY HA3 H 13 3.890 3.742 0.148 1
1 164 . 14 1 1 A 13 13 GLY CA C 13 46.369 47.418 -1.049 1
1 165 . 14 1 1 A 13 13 GLY N N 13 106.212 107.763 -1.551 1
1 166 . 14 1 1 A 14 14 PHE H H 14 8.135 8.261 -0.126 1
1 167 . 14 1 1 A 14 14 PHE HA H 14 4.436 4.147 0.289 1
1 175 . 14 1 1 A 14 14 PHE CA C 14 60.182 60.593 -0.411 1
1 176 . 14 1 1 A 14 14 PHE CB C 14 39.096 39.146 -0.050 1
1 180 . 14 1 1 A 15 15 TYR H H 15 8.230 8.209 0.021 1
1 181 . 14 1 1 A 15 15 TYR HA H 15 4.364 4.289 0.075 1
1 188 . 14 1 1 A 15 15 TYR CA C 15 60.249 60.081 0.168 1
1 189 . 14 1 1 A 15 15 TYR CB C 15 38.313 38.291 0.022 1
1 194 . 14 1 1 A 15 15 TYR N N 15 119.420 119.960 -0.540 1
1 195 . 14 1 1 A 16 16 ASP H H 16 8.516 7.712 0.804 1
1 196 . 14 1 1 A 16 16 ASP HA H 16 4.652 4.996 -0.344 1
1 199 . 14 1 1 A 16 16 ASP CB C 16 37.561 41.506 -3.945 1
1 200 . 14 1 1 A 16 16 ASP N N 16 118.037 119.124 -1.087 1
1 201 . 14 1 1 A 17 17 GLY H H 17 7.858 7.907 -0.049 1
1 202 . 14 1 1 A 17 17 GLY HA2 H 17 3.971 3.818 0.153 1
1 203 . 14 1 1 A 17 17 GLY HA3 H 17 3.971 4.004 -0.033 1
1 204 . 14 1 1 A 17 17 GLY CA C 17 46.025 45.984 0.041 1
1 205 . 14 1 1 A 17 17 GLY N N 17 107.457 108.349 -0.892 1
1 206 . 14 1 1 A 18 18 GLU H H 18 8.087 7.355 0.732 1
1 207 . 14 1 1 A 18 18 GLU HA H 18 4.215 4.103 0.112 1
1 212 . 14 1 1 A 18 18 GLU CB C 18 28.150 30.066 -1.916 1
1 214 . 14 1 1 A 18 18 GLU N N 18 119.806 121.125 -1.319 1
1 215 . 14 1 1 A 19 19 ALA H H 19 8.176 7.972 0.204 1
1 216 . 14 1 1 A 19 19 ALA HA H 19 4.154 4.135 0.019 1
1 220 . 14 1 1 A 19 19 ALA CA C 19 54.191 54.426 -0.235 1
1 221 . 14 1 1 A 19 19 ALA CB C 19 17.953 18.510 -0.557 1
1 222 . 14 1 1 A 19 19 ALA N N 19 122.201 121.556 0.645 1
1 223 . 14 1 1 A 20 20 GLY H H 20 8.049 8.330 -0.281 1
1 224 . 14 1 1 A 20 20 GLY HA2 H 20 3.918 3.789 0.129 1
1 225 . 14 1 1 A 20 20 GLY HA3 H 20 3.918 3.815 0.103 1
1 226 . 14 1 1 A 20 20 GLY CA C 20 46.090 47.267 -1.177 1
1 227 . 14 1 1 A 20 20 GLY N N 20 104.575 106.290 -1.715 1
1 228 . 14 1 1 A 21 21 ARG H H 21 7.723 8.451 -0.728 1
1 229 . 14 1 1 A 21 21 ARG HA H 21 4.289 4.146 0.143 1
1 237 . 14 1 1 A 21 21 ARG CA C 21 57.263 58.219 -0.956 1
1 238 . 14 1 1 A 21 21 ARG CB C 21 30.701 29.783 0.918 1
1 241 . 14 1 1 A 21 21 ARG N N 21 119.035 119.214 -0.179 1
1 243 . 14 1 1 A 22 22 ALA H H 22 7.954 7.275 0.679 1
1 244 . 14 1 1 A 22 22 ALA HA H 22 4.321 4.450 -0.129 1
1 248 . 14 1 1 A 22 22 ALA CA C 22 53.247 52.155 1.092 1
1 249 . 14 1 1 A 22 22 ALA CB C 22 18.221 20.515 -2.294 1
1 250 . 14 1 1 A 22 22 ALA N N 22 122.098 120.099 1.999 1
1 251 . 14 1 1 A 23 23 ILE H H 23 7.705 8.735 -1.030 1
1 252 . 14 1 1 A 23 23 ILE HA H 23 4.162 4.084 0.078 1
1 262 . 14 1 1 A 23 23 ILE CA C 23 61.798 63.202 -1.404 1
1 263 . 14 1 1 A 23 23 ILE CB C 23 38.823 38.587 0.236 1
1 267 . 14 1 1 A 23 23 ILE N N 23 117.111 124.833 -7.722 1
1 268 . 14 1 1 A 24 24 ARG H H 24 7.926 8.248 -0.322 1
1 269 . 14 1 1 A 24 24 ARG HA H 24 4.407 4.496 -0.089 1
1 277 . 14 1 1 A 24 24 ARG CA C 24 55.977 56.990 -1.013 1
1 278 . 14 1 1 A 24 24 ARG CB C 24 30.582 33.339 -2.757 1
1 281 . 14 1 1 A 24 24 ARG N N 24 122.716 118.162 4.554 1
1 4 . 15 1 1 A 2 2 ALA H H 2 8.663 8.271 0.392 1
1 5 . 15 1 1 A 2 2 ALA HA H 2 4.329 4.439 -0.110 1
1 9 . 15 1 1 A 2 2 ALA CA C 2 54.217 52.739 1.478 1
1 10 . 15 1 1 A 2 2 ALA CB C 2 18.718 21.334 -2.616 1
1 11 . 15 1 1 A 2 2 ALA N N 2 123.890 124.459 -0.569 1
1 12 . 15 1 1 A 3 3 TRP H H 3 8.289 8.360 -0.071 1
1 13 . 15 1 1 A 3 3 TRP HA H 3 4.629 4.494 0.135 1
1 22 . 15 1 1 A 3 3 TRP CB C 3 29.120 28.584 0.536 1
1 31 . 15 1 1 A 3 3 TRP N N 3 119.200 117.847 1.353 1
1 33 . 15 1 1 A 4 4 LYS H H 4 8.133 7.668 0.465 1
1 34 . 15 1 1 A 4 4 LYS HA H 4 4.160 4.024 0.136 1
1 46 . 15 1 1 A 4 4 LYS CA C 4 59.001 58.935 0.066 1
1 47 . 15 1 1 A 4 4 LYS CB C 4 32.524 31.064 1.460 1
1 51 . 15 1 1 A 5 5 ASN H H 5 8.141 8.121 0.020 1
1 52 . 15 1 1 A 5 5 ASN HA H 5 4.527 4.332 0.195 1
1 57 . 15 1 1 A 5 5 ASN CB C 5 37.852 39.606 -1.754 1
1 58 . 15 1 1 A 5 5 ASN N N 5 118.143 117.389 0.754 1
1 60 . 15 1 1 A 6 6 PHE H H 6 8.268 7.940 0.328 1
1 61 . 15 1 1 A 6 6 PHE HA H 6 4.233 4.178 0.055 1
1 69 . 15 1 1 A 6 6 PHE CA C 6 61.121 61.301 -0.180 1
1 70 . 15 1 1 A 6 6 PHE CB C 6 39.051 38.739 0.312 1
1 75 . 15 1 1 A 6 6 PHE N N 6 122.645 119.588 3.057 1
1 76 . 15 1 1 A 7 7 TRP H H 7 8.210 7.817 0.393 1
1 77 . 15 1 1 A 7 7 TRP HA H 7 4.218 4.493 -0.275 1
1 86 . 15 1 1 A 7 7 TRP CA C 7 57.537 60.643 -3.106 1
1 87 . 15 1 1 A 7 7 TRP CB C 7 29.031 28.981 0.050 1
1 94 . 15 1 1 A 7 7 TRP N N 7 119.652 119.543 0.109 1
1 96 . 15 1 1 A 8 8 SER H H 8 8.313 8.525 -0.212 1
1 97 . 15 1 1 A 8 8 SER HA H 8 4.211 4.077 0.134 1
1 100 . 15 1 1 A 8 8 SER CA C 8 60.128 61.825 -1.697 1
1 101 . 15 1 1 A 8 8 SER CB C 8 62.938 62.961 -0.023 1
1 102 . 15 1 1 A 8 8 SER N N 8 113.442 115.188 -1.746 1
1 103 . 15 1 1 A 9 9 SER H H 9 7.864 7.782 0.082 1
1 104 . 15 1 1 A 9 9 SER HA H 9 4.255 4.148 0.107 1
1 107 . 15 1 1 A 9 9 SER CA C 9 61.797 62.410 -0.613 1
1 108 . 15 1 1 A 9 9 SER CB C 9 62.938 63.049 -0.111 1
1 109 . 15 1 1 A 9 9 SER N N 9 117.994 116.927 1.067 1
1 110 . 15 1 1 A 10 10 LEU H H 10 7.867 8.339 -0.472 1
1 111 . 15 1 1 A 10 10 LEU HA H 10 4.047 4.057 -0.010 1
1 121 . 15 1 1 A 10 10 LEU CA C 10 57.592 58.284 -0.692 1
1 122 . 15 1 1 A 10 10 LEU CB C 10 41.896 41.772 0.124 1
1 126 . 15 1 1 A 10 10 LEU N N 10 124.116 121.026 3.090 1
1 127 . 15 1 1 A 11 11 ARG H H 11 7.975 8.590 -0.615 1
1 128 . 15 1 1 A 11 11 ARG HA H 11 4.051 4.041 0.010 1
1 136 . 15 1 1 A 11 11 ARG CA C 11 58.881 60.370 -1.489 1
1 137 . 15 1 1 A 11 11 ARG CB C 11 29.959 30.212 -0.253 1
1 140 . 15 1 1 A 11 11 ARG N N 11 118.035 119.968 -1.933 1
1 142 . 15 1 1 A 12 12 LYS H H 12 7.928 7.656 0.272 1
1 143 . 15 1 1 A 12 12 LYS HA H 12 4.161 4.103 0.058 1
1 155 . 15 1 1 A 12 12 LYS CA C 12 59.020 59.350 -0.330 1
1 156 . 15 1 1 A 12 12 LYS CB C 12 32.512 32.278 0.234 1
1 160 . 15 1 1 A 12 12 LYS N N 12 118.806 118.099 0.707 1
1 161 . 15 1 1 A 13 13 GLY H H 13 8.079 8.016 0.063 1
1 162 . 15 1 1 A 13 13 GLY HA2 H 13 3.890 3.652 0.238 1
1 163 . 15 1 1 A 13 13 GLY HA3 H 13 3.890 3.682 0.208 1
1 164 . 15 1 1 A 13 13 GLY CA C 13 46.369 47.429 -1.060 1
1 165 . 15 1 1 A 13 13 GLY N N 13 106.212 107.715 -1.503 1
