data_15560_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15560
_Entry.PDB_ID 2IN8
_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 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 7 . 1 1 1 A 2 2 LEU H H 2 9.080 8.997 0.083 1
1 8 . 1 1 1 A 2 2 LEU HA H 2 5.030 5.033 -0.003 1
1 18 . 1 1 1 A 2 2 LEU C C 2 176.700 176.533 0.167 1
1 19 . 1 1 1 A 2 2 LEU CA C 2 54.030 53.605 0.425 1
1 20 . 1 1 1 A 2 2 LEU CB C 2 44.360 43.719 0.641 1
1 24 . 1 1 1 A 2 2 LEU N N 2 122.570 123.262 -0.692 1
1 25 . 1 1 1 A 3 3 ALA H H 3 8.180 8.791 -0.611 1
1 26 . 1 1 1 A 3 3 ALA HA H 3 4.700 4.510 0.190 1
1 30 . 1 1 1 A 3 3 ALA C C 3 178.150 177.262 0.888 1
1 31 . 1 1 1 A 3 3 ALA CA C 3 53.240 52.335 0.905 1
1 32 . 1 1 1 A 3 3 ALA CB C 3 22.400 19.151 3.249 1
1 33 . 1 1 1 A 3 3 ALA N N 3 121.290 127.102 -5.812 1
1 34 . 1 1 1 A 4 4 GLU H H 4 8.770 8.969 -0.199 1
1 35 . 1 1 1 A 4 4 GLU HA H 4 4.070 4.107 -0.037 1
1 40 . 1 1 1 A 4 4 GLU C C 4 175.150 177.410 -2.260 1
1 41 . 1 1 1 A 4 4 GLU CA C 4 57.810 58.584 -0.774 1
1 42 . 1 1 1 A 4 4 GLU CB C 4 31.010 29.515 1.495 1
1 44 . 1 1 1 A 4 4 GLU N N 4 121.260 121.810 -0.550 1
1 45 . 1 1 1 A 5 5 GLY H H 5 11.320 9.211 2.109 1
1 46 . 1 1 1 A 5 5 GLY HA2 H 5 4.500 4.190 0.310 1
1 47 . 1 1 1 A 5 5 GLY HA3 H 5 3.670 4.190 -0.520 1
1 48 . 1 1 1 A 5 5 GLY C C 5 174.560 174.546 0.014 1
1 49 . 1 1 1 A 5 5 GLY CA C 5 44.700 45.089 -0.389 1
1 50 . 1 1 1 A 5 5 GLY N N 5 120.060 115.393 4.667 1
1 51 . 1 1 1 A 6 6 THR H H 6 7.940 7.893 0.047 1
1 52 . 1 1 1 A 6 6 THR HA H 6 4.300 4.328 -0.028 1
1 57 . 1 1 1 A 6 6 THR C C 6 174.400 174.001 0.399 1
1 58 . 1 1 1 A 6 6 THR CA C 6 65.810 63.802 2.008 1
1 59 . 1 1 1 A 6 6 THR CB C 6 68.910 69.296 -0.386 1
1 61 . 1 1 1 A 6 6 THR N N 6 117.120 117.187 -0.067 1
1 62 . 1 1 1 A 7 7 ARG H H 7 9.570 8.664 0.906 1
1 63 . 1 1 1 A 7 7 ARG HA H 7 4.860 4.926 -0.066 1
1 70 . 1 1 1 A 7 7 ARG C C 7 176.360 175.595 0.765 1
1 71 . 1 1 1 A 7 7 ARG CA C 7 56.390 56.019 0.371 1
1 72 . 1 1 1 A 7 7 ARG CB C 7 31.140 31.610 -0.470 1
1 75 . 1 1 1 A 7 7 ARG N N 7 130.220 127.415 2.805 1
1 76 . 1 1 1 A 8 8 ILE H H 8 9.600 9.240 0.360 1
1 77 . 1 1 1 A 8 8 ILE HA H 8 4.520 4.942 -0.422 1
1 87 . 1 1 1 A 8 8 ILE C C 8 174.350 174.542 -0.192 1
1 88 . 1 1 1 A 8 8 ILE CA C 8 59.830 60.262 -0.432 1
1 89 . 1 1 1 A 8 8 ILE CB C 8 41.020 40.579 0.441 1
1 93 . 1 1 1 A 8 8 ILE N N 8 123.840 123.757 0.083 1
1 94 . 1 1 1 A 9 9 PHE H H 9 8.190 9.228 -1.038 1
1 95 . 1 1 1 A 9 9 PHE HA H 9 4.830 4.925 -0.095 1
1 103 . 1 1 1 A 9 9 PHE C C 9 172.880 173.651 -0.771 1
1 104 . 1 1 1 A 9 9 PHE CA C 9 57.500 57.416 0.084 1
1 105 . 1 1 1 A 9 9 PHE CB C 9 41.000 40.107 0.893 1
1 110 . 1 1 1 A 9 9 PHE N N 9 129.240 129.133 0.107 1
1 111 . 1 1 1 A 10 10 ASP H H 10 8.290 8.771 -0.481 1
1 112 . 1 1 1 A 10 10 ASP HA H 10 5.530 5.263 0.267 1
1 115 . 1 1 1 A 10 10 ASP CA C 10 49.700 49.834 -0.134 1
1 116 . 1 1 1 A 10 10 ASP CB C 10 43.510 42.108 1.402 1
1 117 . 1 1 1 A 10 10 ASP N N 10 128.170 127.974 0.196 1
1 118 . 1 1 1 A 11 11 PRO HA H 11 3.960 4.625 -0.665 1
1 125 . 1 1 1 A 11 11 PRO C C 11 178.270 177.561 0.709 1
1 126 . 1 1 1 A 11 11 PRO CA C 11 62.560 64.057 -1.497 1
1 127 . 1 1 1 A 11 11 PRO CB C 11 31.390 32.002 -0.612 1
1 130 . 1 1 1 A 12 12 VAL H H 12 8.960 7.556 1.404 1
1 131 . 1 1 1 A 12 12 VAL HA H 12 3.650 4.064 -0.414 1
1 139 . 1 1 1 A 12 12 VAL C C 12 177.900 177.536 0.364 1
1 140 . 1 1 1 A 12 12 VAL CA C 12 65.070 64.963 0.107 1
1 141 . 1 1 1 A 12 12 VAL CB C 12 30.860 31.674 -0.814 1
1 144 . 1 1 1 A 12 12 VAL N N 12 124.140 116.876 7.264 1
1 145 . 1 1 1 A 13 13 THR H H 13 7.130 8.094 -0.964 1
1 146 . 1 1 1 A 13 13 THR HA H 13 4.230 4.650 -0.420 1
1 151 . 1 1 1 A 13 13 THR C C 13 176.720 176.236 0.484 1
1 152 . 1 1 1 A 13 13 THR CA C 13 61.450 62.326 -0.876 1
1 153 . 1 1 1 A 13 13 THR CB C 13 69.980 70.605 -0.625 1
1 155 . 1 1 1 A 13 13 THR N N 13 107.140 108.090 -0.950 1
1 156 . 1 1 1 A 14 14 GLY H H 14 8.390 8.471 -0.081 1
1 157 . 1 1 1 A 14 14 GLY HA2 H 14 4.060 4.136 -0.076 1
1 158 . 1 1 1 A 14 14 GLY HA3 H 14 3.620 4.136 -0.516 1
1 159 . 1 1 1 A 14 14 GLY C C 14 174.490 174.535 -0.045 1
1 160 . 1 1 1 A 14 14 GLY CA C 14 46.190 45.616 0.574 1
1 161 . 1 1 1 A 14 14 GLY N N 14 112.900 111.710 1.190 1
1 162 . 1 1 1 A 15 15 THR H H 15 7.660 8.152 -0.492 1
1 163 . 1 1 1 A 15 15 THR HA H 15 4.290 4.508 -0.218 1
1 168 . 1 1 1 A 15 15 THR C C 15 172.330 173.898 -1.568 1