1 166 . 15 1 1 A 14 14 PHE H H 14 8.135 8.395 -0.260 1
1 167 . 15 1 1 A 14 14 PHE HA H 14 4.436 4.157 0.279 1
1 175 . 15 1 1 A 14 14 PHE CA C 14 60.182 60.754 -0.572 1
1 176 . 15 1 1 A 14 14 PHE CB C 14 39.096 39.304 -0.208 1
1 180 . 15 1 1 A 15 15 TYR H H 15 8.230 8.172 0.058 1
1 181 . 15 1 1 A 15 15 TYR HA H 15 4.364 4.234 0.130 1
1 188 . 15 1 1 A 15 15 TYR CA C 15 60.249 60.059 0.190 1
1 189 . 15 1 1 A 15 15 TYR CB C 15 38.313 38.369 -0.056 1
1 194 . 15 1 1 A 15 15 TYR N N 15 119.420 119.517 -0.097 1
1 195 . 15 1 1 A 16 16 ASP H H 16 8.516 7.626 0.890 1
1 196 . 15 1 1 A 16 16 ASP HA H 16 4.652 4.968 -0.316 1
1 199 . 15 1 1 A 16 16 ASP CB C 16 37.561 41.395 -3.834 1
1 200 . 15 1 1 A 16 16 ASP N N 16 118.037 119.138 -1.101 1
1 201 . 15 1 1 A 17 17 GLY H H 17 7.858 7.504 0.354 1
1 202 . 15 1 1 A 17 17 GLY HA2 H 17 3.971 3.932 0.039 1
1 203 . 15 1 1 A 17 17 GLY HA3 H 17 3.971 4.070 -0.099 1
1 204 . 15 1 1 A 17 17 GLY CA C 17 46.025 45.856 0.169 1
1 205 . 15 1 1 A 17 17 GLY N N 17 107.457 108.169 -0.712 1
1 206 . 15 1 1 A 18 18 GLU H H 18 8.087 7.018 1.069 1
1 207 . 15 1 1 A 18 18 GLU HA H 18 4.215 4.042 0.173 1
1 212 . 15 1 1 A 18 18 GLU CB C 18 28.150 29.973 -1.823 1
1 214 . 15 1 1 A 18 18 GLU N N 18 119.806 121.040 -1.234 1
1 215 . 15 1 1 A 19 19 ALA H H 19 8.176 8.140 0.036 1
1 216 . 15 1 1 A 19 19 ALA HA H 19 4.154 4.179 -0.025 1
1 220 . 15 1 1 A 19 19 ALA CA C 19 54.191 54.734 -0.543 1
1 221 . 15 1 1 A 19 19 ALA CB C 19 17.953 18.275 -0.322 1
1 222 . 15 1 1 A 19 19 ALA N N 19 122.201 122.469 -0.268 1
1 223 . 15 1 1 A 20 20 GLY H H 20 8.049 8.321 -0.272 1
1 224 . 15 1 1 A 20 20 GLY HA2 H 20 3.918 3.905 0.013 1
1 225 . 15 1 1 A 20 20 GLY HA3 H 20 3.918 3.932 -0.014 1
1 226 . 15 1 1 A 20 20 GLY CA C 20 46.090 46.905 -0.815 1
1 227 . 15 1 1 A 20 20 GLY N N 20 104.575 105.830 -1.255 1
1 228 . 15 1 1 A 21 21 ARG H H 21 7.723 7.404 0.319 1
1 229 . 15 1 1 A 21 21 ARG HA H 21 4.289 4.154 0.135 1
1 237 . 15 1 1 A 21 21 ARG CA C 21 57.263 57.909 -0.646 1
1 238 . 15 1 1 A 21 21 ARG CB C 21 30.701 31.434 -0.733 1
1 241 . 15 1 1 A 21 21 ARG N N 21 119.035 121.028 -1.993 1
1 243 . 15 1 1 A 22 22 ALA H H 22 7.954 7.333 0.621 1
1 244 . 15 1 1 A 22 22 ALA HA H 22 4.321 4.554 -0.233 1
1 248 . 15 1 1 A 22 22 ALA CA C 22 53.247 51.902 1.345 1
1 249 . 15 1 1 A 22 22 ALA CB C 22 18.221 20.739 -2.518 1
1 250 . 15 1 1 A 22 22 ALA N N 22 122.098 118.331 3.767 1
1 251 . 15 1 1 A 23 23 ILE H H 23 7.705 8.714 -1.009 1
1 252 . 15 1 1 A 23 23 ILE HA H 23 4.162 4.106 0.056 1
1 262 . 15 1 1 A 23 23 ILE CA C 23 61.798 63.096 -1.298 1
1 263 . 15 1 1 A 23 23 ILE CB C 23 38.823 38.160 0.663 1
1 267 . 15 1 1 A 23 23 ILE N N 23 117.111 124.705 -7.594 1
1 268 . 15 1 1 A 24 24 ARG H H 24 7.926 7.796 0.130 1
1 269 . 15 1 1 A 24 24 ARG HA H 24 4.407 4.514 -0.107 1
1 277 . 15 1 1 A 24 24 ARG CA C 24 55.977 54.520 1.457 1
1 278 . 15 1 1 A 24 24 ARG CB C 24 30.582 29.692 0.890 1
1 281 . 15 1 1 A 24 24 ARG N N 24 122.716 117.059 5.657 1
1 4 . 16 1 1 A 2 2 ALA H H 2 8.663 8.389 0.274 1
1 5 . 16 1 1 A 2 2 ALA HA H 2 4.329 4.366 -0.037 1
1 9 . 16 1 1 A 2 2 ALA CA C 2 54.217 52.716 1.501 1
1 10 . 16 1 1 A 2 2 ALA CB C 2 18.718 21.199 -2.481 1
1 11 . 16 1 1 A 2 2 ALA N N 2 123.890 126.464 -2.574 1
1 12 . 16 1 1 A 3 3 TRP H H 3 8.289 8.465 -0.176 1
1 13 . 16 1 1 A 3 3 TRP HA H 3 4.629 4.358 0.271 1
1 22 . 16 1 1 A 3 3 TRP CB C 3 29.120 28.077 1.043 1
1 31 . 16 1 1 A 3 3 TRP N N 3 119.200 117.563 1.637 1
1 33 . 16 1 1 A 4 4 LYS H H 4 8.133 7.593 0.540 1
1 34 . 16 1 1 A 4 4 LYS HA H 4 4.160 4.060 0.100 1
1 46 . 16 1 1 A 4 4 LYS CA C 4 59.001 58.914 0.087 1
1 47 . 16 1 1 A 4 4 LYS CB C 4 32.524 31.039 1.485 1
1 51 . 16 1 1 A 5 5 ASN H H 5 8.141 7.859 0.282 1
1 52 . 16 1 1 A 5 5 ASN HA H 5 4.527 4.327 0.200 1
1 57 . 16 1 1 A 5 5 ASN CB C 5 37.852 39.526 -1.674 1
1 58 . 16 1 1 A 5 5 ASN N N 5 118.143 117.520 0.623 1
1 60 . 16 1 1 A 6 6 PHE H H 6 8.268 8.044 0.224 1
1 61 . 16 1 1 A 6 6 PHE HA H 6 4.233 4.169 0.064 1
1 69 . 16 1 1 A 6 6 PHE CA C 6 61.121 61.368 -0.247 1
1 70 . 16 1 1 A 6 6 PHE CB C 6 39.051 38.696 0.355 1
1 75 . 16 1 1 A 6 6 PHE N N 6 122.645 120.002 2.643 1
1 76 . 16 1 1 A 7 7 TRP H H 7 8.210 7.983 0.227 1
1 77 . 16 1 1 A 7 7 TRP HA H 7 4.218 4.529 -0.311 1
1 86 . 16 1 1 A 7 7 TRP CA C 7 57.537 60.610 -3.073 1
1 87 . 16 1 1 A 7 7 TRP CB C 7 29.031 29.052 -0.021 1
1 94 . 16 1 1 A 7 7 TRP N N 7 119.652 119.504 0.148 1
1 96 . 16 1 1 A 8 8 SER H H 8 8.313 8.261 0.052 1
1 97 . 16 1 1 A 8 8 SER HA H 8 4.211 4.117 0.094 1
1 100 . 16 1 1 A 8 8 SER CA C 8 60.128 62.008 -1.880 1
1 101 . 16 1 1 A 8 8 SER CB C 8 62.938 62.897 0.041 1
1 102 . 16 1 1 A 8 8 SER N N 8 113.442 115.593 -2.151 1
1 103 . 16 1 1 A 9 9 SER H H 9 7.864 7.731 0.133 1
1 104 . 16 1 1 A 9 9 SER HA H 9 4.255 4.115 0.140 1
1 107 . 16 1 1 A 9 9 SER CA C 9 61.797 61.947 -0.150 1
1 108 . 16 1 1 A 9 9 SER CB C 9 62.938 63.181 -0.243 1
1 109 . 16 1 1 A 9 9 SER N N 9 117.994 116.041 1.953 1
1 110 . 16 1 1 A 10 10 LEU H H 10 7.867 8.168 -0.301 1
1 111 . 16 1 1 A 10 10 LEU HA H 10 4.047 4.036 0.011 1
1 121 . 16 1 1 A 10 10 LEU CA C 10 57.592 58.304 -0.712 1
1 122 . 16 1 1 A 10 10 LEU CB C 10 41.896 41.814 0.082 1
1 126 . 16 1 1 A 10 10 LEU N N 10 124.116 121.671 2.445 1
1 127 . 16 1 1 A 11 11 ARG H H 11 7.975 8.576 -0.601 1
1 128 . 16 1 1 A 11 11 ARG HA H 11 4.051 4.106 -0.055 1
1 136 . 16 1 1 A 11 11 ARG CA C 11 58.881 60.101 -1.220 1
1 137 . 16 1 1 A 11 11 ARG CB C 11 29.959 30.199 -0.240 1
1 140 . 16 1 1 A 11 11 ARG N N 11 118.035 117.807 0.228 1
1 142 . 16 1 1 A 12 12 LYS H H 12 7.928 8.116 -0.188 1
1 143 . 16 1 1 A 12 12 LYS HA H 12 4.161 4.117 0.044 1
1 155 . 16 1 1 A 12 12 LYS CA C 12 59.020 59.348 -0.328 1
1 156 . 16 1 1 A 12 12 LYS CB C 12 32.512 32.335 0.177 1
1 160 . 16 1 1 A 12 12 LYS N N 12 118.806 118.431 0.375 1
1 161 . 16 1 1 A 13 13 GLY H H 13 8.079 7.991 0.088 1
1 162 . 16 1 1 A 13 13 GLY HA2 H 13 3.890 3.640 0.250 1
1 163 . 16 1 1 A 13 13 GLY HA3 H 13 3.890 3.663 0.227 1
1 164 . 16 1 1 A 13 13 GLY CA C 13 46.369 47.498 -1.129 1
1 165 . 16 1 1 A 13 13 GLY N N 13 106.212 107.723 -1.511 1
1 166 . 16 1 1 A 14 14 PHE H H 14 8.135 8.188 -0.053 1
1 167 . 16 1 1 A 14 14 PHE HA H 14 4.436 4.087 0.349 1
1 175 . 16 1 1 A 14 14 PHE CA C 14 60.182 60.504 -0.322 1
1 176 . 16 1 1 A 14 14 PHE CB C 14 39.096 39.252 -0.156 1
1 180 . 16 1 1 A 15 15 TYR H H 15 8.230 8.199 0.031 1
1 181 . 16 1 1 A 15 15 TYR HA H 15 4.364 4.255 0.109 1
1 188 . 16 1 1 A 15 15 TYR CA C 15 60.249 60.406 -0.157 1
1 189 . 16 1 1 A 15 15 TYR CB C 15 38.313 38.514 -0.201 1
1 194 . 16 1 1 A 15 15 TYR N N 15 119.420 119.744 -0.324 1
1 195 . 16 1 1 A 16 16 ASP H H 16 8.516 7.770 0.746 1
1 196 . 16 1 1 A 16 16 ASP HA H 16 4.652 5.039 -0.387 1
1 199 . 16 1 1 A 16 16 ASP CB C 16 37.561 41.348 -3.787 1
1 200 . 16 1 1 A 16 16 ASP N N 16 118.037 119.511 -1.474 1
1 201 . 16 1 1 A 17 17 GLY H H 17 7.858 8.146 -0.288 1
1 202 . 16 1 1 A 17 17 GLY HA2 H 17 3.971 3.586 0.385 1
1 203 . 16 1 1 A 17 17 GLY HA3 H 17 3.971 3.762 0.209 1
1 204 . 16 1 1 A 17 17 GLY CA C 17 46.025 46.382 -0.357 1
1 205 . 16 1 1 A 17 17 GLY N N 17 107.457 108.649 -1.192 1
1 206 . 16 1 1 A 18 18 GLU H H 18 8.087 7.423 0.664 1
1 207 . 16 1 1 A 18 18 GLU HA H 18 4.215 4.031 0.184 1
1 212 . 16 1 1 A 18 18 GLU CB C 18 28.150 30.294 -2.144 1
1 214 . 16 1 1 A 18 18 GLU N N 18 119.806 121.862 -2.056 1
1 215 . 16 1 1 A 19 19 ALA H H 19 8.176 8.340 -0.164 1
1 216 . 16 1 1 A 19 19 ALA HA H 19 4.154 4.060 0.094 1
1 220 . 16 1 1 A 19 19 ALA CA C 19 54.191 54.804 -0.613 1
1 221 . 16 1 1 A 19 19 ALA CB C 19 17.953 18.570 -0.617 1
1 222 . 16 1 1 A 19 19 ALA N N 19 122.201 122.932 -0.731 1
1 223 . 16 1 1 A 20 20 GLY H H 20 8.049 8.499 -0.450 1
1 224 . 16 1 1 A 20 20 GLY HA2 H 20 3.918 3.981 -0.063 1
1 225 . 16 1 1 A 20 20 GLY HA3 H 20 3.918 4.001 -0.083 1
1 226 . 16 1 1 A 20 20 GLY CA C 20 46.090 46.837 -0.747 1
1 227 . 16 1 1 A 20 20 GLY N N 20 104.575 105.521 -0.946 1
1 228 . 16 1 1 A 21 21 ARG H H 21 7.723 7.699 0.024 1
1 229 . 16 1 1 A 21 21 ARG HA H 21 4.289 4.485 -0.196 1
1 237 . 16 1 1 A 21 21 ARG CA C 21 57.263 56.991 0.272 1
1 238 . 16 1 1 A 21 21 ARG CB C 21 30.701 32.276 -1.575 1
1 241 . 16 1 1 A 21 21 ARG N N 21 119.035 120.826 -1.791 1
1 243 . 16 1 1 A 22 22 ALA H H 22 7.954 7.281 0.673 1
1 244 . 16 1 1 A 22 22 ALA HA H 22 4.321 4.480 -0.159 1
1 248 . 16 1 1 A 22 22 ALA CA C 22 53.247 52.203 1.044 1
1 249 . 16 1 1 A 22 22 ALA CB C 22 18.221 20.885 -2.664 1
1 250 . 16 1 1 A 22 22 ALA N N 22 122.098 118.513 3.585 1
1 251 . 16 1 1 A 23 23 ILE H H 23 7.705 8.720 -1.015 1
1 252 . 16 1 1 A 23 23 ILE HA H 23 4.162 3.954 0.208 1
1 262 . 16 1 1 A 23 23 ILE CA C 23 61.798 64.760 -2.962 1
1 263 . 16 1 1 A 23 23 ILE CB C 23 38.823 38.287 0.536 1
1 267 . 16 1 1 A 23 23 ILE N N 23 117.111 123.963 -6.852 1
1 268 . 16 1 1 A 24 24 ARG H H 24 7.926 7.644 0.282 1
1 269 . 16 1 1 A 24 24 ARG HA H 24 4.407 4.513 -0.106 1
1 277 . 16 1 1 A 24 24 ARG CA C 24 55.977 54.587 1.390 1
1 278 . 16 1 1 A 24 24 ARG CB C 24 30.582 29.823 0.759 1
1 281 . 16 1 1 A 24 24 ARG N N 24 122.716 117.121 5.595 1
1 4 . 17 1 1 A 2 2 ALA H H 2 8.663 8.244 0.419 1
1 5 . 17 1 1 A 2 2 ALA HA H 2 4.329 4.379 -0.050 1
1 9 . 17 1 1 A 2 2 ALA CA C 2 54.217 52.741 1.476 1
1 10 . 17 1 1 A 2 2 ALA CB C 2 18.718 21.212 -2.494 1
1 11 . 17 1 1 A 2 2 ALA N N 2 123.890 126.599 -2.709 1
1 12 . 17 1 1 A 3 3 TRP H H 3 8.289 8.524 -0.235 1
1 13 . 17 1 1 A 3 3 TRP HA H 3 4.629 4.379 0.250 1
1 22 . 17 1 1 A 3 3 TRP CB C 3 29.120 28.173 0.947 1
1 31 . 17 1 1 A 3 3 TRP N N 3 119.200 117.448 1.752 1
1 33 . 17 1 1 A 4 4 LYS H H 4 8.133 7.681 0.452 1
1 34 . 17 1 1 A 4 4 LYS HA H 4 4.160 3.908 0.252 1
1 46 . 17 1 1 A 4 4 LYS CA C 4 59.001 58.786 0.215 1
1 47 . 17 1 1 A 4 4 LYS CB C 4 32.524 31.156 1.368 1
1 51 . 17 1 1 A 5 5 ASN H H 5 8.141 8.102 0.039 1
1 52 . 17 1 1 A 5 5 ASN HA H 5 4.527 4.344 0.183 1
1 57 . 17 1 1 A 5 5 ASN CB C 5 37.852 39.490 -1.638 1
1 58 . 17 1 1 A 5 5 ASN N N 5 118.143 117.522 0.621 1
1 60 . 17 1 1 A 6 6 PHE H H 6 8.268 8.043 0.225 1
1 61 . 17 1 1 A 6 6 PHE HA H 6 4.233 4.149 0.084 1
1 69 . 17 1 1 A 6 6 PHE CA C 6 61.121 61.421 -0.300 1
1 70 . 17 1 1 A 6 6 PHE CB C 6 39.051 38.683 0.368 1
1 75 . 17 1 1 A 6 6 PHE N N 6 122.645 119.947 2.698 1
1 76 . 17 1 1 A 7 7 TRP H H 7 8.210 7.944 0.266 1
1 77 . 17 1 1 A 7 7 TRP HA H 7 4.218 4.503 -0.285 1
1 86 . 17 1 1 A 7 7 TRP CA C 7 57.537 60.584 -3.047 1
1 87 . 17 1 1 A 7 7 TRP CB C 7 29.031 29.085 -0.054 1
1 94 . 17 1 1 A 7 7 TRP N N 7 119.652 119.486 0.166 1
1 96 . 17 1 1 A 8 8 SER H H 8 8.313 8.190 0.123 1
1 97 . 17 1 1 A 8 8 SER HA H 8 4.211 4.144 0.067 1
1 100 . 17 1 1 A 8 8 SER CA C 8 60.128 61.806 -1.678 1
1 101 . 17 1 1 A 8 8 SER CB C 8 62.938 62.914 0.024 1
1 102 . 17 1 1 A 8 8 SER N N 8 113.442 115.436 -1.994 1
1 103 . 17 1 1 A 9 9 SER H H 9 7.864 7.764 0.100 1
1 104 . 17 1 1 A 9 9 SER HA H 9 4.255 4.123 0.132 1
1 107 . 17 1 1 A 9 9 SER CA C 9 61.797 62.296 -0.499 1
1 108 . 17 1 1 A 9 9 SER CB C 9 62.938 63.114 -0.176 1
1 109 . 17 1 1 A 9 9 SER N N 9 117.994 117.196 0.798 1
1 110 . 17 1 1 A 10 10 LEU H H 10 7.867 8.252 -0.385 1
1 111 . 17 1 1 A 10 10 LEU HA H 10 4.047 4.082 -0.035 1
1 121 . 17 1 1 A 10 10 LEU CA C 10 57.592 58.287 -0.695 1
1 122 . 17 1 1 A 10 10 LEU CB C 10 41.896 41.417 0.479 1
1 126 . 17 1 1 A 10 10 LEU N N 10 124.116 121.330 2.786 1
1 127 . 17 1 1 A 11 11 ARG H H 11 7.975 8.160 -0.185 1
1 128 . 17 1 1 A 11 11 ARG HA H 11 4.051 3.979 0.072 1
1 136 . 17 1 1 A 11 11 ARG CA C 11 58.881 59.855 -0.974 1
1 137 . 17 1 1 A 11 11 ARG CB C 11 29.959 29.985 -0.026 1
1 140 . 17 1 1 A 11 11 ARG N N 11 118.035 120.125 -2.090 1
1 142 . 17 1 1 A 12 12 LYS H H 12 7.928 7.604 0.324 1
1 143 . 17 1 1 A 12 12 LYS HA H 12 4.161 4.143 0.018 1
1 155 . 17 1 1 A 12 12 LYS CA C 12 59.020 59.351 -0.331 1
1 156 . 17 1 1 A 12 12 LYS CB C 12 32.512 32.199 0.313 1
1 160 . 17 1 1 A 12 12 LYS N N 12 118.806 118.440 0.366 1
1 161 . 17 1 1 A 13 13 GLY H H 13 8.079 7.832 0.247 1
1 162 . 17 1 1 A 13 13 GLY HA2 H 13 3.890 3.737 0.153 1
1 163 . 17 1 1 A 13 13 GLY HA3 H 13 3.890 3.761 0.129 1
1 164 . 17 1 1 A 13 13 GLY CA C 13 46.369 47.404 -1.035 1
1 165 . 17 1 1 A 13 13 GLY N N 13 106.212 108.191 -1.979 1
1 166 . 17 1 1 A 14 14 PHE H H 14 8.135 8.129 0.006 1
1 167 . 17 1 1 A 14 14 PHE HA H 14 4.436 4.127 0.309 1
1 175 . 17 1 1 A 14 14 PHE CA C 14 60.182 60.540 -0.358 1
1 176 . 17 1 1 A 14 14 PHE CB C 14 39.096 39.132 -0.036 1
1 180 . 17 1 1 A 15 15 TYR H H 15 8.230 8.257 -0.027 1
1 181 . 17 1 1 A 15 15 TYR HA H 15 4.364 4.314 0.050 1