1 169 . 1 1 1 A 15 15 THR CA C 15 62.060 62.531 -0.471 1
1 170 . 1 1 1 A 15 15 THR CB C 15 70.690 69.745 0.945 1
1 172 . 1 1 1 A 15 15 THR N N 15 117.100 117.335 -0.235 1
1 173 . 1 1 1 A 16 16 THR H H 16 8.520 8.966 -0.446 1
1 174 . 1 1 1 A 16 16 THR HA H 16 4.920 5.117 -0.197 1
1 179 . 1 1 1 A 16 16 THR C C 16 173.350 173.952 -0.602 1
1 180 . 1 1 1 A 16 16 THR CA C 16 62.790 61.738 1.052 1
1 181 . 1 1 1 A 16 16 THR CB C 16 69.280 70.175 -0.895 1
1 183 . 1 1 1 A 16 16 THR N N 16 120.300 121.498 -1.198 1
1 184 . 1 1 1 A 17 17 HIS H H 17 9.010 9.415 -0.405 1
1 185 . 1 1 1 A 17 17 HIS HA H 17 4.590 5.446 -0.856 1
1 190 . 1 1 1 A 17 17 HIS C C 17 175.520 175.153 0.367 1
1 191 . 1 1 1 A 17 17 HIS CA C 17 55.070 54.036 1.034 1
1 192 . 1 1 1 A 17 17 HIS CB C 17 35.800 32.413 3.387 1
1 194 . 1 1 1 A 17 17 HIS N N 17 126.890 124.776 2.114 1
1 197 . 1 1 1 A 18 18 ARG H H 18 9.380 9.153 0.227 1
1 198 . 1 1 1 A 18 18 ARG HA H 18 4.700 4.511 0.189 1
1 205 . 1 1 1 A 18 18 ARG C C 18 180.170 177.382 2.788 1
1 206 . 1 1 1 A 18 18 ARG CA C 18 55.220 55.953 -0.733 1
1 207 . 1 1 1 A 18 18 ARG CB C 18 30.300 31.055 -0.755 1
1 210 . 1 1 1 A 18 18 ARG N N 18 120.920 121.223 -0.303 1
1 211 . 1 1 1 A 19 19 ILE H H 19 9.020 8.914 0.106 1
1 212 . 1 1 1 A 19 19 ILE HA H 19 3.700 4.156 -0.456 1
1 222 . 1 1 1 A 19 19 ILE C C 19 174.330 177.164 -2.834 1
1 223 . 1 1 1 A 19 19 ILE CA C 19 66.700 63.639 3.061 1
1 224 . 1 1 1 A 19 19 ILE CB C 19 38.290 38.064 0.226 1
1 228 . 1 1 1 A 19 19 ILE N N 19 125.320 126.129 -0.809 1
1 229 . 1 1 1 A 20 20 GLU H H 20 10.880 9.327 1.553 1
1 230 . 1 1 1 A 20 20 GLU HA H 20 2.790 4.301 -1.511 1
1 235 . 1 1 1 A 20 20 GLU C C 20 178.680 177.751 0.929 1
1 236 . 1 1 1 A 20 20 GLU CA C 20 58.190 57.813 0.377 1
1 237 . 1 1 1 A 20 20 GLU CB C 20 28.340 27.171 1.169 1
1 239 . 1 1 1 A 20 20 GLU N N 20 123.840 119.139 4.701 1
1 240 . 1 1 1 A 21 21 ASP H H 21 7.310 8.227 -0.917 1
1 241 . 1 1 1 A 21 21 ASP HA H 21 4.520 4.721 -0.201 1
1 244 . 1 1 1 A 21 21 ASP C C 21 178.990 178.723 0.267 1
1 245 . 1 1 1 A 21 21 ASP CA C 21 56.220 56.663 -0.443 1
1 246 . 1 1 1 A 21 21 ASP CB C 21 40.460 40.891 -0.431 1
1 247 . 1 1 1 A 21 21 ASP N N 21 124.470 120.241 4.229 1