1 188 . 17 1 1 A 15 15 TYR CA C 15 60.249 60.766 -0.517 1
1 189 . 17 1 1 A 15 15 TYR CB C 15 38.313 38.775 -0.462 1
1 194 . 17 1 1 A 15 15 TYR N N 15 119.420 119.994 -0.574 1
1 195 . 17 1 1 A 16 16 ASP H H 16 8.516 7.683 0.833 1
1 196 . 17 1 1 A 16 16 ASP HA H 16 4.652 4.880 -0.228 1
1 199 . 17 1 1 A 16 16 ASP CB C 16 37.561 41.450 -3.889 1
1 200 . 17 1 1 A 16 16 ASP N N 16 118.037 118.368 -0.331 1
1 201 . 17 1 1 A 17 17 GLY H H 17 7.858 8.320 -0.462 1
1 202 . 17 1 1 A 17 17 GLY HA2 H 17 3.971 3.549 0.422 1
1 203 . 17 1 1 A 17 17 GLY HA3 H 17 3.971 3.706 0.265 1
1 204 . 17 1 1 A 17 17 GLY CA C 17 46.025 46.369 -0.344 1
1 205 . 17 1 1 A 17 17 GLY N N 17 107.457 108.856 -1.399 1
1 206 . 17 1 1 A 18 18 GLU H H 18 8.087 7.088 0.999 1
1 207 . 17 1 1 A 18 18 GLU HA H 18 4.215 4.008 0.207 1
1 212 . 17 1 1 A 18 18 GLU CB C 18 28.150 29.977 -1.827 1
1 214 . 17 1 1 A 18 18 GLU N N 18 119.806 120.983 -1.177 1
1 215 . 17 1 1 A 19 19 ALA H H 19 8.176 8.226 -0.050 1
1 216 . 17 1 1 A 19 19 ALA HA H 19 4.154 4.248 -0.094 1
1 220 . 17 1 1 A 19 19 ALA CA C 19 54.191 54.779 -0.588 1
1 221 . 17 1 1 A 19 19 ALA CB C 19 17.953 18.538 -0.585 1
1 222 . 17 1 1 A 19 19 ALA N N 19 122.201 122.251 -0.050 1
1 223 . 17 1 1 A 20 20 GLY H H 20 8.049 8.379 -0.330 1
1 224 . 17 1 1 A 20 20 GLY HA2 H 20 3.918 3.881 0.037 1
1 225 . 17 1 1 A 20 20 GLY HA3 H 20 3.918 3.904 0.014 1
1 226 . 17 1 1 A 20 20 GLY CA C 20 46.090 46.892 -0.802 1
1 227 . 17 1 1 A 20 20 GLY N N 20 104.575 105.380 -0.805 1
1 228 . 17 1 1 A 21 21 ARG H H 21 7.723 7.456 0.267 1
1 229 . 17 1 1 A 21 21 ARG HA H 21 4.289 4.190 0.099 1
1 237 . 17 1 1 A 21 21 ARG CA C 21 57.263 57.819 -0.556 1
1 238 . 17 1 1 A 21 21 ARG CB C 21 30.701 31.676 -0.975 1
1 241 . 17 1 1 A 21 21 ARG N N 21 119.035 121.034 -1.999 1
1 243 . 17 1 1 A 22 22 ALA H H 22 7.954 7.265 0.689 1
1 244 . 17 1 1 A 22 22 ALA HA H 22 4.321 4.560 -0.239 1
1 248 . 17 1 1 A 22 22 ALA CA C 22 53.247 51.479 1.768 1
1 249 . 17 1 1 A 22 22 ALA CB C 22 18.221 21.079 -2.858 1
1 250 . 17 1 1 A 22 22 ALA N N 22 122.098 118.160 3.938 1
1 251 . 17 1 1 A 23 23 ILE H H 23 7.705 8.702 -0.997 1
1 252 . 17 1 1 A 23 23 ILE HA H 23 4.162 4.122 0.040 1
1 262 . 17 1 1 A 23 23 ILE CA C 23 61.798 62.992 -1.194 1
1 263 . 17 1 1 A 23 23 ILE CB C 23 38.823 38.407 0.416 1
1 267 . 17 1 1 A 23 23 ILE N N 23 117.111 124.941 -7.830 1
1 268 . 17 1 1 A 24 24 ARG H H 24 7.926 8.105 -0.179 1
1 269 . 17 1 1 A 24 24 ARG HA H 24 4.407 4.518 -0.111 1
1 277 . 17 1 1 A 24 24 ARG CA C 24 55.977 56.974 -0.997 1
1 278 . 17 1 1 A 24 24 ARG CB C 24 30.582 33.176 -2.594 1
1 281 . 17 1 1 A 24 24 ARG N N 24 122.716 119.119 3.597 1
1 4 . 18 1 1 A 2 2 ALA H H 2 8.663 8.318 0.345 1
1 5 . 18 1 1 A 2 2 ALA HA H 2 4.329 4.398 -0.069 1
1 9 . 18 1 1 A 2 2 ALA CA C 2 54.217 52.741 1.476 1
1 10 . 18 1 1 A 2 2 ALA CB C 2 18.718 21.236 -2.518 1
1 11 . 18 1 1 A 2 2 ALA N N 2 123.890 126.811 -2.921 1
1 12 . 18 1 1 A 3 3 TRP H H 3 8.289 8.398 -0.109 1
1 13 . 18 1 1 A 3 3 TRP HA H 3 4.629 4.477 0.152 1
1 22 . 18 1 1 A 3 3 TRP CB C 3 29.120 28.756 0.364 1
1 31 . 18 1 1 A 3 3 TRP N N 3 119.200 117.660 1.540 1
1 33 . 18 1 1 A 4 4 LYS H H 4 8.133 7.599 0.534 1
1 34 . 18 1 1 A 4 4 LYS HA H 4 4.160 3.911 0.249 1
1 46 . 18 1 1 A 4 4 LYS CA C 4 59.001 58.824 0.177 1
1 47 . 18 1 1 A 4 4 LYS CB C 4 32.524 31.001 1.523 1
1 51 . 18 1 1 A 5 5 ASN H H 5 8.141 8.061 0.080 1
1 52 . 18 1 1 A 5 5 ASN HA H 5 4.527 4.312 0.215 1
1 57 . 18 1 1 A 5 5 ASN CB C 5 37.852 39.559 -1.707 1
1 58 . 18 1 1 A 5 5 ASN N N 5 118.143 117.213 0.930 1
1 60 . 18 1 1 A 6 6 PHE H H 6 8.268 7.895 0.373 1
1 61 . 18 1 1 A 6 6 PHE HA H 6 4.233 4.168 0.065 1
1 69 . 18 1 1 A 6 6 PHE CA C 6 61.121 61.253 -0.132 1
1 70 . 18 1 1 A 6 6 PHE CB C 6 39.051 38.706 0.345 1
1 75 . 18 1 1 A 6 6 PHE N N 6 122.645 119.563 3.082 1
1 76 . 18 1 1 A 7 7 TRP H H 7 8.210 7.554 0.656 1
1 77 . 18 1 1 A 7 7 TRP HA H 7 4.218 3.990 0.228 1
1 86 . 18 1 1 A 7 7 TRP CA C 7 57.537 60.502 -2.965 1
1 87 . 18 1 1 A 7 7 TRP CB C 7 29.031 28.743 0.288 1
1 94 . 18 1 1 A 7 7 TRP N N 7 119.652 119.204 0.448 1
1 96 . 18 1 1 A 8 8 SER H H 8 8.313 8.437 -0.124 1
1 97 . 18 1 1 A 8 8 SER HA H 8 4.211 4.073 0.138 1
1 100 . 18 1 1 A 8 8 SER CA C 8 60.128 61.783 -1.655 1
1 101 . 18 1 1 A 8 8 SER CB C 8 62.938 62.853 0.085 1
1 102 . 18 1 1 A 8 8 SER N N 8 113.442 115.498 -2.056 1
1 103 . 18 1 1 A 9 9 SER H H 9 7.864 7.721 0.143 1
1 104 . 18 1 1 A 9 9 SER HA H 9 4.255 4.155 0.100 1
1 107 . 18 1 1 A 9 9 SER CA C 9 61.797 62.413 -0.616 1
1 108 . 18 1 1 A 9 9 SER CB C 9 62.938 63.202 -0.264 1
1 109 . 18 1 1 A 9 9 SER N N 9 117.994 116.971 1.023 1
1 110 . 18 1 1 A 10 10 LEU H H 10 7.867 8.074 -0.207 1
1 111 . 18 1 1 A 10 10 LEU HA H 10 4.047 3.937 0.110 1
1 121 . 18 1 1 A 10 10 LEU CA C 10 57.592 58.102 -0.510 1
1 122 . 18 1 1 A 10 10 LEU CB C 10 41.896 41.607 0.289 1
1 126 . 18 1 1 A 10 10 LEU N N 10 124.116 120.954 3.162 1
1 127 . 18 1 1 A 11 11 ARG H H 11 7.975 8.476 -0.501 1
1 128 . 18 1 1 A 11 11 ARG HA H 11 4.051 4.016 0.035 1
1 136 . 18 1 1 A 11 11 ARG CA C 11 58.881 60.080 -1.199 1
1 137 . 18 1 1 A 11 11 ARG CB C 11 29.959 30.084 -0.125 1
1 140 . 18 1 1 A 11 11 ARG N N 11 118.035 117.853 0.182 1
1 142 . 18 1 1 A 12 12 LYS H H 12 7.928 7.872 0.056 1
1 143 . 18 1 1 A 12 12 LYS HA H 12 4.161 4.093 0.068 1
1 155 . 18 1 1 A 12 12 LYS CA C 12 59.020 59.326 -0.306 1
1 156 . 18 1 1 A 12 12 LYS CB C 12 32.512 32.376 0.136 1
1 160 . 18 1 1 A 12 12 LYS N N 12 118.806 119.657 -0.851 1
1 161 . 18 1 1 A 13 13 GLY H H 13 8.079 8.064 0.015 1
1 162 . 18 1 1 A 13 13 GLY HA2 H 13 3.890 3.639 0.251 1
1 163 . 18 1 1 A 13 13 GLY HA3 H 13 3.890 3.657 0.233 1
1 164 . 18 1 1 A 13 13 GLY CA C 13 46.369 47.397 -1.028 1
1 165 . 18 1 1 A 13 13 GLY N N 13 106.212 107.710 -1.498 1
1 166 . 18 1 1 A 14 14 PHE H H 14 8.135 8.242 -0.107 1
1 167 . 18 1 1 A 14 14 PHE HA H 14 4.436 4.155 0.281 1
1 175 . 18 1 1 A 14 14 PHE CA C 14 60.182 60.761 -0.579 1
1 176 . 18 1 1 A 14 14 PHE CB C 14 39.096 39.311 -0.215 1
1 180 . 18 1 1 A 15 15 TYR H H 15 8.230 8.234 -0.004 1
1 181 . 18 1 1 A 15 15 TYR HA H 15 4.364 4.296 0.068 1
1 188 . 18 1 1 A 15 15 TYR CA C 15 60.249 61.449 -1.200 1
1 189 . 18 1 1 A 15 15 TYR CB C 15 38.313 39.030 -0.717 1
1 194 . 18 1 1 A 15 15 TYR N N 15 119.420 119.819 -0.399 1
1 195 . 18 1 1 A 16 16 ASP H H 16 8.516 7.738 0.778 1
1 196 . 18 1 1 A 16 16 ASP HA H 16 4.652 4.973 -0.321 1
1 199 . 18 1 1 A 16 16 ASP CB C 16 37.561 41.538 -3.977 1
1 200 . 18 1 1 A 16 16 ASP N N 16 118.037 118.833 -0.796 1
1 201 . 18 1 1 A 17 17 GLY H H 17 7.858 7.777 0.081 1
1 202 . 18 1 1 A 17 17 GLY HA2 H 17 3.971 3.828 0.143 1
1 203 . 18 1 1 A 17 17 GLY HA3 H 17 3.971 4.026 -0.055 1
1 204 . 18 1 1 A 17 17 GLY CA C 17 46.025 45.839 0.186 1
1 205 . 18 1 1 A 17 17 GLY N N 17 107.457 109.156 -1.699 1
1 206 . 18 1 1 A 18 18 GLU H H 18 8.087 7.131 0.956 1
1 207 . 18 1 1 A 18 18 GLU HA H 18 4.215 4.061 0.154 1
1 212 . 18 1 1 A 18 18 GLU CB C 18 28.150 29.925 -1.775 1
1 214 . 18 1 1 A 18 18 GLU N N 18 119.806 120.961 -1.155 1
1 215 . 18 1 1 A 19 19 ALA H H 19 8.176 8.166 0.010 1
1 216 . 18 1 1 A 19 19 ALA HA H 19 4.154 4.008 0.146 1
1 220 . 18 1 1 A 19 19 ALA CA C 19 54.191 54.692 -0.501 1
1 221 . 18 1 1 A 19 19 ALA CB C 19 17.953 18.398 -0.445 1
1 222 . 18 1 1 A 19 19 ALA N N 19 122.201 121.832 0.369 1
1 223 . 18 1 1 A 20 20 GLY H H 20 8.049 8.304 -0.255 1
1 224 . 18 1 1 A 20 20 GLY HA2 H 20 3.918 3.853 0.065 1
1 225 . 18 1 1 A 20 20 GLY HA3 H 20 3.918 3.878 0.040 1
1 226 . 18 1 1 A 20 20 GLY CA C 20 46.090 46.955 -0.865 1
1 227 . 18 1 1 A 20 20 GLY N N 20 104.575 105.720 -1.145 1
1 228 . 18 1 1 A 21 21 ARG H H 21 7.723 7.367 0.356 1
1 229 . 18 1 1 A 21 21 ARG HA H 21 4.289 4.148 0.141 1
1 237 . 18 1 1 A 21 21 ARG CA C 21 57.263 58.508 -1.245 1
1 238 . 18 1 1 A 21 21 ARG CB C 21 30.701 30.754 -0.053 1
1 241 . 18 1 1 A 21 21 ARG N N 21 119.035 119.918 -0.883 1
1 243 . 18 1 1 A 22 22 ALA H H 22 7.954 7.605 0.349 1
1 244 . 18 1 1 A 22 22 ALA HA H 22 4.321 4.466 -0.145 1
1 248 . 18 1 1 A 22 22 ALA CA C 22 53.247 52.037 1.210 1
1 249 . 18 1 1 A 22 22 ALA CB C 22 18.221 20.827 -2.606 1
1 250 . 18 1 1 A 22 22 ALA N N 22 122.098 117.462 4.636 1
1 251 . 18 1 1 A 23 23 ILE H H 23 7.705 8.768 -1.063 1
1 252 . 18 1 1 A 23 23 ILE HA H 23 4.162 3.854 0.308 1
1 262 . 18 1 1 A 23 23 ILE CA C 23 61.798 64.847 -3.049 1
1 263 . 18 1 1 A 23 23 ILE CB C 23 38.823 38.181 0.642 1
1 267 . 18 1 1 A 23 23 ILE N N 23 117.111 124.627 -7.516 1
1 268 . 18 1 1 A 24 24 ARG H H 24 7.926 8.029 -0.103 1
1 269 . 18 1 1 A 24 24 ARG HA H 24 4.407 4.572 -0.165 1
1 277 . 18 1 1 A 24 24 ARG CA C 24 55.977 56.928 -0.951 1
1 278 . 18 1 1 A 24 24 ARG CB C 24 30.582 31.994 -1.412 1
1 281 . 18 1 1 A 24 24 ARG N N 24 122.716 118.979 3.737 1
1 4 . 19 1 1 A 2 2 ALA H H 2 8.663 7.798 0.865 1
1 5 . 19 1 1 A 2 2 ALA HA H 2 4.329 4.369 -0.040 1
1 9 . 19 1 1 A 2 2 ALA CA C 2 54.217 52.739 1.478 1
1 10 . 19 1 1 A 2 2 ALA CB C 2 18.718 21.179 -2.461 1
1 11 . 19 1 1 A 2 2 ALA N N 2 123.890 119.185 4.705 1
1 12 . 19 1 1 A 3 3 TRP H H 3 8.289 8.518 -0.229 1
1 13 . 19 1 1 A 3 3 TRP HA H 3 4.629 4.411 0.218 1
1 22 . 19 1 1 A 3 3 TRP CB C 3 29.120 28.588 0.532 1
1 31 . 19 1 1 A 3 3 TRP N N 3 119.200 117.439 1.761 1
1 33 . 19 1 1 A 4 4 LYS H H 4 8.133 7.452 0.681 1
1 34 . 19 1 1 A 4 4 LYS HA H 4 4.160 3.870 0.290 1
1 46 . 19 1 1 A 4 4 LYS CA C 4 59.001 59.232 -0.231 1
1 47 . 19 1 1 A 4 4 LYS CB C 4 32.524 31.209 1.315 1
1 51 . 19 1 1 A 5 5 ASN H H 5 8.141 8.120 0.021 1
1 52 . 19 1 1 A 5 5 ASN HA H 5 4.527 4.305 0.222 1
1 57 . 19 1 1 A 5 5 ASN CB C 5 37.852 38.308 -0.456 1
1 58 . 19 1 1 A 5 5 ASN N N 5 118.143 118.201 -0.058 1
1 60 . 19 1 1 A 6 6 PHE H H 6 8.268 7.955 0.313 1
1 61 . 19 1 1 A 6 6 PHE HA H 6 4.233 4.226 0.007 1
1 69 . 19 1 1 A 6 6 PHE CA C 6 61.121 61.235 -0.114 1
1 70 . 19 1 1 A 6 6 PHE CB C 6 39.051 38.505 0.546 1
1 75 . 19 1 1 A 6 6 PHE N N 6 122.645 120.891 1.754 1
1 76 . 19 1 1 A 7 7 TRP H H 7 8.210 7.340 0.870 1
1 77 . 19 1 1 A 7 7 TRP HA H 7 4.218 4.559 -0.341 1
1 86 . 19 1 1 A 7 7 TRP CA C 7 57.537 60.625 -3.088 1
1 87 . 19 1 1 A 7 7 TRP CB C 7 29.031 29.153 -0.122 1
1 94 . 19 1 1 A 7 7 TRP N N 7 119.652 119.795 -0.143 1
1 96 . 19 1 1 A 8 8 SER H H 8 8.313 8.209 0.104 1
1 97 . 19 1 1 A 8 8 SER HA H 8 4.211 4.192 0.019 1
1 100 . 19 1 1 A 8 8 SER CA C 8 60.128 62.072 -1.944 1
1 101 . 19 1 1 A 8 8 SER CB C 8 62.938 62.792 0.146 1
1 102 . 19 1 1 A 8 8 SER N N 8 113.442 116.889 -3.447 1
1 103 . 19 1 1 A 9 9 SER H H 9 7.864 7.548 0.316 1
1 104 . 19 1 1 A 9 9 SER HA H 9 4.255 4.161 0.094 1
1 107 . 19 1 1 A 9 9 SER CA C 9 61.797 61.819 -0.022 1
1 108 . 19 1 1 A 9 9 SER CB C 9 62.938 63.051 -0.113 1
1 109 . 19 1 1 A 9 9 SER N N 9 117.994 116.796 1.198 1
1 110 . 19 1 1 A 10 10 LEU H H 10 7.867 8.210 -0.343 1
1 111 . 19 1 1 A 10 10 LEU HA H 10 4.047 4.018 0.029 1
1 121 . 19 1 1 A 10 10 LEU CA C 10 57.592 58.165 -0.573 1
1 122 . 19 1 1 A 10 10 LEU CB C 10 41.896 41.692 0.204 1
1 126 . 19 1 1 A 10 10 LEU N N 10 124.116 121.460 2.656 1
1 127 . 19 1 1 A 11 11 ARG H H 11 7.975 8.302 -0.327 1
1 128 . 19 1 1 A 11 11 ARG HA H 11 4.051 3.974 0.077 1
1 136 . 19 1 1 A 11 11 ARG CA C 11 58.881 60.637 -1.756 1
1 137 . 19 1 1 A 11 11 ARG CB C 11 29.959 29.938 0.021 1
1 140 . 19 1 1 A 11 11 ARG N N 11 118.035 119.444 -1.409 1
1 142 . 19 1 1 A 12 12 LYS H H 12 7.928 7.632 0.296 1
1 143 . 19 1 1 A 12 12 LYS HA H 12 4.161 4.154 0.007 1
1 155 . 19 1 1 A 12 12 LYS CA C 12 59.020 59.347 -0.327 1
1 156 . 19 1 1 A 12 12 LYS CB C 12 32.512 32.192 0.320 1
1 160 . 19 1 1 A 12 12 LYS N N 12 118.806 118.681 0.125 1
1 161 . 19 1 1 A 13 13 GLY H H 13 8.079 7.971 0.108 1
1 162 . 19 1 1 A 13 13 GLY HA2 H 13 3.890 3.739 0.151 1
1 163 . 19 1 1 A 13 13 GLY HA3 H 13 3.890 3.765 0.125 1
1 164 . 19 1 1 A 13 13 GLY CA C 13 46.369 47.399 -1.030 1
1 165 . 19 1 1 A 13 13 GLY N N 13 106.212 108.118 -1.906 1
1 166 . 19 1 1 A 14 14 PHE H H 14 8.135 8.044 0.091 1
1 167 . 19 1 1 A 14 14 PHE HA H 14 4.436 4.112 0.324 1
1 175 . 19 1 1 A 14 14 PHE CA C 14 60.182 60.554 -0.372 1
1 176 . 19 1 1 A 14 14 PHE CB C 14 39.096 39.056 0.040 1
1 180 . 19 1 1 A 15 15 TYR H H 15 8.230 8.337 -0.107 1
1 181 . 19 1 1 A 15 15 TYR HA H 15 4.364 4.281 0.083 1
1 188 . 19 1 1 A 15 15 TYR CA C 15 60.249 60.997 -0.748 1
1 189 . 19 1 1 A 15 15 TYR CB C 15 38.313 38.947 -0.634 1
1 194 . 19 1 1 A 15 15 TYR N N 15 119.420 120.155 -0.735 1
1 195 . 19 1 1 A 16 16 ASP H H 16 8.516 7.452 1.064 1
1 196 . 19 1 1 A 16 16 ASP HA H 16 4.652 4.987 -0.335 1
1 199 . 19 1 1 A 16 16 ASP CB C 16 37.561 41.822 -4.261 1