1 248 . 1 1 1 A 22 22 VAL H H 22 7.440 8.244 -0.804 1
1 249 . 1 1 1 A 22 22 VAL HA H 22 3.300 3.837 -0.537 1
1 257 . 1 1 1 A 22 22 VAL C C 22 177.540 178.533 -0.993 1
1 258 . 1 1 1 A 22 22 VAL CA C 22 66.560 66.456 0.104 1
1 259 . 1 1 1 A 22 22 VAL CB C 22 31.890 31.636 0.254 1
1 262 . 1 1 1 A 22 22 VAL N N 22 121.860 120.724 1.136 1
1 263 . 1 1 1 A 23 23 VAL H H 23 8.350 8.205 0.145 1
1 264 . 1 1 1 A 23 23 VAL HA H 23 3.930 3.920 0.010 1
1 272 . 1 1 1 A 23 23 VAL C C 23 179.080 178.340 0.740 1
1 273 . 1 1 1 A 23 23 VAL CA C 23 66.980 66.418 0.562 1
1 274 . 1 1 1 A 23 23 VAL CB C 23 32.130 31.841 0.289 1
1 277 . 1 1 1 A 23 23 VAL N N 23 116.730 120.764 -4.034 1
1 278 . 1 1 1 A 24 24 GLY H H 24 8.330 8.446 -0.116 1
1 279 . 1 1 1 A 24 24 GLY HA2 H 24 3.990 4.101 -0.111 1
1 280 . 1 1 1 A 24 24 GLY HA3 H 24 3.760 4.101 -0.341 1
1 281 . 1 1 1 A 24 24 GLY C C 24 175.050 175.270 -0.220 1
1 282 . 1 1 1 A 24 24 GLY CA C 24 47.090 47.162 -0.072 1
1 283 . 1 1 1 A 24 24 GLY N N 24 108.170 108.221 -0.051 1
1 284 . 1 1 1 A 25 25 GLY H H 25 7.340 8.139 -0.799 1
1 285 . 1 1 1 A 25 25 GLY HA2 H 25 4.240 4.220 0.020 1
1 286 . 1 1 1 A 25 25 GLY HA3 H 25 3.170 4.220 -1.050 1
1 287 . 1 1 1 A 25 25 GLY C C 25 172.430 172.993 -0.563 1
1 288 . 1 1 1 A 25 25 GLY CA C 25 44.280 44.891 -0.611 1
1 289 . 1 1 1 A 25 25 GLY N N 25 103.760 107.993 -4.233 1
1 290 . 1 1 1 A 26 26 ARG H H 26 7.290 8.036 -0.746 1
1 291 . 1 1 1 A 26 26 ARG HA H 26 1.520 4.067 -2.547 1
1 299 . 1 1 1 A 26 26 ARG C C 26 174.600 174.471 0.129 1
1 300 . 1 1 1 A 26 26 ARG CA C 26 55.680 55.952 -0.272 1
1 301 . 1 1 1 A 26 26 ARG CB C 26 27.360 26.525 0.835 1
1 304 . 1 1 1 A 26 26 ARG N N 26 122.130 115.621 6.509 1
1 306 . 1 1 1 A 27 27 LYS H H 27 8.040 8.243 -0.203 1
1 307 . 1 1 1 A 27 27 LYS HA H 27 4.150 4.637 -0.487 1
1 308 . 1 1 1 A 27 27 LYS CA C 27 55.300 53.814 1.486 1
1 309 . 1 1 1 A 27 27 LYS CB C 27 33.340 32.442 0.898 1
1 310 . 1 1 1 A 27 27 LYS N N 27 115.800 119.595 -3.795 1
1 311 . 1 1 1 A 28 28 PRO HA H 28 5.130 4.878 0.252 1
1 318 . 1 1 1 A 28 28 PRO C C 28 176.420 175.679 0.741 1
1 319 . 1 1 1 A 28 28 PRO CA C 28 62.240 62.778 -0.538 1
1 320 . 1 1 1 A 28 28 PRO CB C 28 28.160 29.123 -0.963 1