1 200 . 19 1 1 A 16 16 ASP N N 16 118.037 118.955 -0.918 1
1 201 . 19 1 1 A 17 17 GLY H H 17 7.858 8.317 -0.459 1
1 202 . 19 1 1 A 17 17 GLY HA2 H 17 3.971 3.609 0.362 1
1 203 . 19 1 1 A 17 17 GLY HA3 H 17 3.971 3.764 0.207 1
1 204 . 19 1 1 A 17 17 GLY CA C 17 46.025 46.373 -0.348 1
1 205 . 19 1 1 A 17 17 GLY N N 17 107.457 108.872 -1.415 1
1 206 . 19 1 1 A 18 18 GLU H H 18 8.087 7.171 0.916 1
1 207 . 19 1 1 A 18 18 GLU HA H 18 4.215 4.051 0.164 1
1 212 . 19 1 1 A 18 18 GLU CB C 18 28.150 30.064 -1.914 1
1 214 . 19 1 1 A 18 18 GLU N N 18 119.806 121.829 -2.023 1
1 215 . 19 1 1 A 19 19 ALA H H 19 8.176 8.149 0.027 1
1 216 . 19 1 1 A 19 19 ALA HA H 19 4.154 4.005 0.149 1
1 220 . 19 1 1 A 19 19 ALA CA C 19 54.191 54.691 -0.500 1
1 221 . 19 1 1 A 19 19 ALA CB C 19 17.953 18.433 -0.480 1
1 222 . 19 1 1 A 19 19 ALA N N 19 122.201 122.929 -0.728 1
1 223 . 19 1 1 A 20 20 GLY H H 20 8.049 8.300 -0.251 1
1 224 . 19 1 1 A 20 20 GLY HA2 H 20 3.918 3.868 0.050 1
1 225 . 19 1 1 A 20 20 GLY HA3 H 20 3.918 3.891 0.027 1
1 226 . 19 1 1 A 20 20 GLY CA C 20 46.090 46.970 -0.880 1
1 227 . 19 1 1 A 20 20 GLY N N 20 104.575 105.930 -1.355 1
1 228 . 19 1 1 A 21 21 ARG H H 21 7.723 7.392 0.331 1
1 229 . 19 1 1 A 21 21 ARG HA H 21 4.289 4.134 0.155 1
1 237 . 19 1 1 A 21 21 ARG CA C 21 57.263 58.758 -1.495 1
1 238 . 19 1 1 A 21 21 ARG CB C 21 30.701 30.855 -0.154 1
1 241 . 19 1 1 A 21 21 ARG N N 21 119.035 119.907 -0.872 1
1 243 . 19 1 1 A 22 22 ALA H H 22 7.954 7.652 0.302 1
1 244 . 19 1 1 A 22 22 ALA HA H 22 4.321 4.561 -0.240 1
1 248 . 19 1 1 A 22 22 ALA CA C 22 53.247 51.773 1.474 1
1 249 . 19 1 1 A 22 22 ALA CB C 22 18.221 21.373 -3.152 1
1 250 . 19 1 1 A 22 22 ALA N N 22 122.098 118.238 3.860 1
1 251 . 19 1 1 A 23 23 ILE H H 23 7.705 8.844 -1.139 1
1 252 . 19 1 1 A 23 23 ILE HA H 23 4.162 4.053 0.109 1
1 262 . 19 1 1 A 23 23 ILE CA C 23 61.798 63.479 -1.681 1
1 263 . 19 1 1 A 23 23 ILE CB C 23 38.823 38.359 0.464 1
1 267 . 19 1 1 A 23 23 ILE N N 23 117.111 125.349 -8.238 1
1 268 . 19 1 1 A 24 24 ARG H H 24 7.926 7.833 0.093 1
1 269 . 19 1 1 A 24 24 ARG HA H 24 4.407 4.444 -0.037 1
1 277 . 19 1 1 A 24 24 ARG CA C 24 55.977 56.963 -0.986 1
1 278 . 19 1 1 A 24 24 ARG CB C 24 30.582 31.564 -0.982 1
1 281 . 19 1 1 A 24 24 ARG N N 24 122.716 119.205 3.511 1
1 4 . 20 1 1 A 2 2 ALA H H 2 8.663 8.490 0.173 1
1 5 . 20 1 1 A 2 2 ALA HA H 2 4.329 4.435 -0.106 1
1 9 . 20 1 1 A 2 2 ALA CA C 2 54.217 52.955 1.262 1
1 10 . 20 1 1 A 2 2 ALA CB C 2 18.718 21.363 -2.645 1
1 11 . 20 1 1 A 2 2 ALA N N 2 123.890 121.167 2.723 1
1 12 . 20 1 1 A 3 3 TRP H H 3 8.289 8.426 -0.137 1
1 13 . 20 1 1 A 3 3 TRP HA H 3 4.629 4.439 0.190 1
1 22 . 20 1 1 A 3 3 TRP CB C 3 29.120 29.047 0.073 1
1 31 . 20 1 1 A 3 3 TRP N N 3 119.200 117.660 1.540 1
1 33 . 20 1 1 A 4 4 LYS H H 4 8.133 7.541 0.592 1
1 34 . 20 1 1 A 4 4 LYS HA H 4 4.160 3.868 0.292 1
1 46 . 20 1 1 A 4 4 LYS CA C 4 59.001 58.733 0.268 1
1 47 . 20 1 1 A 4 4 LYS CB C 4 32.524 31.213 1.311 1
1 51 . 20 1 1 A 5 5 ASN H H 5 8.141 8.032 0.109 1
1 52 . 20 1 1 A 5 5 ASN HA H 5 4.527 4.324 0.203 1
1 57 . 20 1 1 A 5 5 ASN CB C 5 37.852 38.156 -0.304 1
1 58 . 20 1 1 A 5 5 ASN N N 5 118.143 117.461 0.682 1
1 60 . 20 1 1 A 6 6 PHE H H 6 8.268 7.989 0.279 1
1 61 . 20 1 1 A 6 6 PHE HA H 6 4.233 4.115 0.118 1
1 69 . 20 1 1 A 6 6 PHE CA C 6 61.121 61.199 -0.078 1
1 70 . 20 1 1 A 6 6 PHE CB C 6 39.051 38.498 0.553 1
1 75 . 20 1 1 A 6 6 PHE N N 6 122.645 120.638 2.007 1
1 76 . 20 1 1 A 7 7 TRP H H 7 8.210 7.810 0.400 1
1 77 . 20 1 1 A 7 7 TRP HA H 7 4.218 4.527 -0.309 1
1 86 . 20 1 1 A 7 7 TRP CA C 7 57.537 60.911 -3.374 1
1 87 . 20 1 1 A 7 7 TRP CB C 7 29.031 29.224 -0.193 1
1 94 . 20 1 1 A 7 7 TRP N N 7 119.652 119.514 0.138 1
1 96 . 20 1 1 A 8 8 SER H H 8 8.313 8.195 0.118 1
1 97 . 20 1 1 A 8 8 SER HA H 8 4.211 4.132 0.079 1
1 100 . 20 1 1 A 8 8 SER CA C 8 60.128 61.787 -1.659 1
1 101 . 20 1 1 A 8 8 SER CB C 8 62.938 62.877 0.061 1
1 102 . 20 1 1 A 8 8 SER N N 8 113.442 115.757 -2.315 1
1 103 . 20 1 1 A 9 9 SER H H 9 7.864 7.513 0.351 1
1 104 . 20 1 1 A 9 9 SER HA H 9 4.255 4.139 0.116 1
1 107 . 20 1 1 A 9 9 SER CA C 9 61.797 61.802 -0.005 1
1 108 . 20 1 1 A 9 9 SER CB C 9 62.938 62.969 -0.031 1
1 109 . 20 1 1 A 9 9 SER N N 9 117.994 115.988 2.006 1
1 110 . 20 1 1 A 10 10 LEU H H 10 7.867 8.115 -0.248 1
1 111 . 20 1 1 A 10 10 LEU HA H 10 4.047 4.003 0.044 1
1 121 . 20 1 1 A 10 10 LEU CA C 10 57.592 58.232 -0.640 1
1 122 . 20 1 1 A 10 10 LEU CB C 10 41.896 41.791 0.105 1
1 126 . 20 1 1 A 10 10 LEU N N 10 124.116 121.380 2.736 1
1 127 . 20 1 1 A 11 11 ARG H H 11 7.975 8.178 -0.203 1
1 128 . 20 1 1 A 11 11 ARG HA H 11 4.051 4.072 -0.021 1
1 136 . 20 1 1 A 11 11 ARG CA C 11 58.881 60.000 -1.119 1
1 137 . 20 1 1 A 11 11 ARG CB C 11 29.959 30.131 -0.172 1
1 140 . 20 1 1 A 11 11 ARG N N 11 118.035 119.791 -1.756 1
1 142 . 20 1 1 A 12 12 LYS H H 12 7.928 7.613 0.315 1
1 143 . 20 1 1 A 12 12 LYS HA H 12 4.161 4.097 0.064 1
1 155 . 20 1 1 A 12 12 LYS CA C 12 59.020 59.298 -0.278 1
1 156 . 20 1 1 A 12 12 LYS CB C 12 32.512 32.243 0.269 1
1 160 . 20 1 1 A 12 12 LYS N N 12 118.806 118.209 0.597 1
1 161 . 20 1 1 A 13 13 GLY H H 13 8.079 7.968 0.111 1
1 162 . 20 1 1 A 13 13 GLY HA2 H 13 3.890 3.728 0.162 1
1 163 . 20 1 1 A 13 13 GLY HA3 H 13 3.890 3.755 0.135 1
1 164 . 20 1 1 A 13 13 GLY CA C 13 46.369 47.403 -1.034 1
1 165 . 20 1 1 A 13 13 GLY N N 13 106.212 108.101 -1.889 1
1 166 . 20 1 1 A 14 14 PHE H H 14 8.135 8.167 -0.032 1
1 167 . 20 1 1 A 14 14 PHE HA H 14 4.436 4.137 0.299 1
1 175 . 20 1 1 A 14 14 PHE CA C 14 60.182 60.576 -0.394 1
1 176 . 20 1 1 A 14 14 PHE CB C 14 39.096 39.077 0.019 1
1 180 . 20 1 1 A 15 15 TYR H H 15 8.230 8.251 -0.021 1
1 181 . 20 1 1 A 15 15 TYR HA H 15 4.364 4.199 0.165 1
1 188 . 20 1 1 A 15 15 TYR CA C 15 60.249 60.548 -0.299 1
1 189 . 20 1 1 A 15 15 TYR CB C 15 38.313 38.665 -0.352 1
1 194 . 20 1 1 A 15 15 TYR N N 15 119.420 119.708 -0.288 1
1 195 . 20 1 1 A 16 16 ASP H H 16 8.516 7.573 0.943 1
1 196 . 20 1 1 A 16 16 ASP HA H 16 4.652 5.071 -0.419 1
1 199 . 20 1 1 A 16 16 ASP CB C 16 37.561 41.231 -3.670 1
1 200 . 20 1 1 A 16 16 ASP N N 16 118.037 118.393 -0.356 1
1 201 . 20 1 1 A 17 17 GLY H H 17 7.858 7.633 0.225 1