1 323 . 1 1 1 A 29 29 ILE H H 29 7.560 7.967 -0.407 1
1 324 . 1 1 1 A 29 29 ILE HA H 29 4.430 4.500 -0.070 1
1 334 . 1 1 1 A 29 29 ILE C C 29 175.220 175.528 -0.308 1
1 335 . 1 1 1 A 29 29 ILE CA C 29 61.380 59.617 1.763 1
1 336 . 1 1 1 A 29 29 ILE CB C 29 39.000 39.248 -0.248 1
1 340 . 1 1 1 A 29 29 ILE N N 29 116.630 119.363 -2.733 1
1 341 . 1 1 1 A 30 30 HIS H H 30 8.280 9.233 -0.953 1
1 342 . 1 1 1 A 30 30 HIS HA H 30 5.150 5.626 -0.476 1
1 347 . 1 1 1 A 30 30 HIS C C 30 172.520 174.485 -1.965 1
1 348 . 1 1 1 A 30 30 HIS CA C 30 56.370 54.510 1.860 1
1 349 . 1 1 1 A 30 30 HIS CB C 30 31.520 32.444 -0.924 1
1 350 . 1 1 1 A 30 30 HIS N N 30 117.970 119.768 -1.798 1
1 352 . 1 1 1 A 31 31 VAL H H 31 8.630 8.872 -0.242 1
1 353 . 1 1 1 A 31 31 VAL HA H 31 5.210 5.035 0.175 1
1 361 . 1 1 1 A 31 31 VAL C C 31 176.360 174.556 1.804 1
1 362 . 1 1 1 A 31 31 VAL CA C 31 58.070 59.157 -1.087 1
1 363 . 1 1 1 A 31 31 VAL CB C 31 34.630 35.989 -1.359 1
1 366 . 1 1 1 A 31 31 VAL N N 31 107.440 115.195 -7.755 1
1 367 . 1 1 1 A 32 32 VAL H H 32 8.830 8.952 -0.122 1
1 368 . 1 1 1 A 32 32 VAL HA H 32 4.240 4.725 -0.485 1
1 376 . 1 1 1 A 32 32 VAL C C 32 173.140 175.201 -2.061 1
1 377 . 1 1 1 A 32 32 VAL CA C 32 62.960 61.860 1.100 1
1 378 . 1 1 1 A 32 32 VAL CB C 32 30.760 32.431 -1.671 1
1 381 . 1 1 1 A 32 32 VAL N N 32 119.980 122.600 -2.620 1
1 382 . 1 1 1 A 33 33 ALA H H 33 9.260 9.384 -0.124 1
1 383 . 1 1 1 A 33 33 ALA HA H 33 4.510 5.416 -0.906 1
1 387 . 1 1 1 A 33 33 ALA C C 33 175.460 175.720 -0.260 1
1 388 . 1 1 1 A 33 33 ALA CA C 33 50.190 50.102 0.088 1
1 389 . 1 1 1 A 33 33 ALA CB C 33 24.440 22.988 1.452 1
1 390 . 1 1 1 A 33 33 ALA N N 33 129.010 130.391 -1.381 1
1 391 . 1 1 1 A 34 34 ALA H H 34 8.150 8.930 -0.780 1
1 392 . 1 1 1 A 34 34 ALA HA H 34 5.210 5.486 -0.276 1
1 396 . 1 1 1 A 34 34 ALA C C 34 177.900 177.336 0.564 1
1 397 . 1 1 1 A 34 34 ALA CA C 34 50.360 50.331 0.029 1
1 398 . 1 1 1 A 34 34 ALA CB C 34 21.960 21.232 0.728 1
1 399 . 1 1 1 A 34 34 ALA N N 34 121.270 122.643 -1.373 1
1 400 . 1 1 1 A 35 35 ALA H H 35 9.110 8.743 0.367 1
1 401 . 1 1 1 A 35 35 ALA HA H 35 4.630 4.818 -0.188 1
1 405 . 1 1 1 A 35 35 ALA C C 35 179.120 177.828 1.292 1