1 202 . 20 1 1 A 17 17 GLY HA2 H 17 3.971 3.987 -0.016 1
1 203 . 20 1 1 A 17 17 GLY HA3 H 17 3.971 4.088 -0.117 1
1 204 . 20 1 1 A 17 17 GLY CA C 17 46.025 45.821 0.204 1
1 205 . 20 1 1 A 17 17 GLY N N 17 107.457 108.167 -0.710 1
1 206 . 20 1 1 A 18 18 GLU H H 18 8.087 6.971 1.116 1
1 207 . 20 1 1 A 18 18 GLU HA H 18 4.215 4.045 0.170 1
1 212 . 20 1 1 A 18 18 GLU CB C 18 28.150 29.726 -1.576 1
1 214 . 20 1 1 A 18 18 GLU N N 18 119.806 121.029 -1.223 1
1 215 . 20 1 1 A 19 19 ALA H H 19 8.176 7.931 0.245 1
1 216 . 20 1 1 A 19 19 ALA HA H 19 4.154 4.172 -0.018 1
1 220 . 20 1 1 A 19 19 ALA CA C 19 54.191 54.614 -0.423 1
1 221 . 20 1 1 A 19 19 ALA CB C 19 17.953 18.229 -0.276 1
1 222 . 20 1 1 A 19 19 ALA N N 19 122.201 121.445 0.756 1
1 223 . 20 1 1 A 20 20 GLY H H 20 8.049 8.269 -0.220 1
1 224 . 20 1 1 A 20 20 GLY HA2 H 20 3.918 3.845 0.073 1
1 225 . 20 1 1 A 20 20 GLY HA3 H 20 3.918 3.868 0.050 1
1 226 . 20 1 1 A 20 20 GLY CA C 20 46.090 46.923 -0.833 1
1 227 . 20 1 1 A 20 20 GLY N N 20 104.575 105.893 -1.318 1
1 228 . 20 1 1 A 21 21 ARG H H 21 7.723 7.656 0.067 1
1 229 . 20 1 1 A 21 21 ARG HA H 21 4.289 4.156 0.133 1
1 237 . 20 1 1 A 21 21 ARG CA C 21 57.263 57.808 -0.545 1
1 238 . 20 1 1 A 21 21 ARG CB C 21 30.701 31.677 -0.976 1
1 241 . 20 1 1 A 21 21 ARG N N 21 119.035 121.080 -2.045 1
1 243 . 20 1 1 A 22 22 ALA H H 22 7.954 7.071 0.883 1
1 244 . 20 1 1 A 22 22 ALA HA H 22 4.321 4.598 -0.277 1
1 248 . 20 1 1 A 22 22 ALA CA C 22 53.247 51.731 1.516 1
1 249 . 20 1 1 A 22 22 ALA CB C 22 18.221 21.587 -3.366 1
1 250 . 20 1 1 A 22 22 ALA N N 22 122.098 117.840 4.258 1
1 251 . 20 1 1 A 23 23 ILE H H 23 7.705 8.691 -0.986 1
1 252 . 20 1 1 A 23 23 ILE HA H 23 4.162 4.104 0.058 1
1 262 . 20 1 1 A 23 23 ILE CA C 23 61.798 63.094 -1.296 1
1 263 . 20 1 1 A 23 23 ILE CB C 23 38.823 38.300 0.523 1
1 267 . 20 1 1 A 23 23 ILE N N 23 117.111 124.825 -7.714 1
1 268 . 20 1 1 A 24 24 ARG H H 24 7.926 8.109 -0.183 1
1 269 . 20 1 1 A 24 24 ARG HA H 24 4.407 4.483 -0.076 1
1 277 . 20 1 1 A 24 24 ARG CA C 24 55.977 56.947 -0.970 1
1 278 . 20 1 1 A 24 24 ARG CB C 24 30.582 31.815 -1.233 1
1 281 . 20 1 1 A 24 24 ARG N N 24 122.716 118.535 4.181 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 19 1.137 1
3 1 1 1 "RMS(OBS, PRED)" CB 20 1.562 1
4 1 1 1 "RMS(OBS, PRED)" H 23 0.454 1
5 1 1 1 "RMS(OBS, PRED)" HA 26 0.183 1
6 1 1 1 "RMS(OBS, PRED)" N 21 2.611 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 19 1.071 1
9 1 2 1 "RMS(OBS, PRED)" CB 20 1.594 1
10 1 2 1 "RMS(OBS, PRED)" H 23 0.520 1
11 1 2 1 "RMS(OBS, PRED)" HA 26 0.217 1
12 1 2 1 "RMS(OBS, PRED)" N 21 2.577 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 19 1.095 1
15 1 3 1 "RMS(OBS, PRED)" CB 20 1.401 1
16 1 3 1 "RMS(OBS, PRED)" H 23 0.475 1
17 1 3 1 "RMS(OBS, PRED)" HA 26 0.204 1
18 1 3 1 "RMS(OBS, PRED)" N 21 2.817 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 19 1.120 1
21 1 4 1 "RMS(OBS, PRED)" CB 20 1.476 1
22 1 4 1 "RMS(OBS, PRED)" H 23 0.445 1
23 1 4 1 "RMS(OBS, PRED)" HA 26 0.192 1
24 1 4 1 "RMS(OBS, PRED)" N 21 2.612 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 19 1.100 1
27 1 5 1 "RMS(OBS, PRED)" CB 20 1.484 1
28 1 5 1 "RMS(OBS, PRED)" H 23 0.462 1
29 1 5 1 "RMS(OBS, PRED)" HA 26 0.212 1
30 1 5 1 "RMS(OBS, PRED)" N 21 2.479 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 19 1.205 1
33 1 6 1 "RMS(OBS, PRED)" CB 20 1.375 1
34 1 6 1 "RMS(OBS, PRED)" H 23 0.465 1
35 1 6 1 "RMS(OBS, PRED)" HA 26 0.220 1
36 1 6 1 "RMS(OBS, PRED)" N 21 2.580 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 19 1.321 1
39 1 7 1 "RMS(OBS, PRED)" CB 20 1.407 1
40 1 7 1 "RMS(OBS, PRED)" H 23 0.472 1
41 1 7 1 "RMS(OBS, PRED)" HA 26 0.189 1
42 1 7 1 "RMS(OBS, PRED)" N 21 2.687 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 19 1.151 1
45 1 8 1 "RMS(OBS, PRED)" CB 20 1.550 1
46 1 8 1 "RMS(OBS, PRED)" H 23 0.453 1
47 1 8 1 "RMS(OBS, PRED)" HA 26 0.191 1
48 1 8 1 "RMS(OBS, PRED)" N 21 2.651 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 19 1.141 1
51 1 9 1 "RMS(OBS, PRED)" CB 20 1.384 1
52 1 9 1 "RMS(OBS, PRED)" H 23 0.520 1
53 1 9 1 "RMS(OBS, PRED)" HA 26 0.196 1
54 1 9 1 "RMS(OBS, PRED)" N 21 2.669 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 19 1.263 1
57 1 10 1 "RMS(OBS, PRED)" CB 20 1.442 1
58 1 10 1 "RMS(OBS, PRED)" H 23 0.488 1
59 1 10 1 "RMS(OBS, PRED)" HA 26 0.192 1
60 1 10 1 "RMS(OBS, PRED)" N 21 2.784 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 19 1.288 1
63 1 11 1 "RMS(OBS, PRED)" CB 20 1.449 1
64 1 11 1 "RMS(OBS, PRED)" H 23 0.569 1
65 1 11 1 "RMS(OBS, PRED)" HA 26 0.201 1
66 1 11 1 "RMS(OBS, PRED)" N 21 2.654 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 19 1.307 1
69 1 12 1 "RMS(OBS, PRED)" CB 20 1.577 1
70 1 12 1 "RMS(OBS, PRED)" H 23 0.488 1
71 1 12 1 "RMS(OBS, PRED)" HA 26 0.216 1
72 1 12 1 "RMS(OBS, PRED)" N 21 2.701 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 19 1.229 1
75 1 13 1 "RMS(OBS, PRED)" CB 20 1.278 1
76 1 13 1 "RMS(OBS, PRED)" H 23 0.470 1
77 1 13 1 "RMS(OBS, PRED)" HA 26 0.181 1
78 1 13 1 "RMS(OBS, PRED)" N 21 2.687 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 19 1.181 1
81 1 14 1 "RMS(OBS, PRED)" CB 20 1.513 1
82 1 14 1 "RMS(OBS, PRED)" H 23 0.461 1
83 1 14 1 "RMS(OBS, PRED)" HA 26 0.163 1
84 1 14 1 "RMS(OBS, PRED)" N 21 2.483 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 19 1.212 1
87 1 15 1 "RMS(OBS, PRED)" CB 20 1.430 1
88 1 15 1 "RMS(OBS, PRED)" H 23 0.481 1
89 1 15 1 "RMS(OBS, PRED)" HA 26 0.158 1
90 1 15 1 "RMS(OBS, PRED)" N 21 2.693 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 19 1.328 1
93 1 16 1 "RMS(OBS, PRED)" CB 20 1.493 1
94 1 16 1 "RMS(OBS, PRED)" H 23 0.425 1
95 1 16 1 "RMS(OBS, PRED)" HA 26 0.202 1
96 1 16 1 "RMS(OBS, PRED)" N 21 2.620 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 19 1.170 1
99 1 17 1 "RMS(OBS, PRED)" CB 20 1.576 1
100 1 17 1 "RMS(OBS, PRED)" H 23 0.453 1
101 1 17 1 "RMS(OBS, PRED)" HA 26 0.185 1
102 1 17 1 "RMS(OBS, PRED)" N 21 2.618 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 19 1.354 1
105 1 18 1 "RMS(OBS, PRED)" CB 20 1.469 1
106 1 18 1 "RMS(OBS, PRED)" H 23 0.443 1
107 1 18 1 "RMS(OBS, PRED)" HA 26 0.177 1
108 1 18 1 "RMS(OBS, PRED)" N 21 2.636 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 19 1.295 1