1 406 . 1 1 1 A 35 35 ALA CA C 35 50.560 50.952 -0.392 1
1 407 . 1 1 1 A 35 35 ALA CB C 35 20.620 20.263 0.357 1
1 408 . 1 1 1 A 35 35 ALA N N 35 125.930 124.919 1.011 1
1 409 . 1 1 1 A 36 36 LYS H H 36 8.990 9.171 -0.181 1
1 410 . 1 1 1 A 36 36 LYS HA H 36 4.210 4.226 -0.016 1
1 419 . 1 1 1 A 36 36 LYS C C 36 176.840 178.490 -1.650 1
1 420 . 1 1 1 A 36 36 LYS CA C 36 59.500 59.337 0.163 1
1 421 . 1 1 1 A 36 36 LYS CB C 36 32.260 32.816 -0.556 1
1 425 . 1 1 1 A 36 36 LYS N N 36 121.160 118.963 2.197 1
1 426 . 1 1 1 A 37 37 ASP H H 37 7.770 8.171 -0.401 1
1 427 . 1 1 1 A 37 37 ASP HA H 37 4.530 4.742 -0.212 1
1 430 . 1 1 1 A 37 37 ASP C C 37 177.040 177.220 -0.180 1
1 431 . 1 1 1 A 37 37 ASP CA C 37 53.330 53.396 -0.066 1
1 432 . 1 1 1 A 37 37 ASP CB C 37 40.100 39.703 0.397 1
1 433 . 1 1 1 A 37 37 ASP N N 37 115.880 115.342 0.538 1
1 434 . 1 1 1 A 38 38 GLY H H 38 8.150 8.297 -0.147 1
1 435 . 1 1 1 A 38 38 GLY HA2 H 38 4.180 4.203 -0.023 1
1 436 . 1 1 1 A 38 38 GLY HA3 H 38 3.390 4.203 -0.813 1
1 437 . 1 1 1 A 38 38 GLY C C 38 173.410 174.342 -0.932 1
1 438 . 1 1 1 A 38 38 GLY CA C 38 45.460 46.332 -0.872 1
1 439 . 1 1 1 A 38 38 GLY N N 38 107.710 109.380 -1.670 1
1 440 . 1 1 1 A 39 39 THR H H 39 7.700 8.038 -0.338 1
1 441 . 1 1 1 A 39 39 THR HA H 39 4.280 4.971 -0.691 1
1 446 . 1 1 1 A 39 39 THR C C 39 173.530 173.609 -0.079 1
1 447 . 1 1 1 A 39 39 THR CA C 39 61.560 60.106 1.454 1
1 448 . 1 1 1 A 39 39 THR CB C 39 70.590 71.613 -1.023 1
1 450 . 1 1 1 A 39 39 THR N N 39 110.420 112.415 -1.995 1
1 451 . 1 1 1 A 40 40 LEU H H 40 8.240 8.707 -0.467 1
1 452 . 1 1 1 A 40 40 LEU HA H 40 5.330 5.358 -0.028 1
1 462 . 1 1 1 A 40 40 LEU C C 40 177.230 175.420 1.810 1
1 463 . 1 1 1 A 40 40 LEU CA C 40 53.800 53.783 0.017 1
1 464 . 1 1 1 A 40 40 LEU CB C 40 42.340 43.730 -1.390 1
1 468 . 1 1 1 A 40 40 LEU N N 40 120.860 123.935 -3.075 1
1 469 . 1 1 1 A 41 41 HIS H H 41 9.260 9.161 0.099 1
1 470 . 1 1 1 A 41 41 HIS HA H 41 4.640 5.294 -0.654 1
1 475 . 1 1 1 A 41 41 HIS C C 41 173.970 174.002 -0.032 1
1 476 . 1 1 1 A 41 41 HIS CA C 41 55.290 54.541 0.749 1
1 477 . 1 1 1 A 41 41 HIS CB C 41 35.790 33.719 2.071 1
1 479 . 1 1 1 A 41 41 HIS N N 41 120.160 120.609 -0.449 1