111 1 19 1 "RMS(OBS, PRED)" CB 20 1.493 1
112 1 19 1 "RMS(OBS, PRED)" H 23 0.536 1
113 1 19 1 "RMS(OBS, PRED)" HA 26 0.190 1
114 1 19 1 "RMS(OBS, PRED)" N 21 2.829 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 19 1.178 1
117 1 20 1 "RMS(OBS, PRED)" CB 20 1.442 1
118 1 20 1 "RMS(OBS, PRED)" H 23 0.481 1
119 1 20 1 "RMS(OBS, PRED)" HA 26 0.179 1
120 1 20 1 "RMS(OBS, PRED)" N 21 2.665 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 4 . 1 1 A 2 2 ALA H H 2 8.663 8.378 0.285 2
1 5 . 1 1 A 2 2 ALA HA H 2 4.329 4.212 0.117 2
1 9 . 1 1 A 2 2 ALA CA C 2 54.217 53.584 0.633 2
1 10 . 1 1 A 2 2 ALA CB C 2 18.718 19.990 -1.272 2
1 11 . 1 1 A 2 2 ALA N N 2 123.890 124.137 -0.247 2
1 12 . 1 1 A 3 3 TRP H H 3 8.289 8.310 -0.021 2
1 13 . 1 1 A 3 3 TRP HA H 3 4.629 4.438 0.191 2
1 22 . 1 1 A 3 3 TRP CB C 3 29.120 28.501 0.619 2
1 31 . 1 1 A 3 3 TRP N N 3 119.200 117.597 1.603 2
1 33 . 1 1 A 4 4 LYS H H 4 8.133 7.545 0.588 2
1 34 . 1 1 A 4 4 LYS HA H 4 4.160 3.934 0.226 2
1 46 . 1 1 A 4 4 LYS CA C 4 59.001 58.865 0.136 2
1 47 . 1 1 A 4 4 LYS CB C 4 32.524 31.089 1.435 2
1 51 . 1 1 A 5 5 ASN H H 5 8.141 7.913 0.228 2
1 52 . 1 1 A 5 5 ASN HA H 5 4.527 4.329 0.198 2
1 57 . 1 1 A 5 5 ASN CB C 5 37.852 39.054 -1.202 2
1 58 . 1 1 A 5 5 ASN N N 5 118.143 117.504 0.639 2
1 60 . 1 1 A 6 6 PHE H H 6 8.268 7.985 0.283 2
1 61 . 1 1 A 6 6 PHE HA H 6 4.233 4.159 0.074 2
1 69 . 1 1 A 6 6 PHE CA C 6 61.121 61.286 -0.165 2
1 70 . 1 1 A 6 6 PHE CB C 6 39.051 38.665 0.386 2
1 75 . 1 1 A 6 6 PHE N N 6 122.645 120.141 2.504 2
1 76 . 1 1 A 7 7 TRP H H 7 8.210 7.756 0.454 2
1 77 . 1 1 A 7 7 TRP HA H 7 4.218 4.365 -0.147 2
1 86 . 1 1 A 7 7 TRP CA C 7 57.537 60.665 -3.128 2
1 87 . 1 1 A 7 7 TRP CB C 7 29.031 29.027 0.004 2
1 94 . 1 1 A 7 7 TRP N N 7 119.652 119.458 0.194 2
1 96 . 1 1 A 8 8 SER H H 8 8.313 8.318 -0.005 2
1 97 . 1 1 A 8 8 SER HA H 8 4.211 4.175 0.036 2
1 100 . 1 1 A 8 8 SER CA C 8 60.128 61.807 -1.679 2
1 101 . 1 1 A 8 8 SER CB C 8 62.938 62.749 0.189 2
1 102 . 1 1 A 8 8 SER N N 8 113.442 116.127 -2.685 2
1 103 . 1 1 A 9 9 SER H H 9 7.864 7.710 0.154 2
1 104 . 1 1 A 9 9 SER HA H 9 4.255 4.140 0.115 2
1 107 . 1 1 A 9 9 SER CA C 9 61.797 62.132 -0.335 2
1 108 . 1 1 A 9 9 SER CB C 9 62.938 63.104 -0.166 2
1 109 . 1 1 A 9 9 SER N N 9 117.994 116.982 1.012 2
1 110 . 1 1 A 10 10 LEU H H 10 7.867 8.157 -0.290 2
1 111 . 1 1 A 10 10 LEU HA H 10 4.047 4.005 0.042 2
1 121 . 1 1 A 10 10 LEU CA C 10 57.592 58.192 -0.600 2
1 122 . 1 1 A 10 10 LEU CB C 10 41.896 41.635 0.261 2
1 126 . 1 1 A 10 10 LEU N N 10 124.116 121.250 2.866 2
1 127 . 1 1 A 11 11 ARG H H 11 7.975 8.344 -0.369 2
1 128 . 1 1 A 11 11 ARG HA H 11 4.051 4.043 0.008 2
1 136 . 1 1 A 11 11 ARG CA C 11 58.881 60.121 -1.240 2
1 137 . 1 1 A 11 11 ARG CB C 11 29.959 30.108 -0.149 2
1 140 . 1 1 A 11 11 ARG N N 11 118.035 118.917 -0.882 2
1 142 . 1 1 A 12 12 LYS H H 12 7.928 7.730 0.198 2
1 143 . 1 1 A 12 12 LYS HA H 12 4.161 4.124 0.037 2
1 155 . 1 1 A 12 12 LYS CA C 12 59.020 59.362 -0.342 2
1 156 . 1 1 A 12 12 LYS CB C 12 32.512 32.317 0.195 2
1 160 . 1 1 A 12 12 LYS N N 12 118.806 118.928 -0.122 2
1 161 . 1 1 A 13 13 GLY H H 13 8.079 7.995 0.084 2
1 162 . 1 1 A 13 13 GLY HA2 H 13 3.890 3.688 0.202 2
1 163 . 1 1 A 13 13 GLY HA3 H 13 3.890 3.712 0.178 2
1 164 . 1 1 A 13 13 GLY CA C 13 46.369 47.427 -1.058 2
1 165 . 1 1 A 13 13 GLY N N 13 106.212 107.915 -1.703 2
1 166 . 1 1 A 14 14 PHE H H 14 8.135 8.190 -0.055 2
1 167 . 1 1 A 14 14 PHE HA H 14 4.436 4.138 0.298 2
1 175 . 1 1 A 14 14 PHE CA C 14 60.182 60.658 -0.477 2
1 176 . 1 1 A 14 14 PHE CB C 14 39.096 39.203 -0.107 2
1 180 . 1 1 A 15 15 TYR H H 15 8.230 8.270 -0.040 2
1 181 . 1 1 A 15 15 TYR HA H 15 4.364 4.262 0.102 2
1 188 . 1 1 A 15 15 TYR CA C 15 60.249 60.581 -0.332 2
1 189 . 1 1 A 15 15 TYR CB C 15 38.313 38.631 -0.318 2
1 194 . 1 1 A 15 15 TYR N N 15 119.420 119.800 -0.380 2
1 195 . 1 1 A 16 16 ASP H H 16 8.516 7.618 0.898 2
1 196 . 1 1 A 16 16 ASP HA H 16 4.652 5.004 -0.352 2
1 199 . 1 1 A 16 16 ASP CB C 16 37.561 41.457 -3.896 2
1 200 . 1 1 A 16 16 ASP N N 16 118.037 119.040 -1.003 2
1 201 . 1 1 A 17 17 GLY H H 17 7.858 8.031 -0.173 2
1 202 . 1 1 A 17 17 GLY HA2 H 17 3.971 3.703 0.268 2
1 203 . 1 1 A 17 17 GLY HA3 H 17 3.971 3.859 0.112 2
1 204 . 1 1 A 17 17 GLY CA C 17 46.025 46.160 -0.135 2
1 205 . 1 1 A 17 17 GLY N N 17 107.457 108.627 -1.170 2
1 206 . 1 1 A 18 18 GLU H H 18 8.087 7.194 0.893 2
1 207 . 1 1 A 18 18 GLU HA H 18 4.215 4.057 0.158 2
1 212 . 1 1 A 18 18 GLU CB C 18 28.150 30.023 -1.873 2
1 214 . 1 1 A 18 18 GLU N N 18 119.806 121.237 -1.431 2
1 215 . 1 1 A 19 19 ALA H H 19 8.176 8.140 0.036 2
1 216 . 1 1 A 19 19 ALA HA H 19 4.154 4.113 0.041 2
1 220 . 1 1 A 19 19 ALA CA C 19 54.191 54.705 -0.514 2
1 221 . 1 1 A 19 19 ALA CB C 19 17.953 18.385 -0.432 2
1 222 . 1 1 A 19 19 ALA N N 19 122.201 122.206 -0.005 2
1 223 . 1 1 A 20 20 GLY H H 20 8.049 8.367 -0.318 2
1 224 . 1 1 A 20 20 GLY HA2 H 20 3.918 3.878 0.040 2
1 225 . 1 1 A 20 20 GLY HA3 H 20 3.918 3.901 0.017 2
1 226 . 1 1 A 20 20 GLY CA C 20 46.090 46.960 -0.870 2
1 227 . 1 1 A 20 20 GLY N N 20 104.575 105.631 -1.056 2
1 228 . 1 1 A 21 21 ARG H H 21 7.723 7.512 0.211 2
1 229 . 1 1 A 21 21 ARG HA H 21 4.289 4.202 0.087 2
1 237 . 1 1 A 21 21 ARG CA C 21 57.263 57.838 -0.575 2
1 238 . 1 1 A 21 21 ARG CB C 21 30.701 31.464 -0.763 2
1 241 . 1 1 A 21 21 ARG N N 21 119.035 120.835 -1.800 2
1 243 . 1 1 A 22 22 ALA H H 22 7.954 7.331 0.623 2
1 244 . 1 1 A 22 22 ALA HA H 22 4.321 4.538 -0.217 2
1 248 . 1 1 A 22 22 ALA CA C 22 53.247 51.825 1.422 2
1 249 . 1 1 A 22 22 ALA CB C 22 18.221 21.314 -3.093 2
1 250 . 1 1 A 22 22 ALA N N 22 122.098 118.066 4.032 2
1 251 . 1 1 A 23 23 ILE H H 23 7.705 8.735 -1.030 2
1 252 . 1 1 A 23 23 ILE HA H 23 4.162 4.048 0.114 2
1 262 . 1 1 A 23 23 ILE CA C 23 61.798 63.549 -1.751 2
1 263 . 1 1 A 23 23 ILE CB C 23 38.823 38.427 0.396 2
1 267 . 1 1 A 23 23 ILE N N 23 117.111 124.442 -7.331 2
1 268 . 1 1 A 24 24 ARG H H 24 7.926 7.942 -0.016 2
1 269 . 1 1 A 24 24 ARG HA H 24 4.407 4.511 -0.104 2
1 277 . 1 1 A 24 24 ARG CA C 24 55.977 56.100 -0.123 2
1 278 . 1 1 A 24 24 ARG CB C 24 30.582 31.534 -0.952 2
1 281 . 1 1 A 24 24 ARG N N 24 122.716 118.150 4.566 2
stop_
save_