1 482 . 1 1 1 A 42 42 ALA H H 42 9.120 8.680 0.440 1
1 483 . 1 1 1 A 42 42 ALA HA H 42 5.520 5.159 0.361 1
1 487 . 1 1 1 A 42 42 ALA C C 42 179.680 176.992 2.688 1
1 488 . 1 1 1 A 42 42 ALA CA C 42 51.460 50.831 0.629 1
1 489 . 1 1 1 A 42 42 ALA CB C 42 19.390 20.497 -1.107 1
1 490 . 1 1 1 A 42 42 ALA N N 42 125.210 124.453 0.757 1
1 491 . 1 1 1 A 43 43 ARG H H 43 9.010 8.995 0.015 1
1 492 . 1 1 1 A 43 43 ARG HA H 43 5.170 5.024 0.146 1
1 499 . 1 1 1 A 43 43 ARG CA C 43 51.420 52.686 -1.266 1
1 500 . 1 1 1 A 43 43 ARG CB C 43 35.960 32.584 3.376 1
1 503 . 1 1 1 A 43 43 ARG N N 43 124.400 123.070 1.330 1
1 504 . 1 1 1 A 44 44 PRO HA H 44 4.530 4.994 -0.464 1
1 511 . 1 1 1 A 44 44 PRO C C 44 175.320 175.504 -0.184 1
1 512 . 1 1 1 A 44 44 PRO CA C 44 62.310 61.736 0.574 1
1 513 . 1 1 1 A 44 44 PRO CB C 44 32.330 32.118 0.212 1
1 516 . 1 1 1 A 45 45 VAL H H 45 7.780 9.095 -1.315 1
1 517 . 1 1 1 A 45 45 VAL HA H 45 4.200 4.374 -0.174 1
1 525 . 1 1 1 A 45 45 VAL C C 45 176.170 176.382 -0.212 1
1 526 . 1 1 1 A 45 45 VAL CA C 45 62.330 61.774 0.556 1
1 527 . 1 1 1 A 45 45 VAL CB C 45 32.450 31.758 0.692 1
1 530 . 1 1 1 A 45 45 VAL N N 45 119.100 121.225 -2.125 1
1 531 . 1 1 1 A 46 46 VAL H H 46 8.210 9.061 -0.851 1
1 532 . 1 1 1 A 46 46 VAL HA H 46 4.110 4.614 -0.504 1
1 540 . 1 1 1 A 46 46 VAL C C 46 175.440 175.217 0.223 1
1 541 . 1 1 1 A 46 46 VAL CA C 46 60.180 61.635 -1.455 1
1 542 . 1 1 1 A 46 46 VAL CB C 46 33.760 33.034 0.726 1
1 545 . 1 1 1 A 46 46 VAL N N 46 114.680 120.878 -6.198 1
1 546 . 1 1 1 A 47 47 SER H H 47 6.480 8.087 -1.607 1
1 547 . 1 1 1 A 47 47 SER HA H 47 3.960 5.298 -1.338 1
1 550 . 1 1 1 A 47 47 SER C C 47 170.790 171.402 -0.612 1
1 551 . 1 1 1 A 47 47 SER CA C 47 57.520 57.003 0.517 1
1 552 . 1 1 1 A 47 47 SER CB C 47 65.760 66.565 -0.805 1
1 553 . 1 1 1 A 47 47 SER N N 47 113.390 114.911 -1.521 1
1 554 . 1 1 1 A 48 48 TRP H H 48 7.640 8.823 -1.183 1
1 555 . 1 1 1 A 48 48 TRP HA H 48 4.500 5.357 -0.857 1
1 564 . 1 1 1 A 48 48 TRP C C 48 173.970 175.420 -1.450 1
1 565 . 1 1 1 A 48 48 TRP CA C 48 58.670 55.727 2.943 1
1 566 . 1 1 1 A 48 48 TRP CB C 48 32.910 32.963 -0.053 1
1 572 . 1 1 1 A 48 48 TRP N N 48 120.890 122.235 -1.345 1
1 574 . 1 1 1 A 49 49 PHE H H 49 8.900 9.285 -0.385 1
1 575 . 1 1 1 A 49 49 PHE HA H 49 5.170 5.234 -0.064 1
1 583 . 1 1 1 A 49 49 PHE C C 49 174.440 174.217 0.223 1
1 584 . 1 1 1 A 49 49 PHE CA C 49 56.180 55.925 0.255 1
1 585 . 1 1 1 A 49 49 PHE CB C 49 41.650 42.146 -0.496 1
1 590 . 1 1 1 A 49 49 PHE N N 49 120.400 122.013 -1.613 1
1 591 . 1 1 1 A 50 50 ASP H H 50 9.090 8.965 0.125 1
1 592 . 1 1 1 A 50 50 ASP HA H 50 4.830 4.952 -0.122 1
1 595 . 1 1 1 A 50 50 ASP C C 50 176.870 176.548 0.322 1
1 596 . 1 1 1 A 50 50 ASP CA C 50 54.010 53.197 0.813 1
1 597 . 1 1 1 A 50 50 ASP CB C 50 41.200 40.912 0.288 1
1 598 . 1 1 1 A 50 50 ASP N N 50 127.480 124.296 3.184 1
1 599 . 1 1 1 A 51 51 GLN H H 51 8.030 9.099 -1.069 1
1 600 . 1 1 1 A 51 51 GLN HA H 51 4.790 4.696 0.094 1
1 607 . 1 1 1 A 51 51 GLN C C 51 176.680 176.114 0.566 1
1 608 . 1 1 1 A 51 51 GLN CA C 51 55.340 55.431 -0.091 1
1 609 . 1 1 1 A 51 51 GLN CB C 51 28.800 28.953 -0.153 1
1 611 . 1 1 1 A 51 51 GLN N N 51 123.540 123.585 -0.045 1
1 613 . 1 1 1 A 52 52 GLY H H 52 8.040 8.194 -0.154 1
1 614 . 1 1 1 A 52 52 GLY HA2 H 52 4.150 4.306 -0.156 1
1 615 . 1 1 1 A 52 52 GLY HA3 H 52 3.840 4.306 -0.466 1
1 616 . 1 1 1 A 52 52 GLY C C 52 173.990 173.172 0.818 1
1 617 . 1 1 1 A 52 52 GLY CA C 52 44.720 44.563 0.157 1
1 618 . 1 1 1 A 52 52 GLY N N 52 108.530 107.657 0.873 1
1 619 . 1 1 1 A 53 53 THR H H 53 8.620 8.579 0.041 1
1 620 . 1 1 1 A 53 53 THR HA H 53 4.730 4.959 -0.229 1
1 625 . 1 1 1 A 53 53 THR C C 53 174.680 174.163 0.517 1
1 626 . 1 1 1 A 53 53 THR CA C 53 63.240 63.061 0.179 1
1 627 . 1 1 1 A 53 53 THR CB C 53 68.480 69.572 -1.092 1
1 629 . 1 1 1 A 53 53 THR N N 53 119.100 115.739 3.361 1
1 630 . 1 1 1 A 54 54 ARG H H 54 8.880 8.899 -0.019 1
1 631 . 1 1 1 A 54 54 ARG HA H 54 4.650 5.105 -0.455 1
1 638 . 1 1 1 A 54 54 ARG C C 54 174.120 175.291 -1.171 1
1 639 . 1 1 1 A 54 54 ARG CA C 54 54.530 54.079 0.451 1
1 640 . 1 1 1 A 54 54 ARG CB C 54 36.140 34.724 1.416 1
1 643 . 1 1 1 A 54 54 ARG N N 54 126.070 123.580 2.490 1
1 644 . 1 1 1 A 55 55 ASP H H 55 8.020 8.577 -0.557 1
1 645 . 1 1 1 A 55 55 ASP HA H 55 4.970 5.243 -0.273 1
1 648 . 1 1 1 A 55 55 ASP C C 55 176.600 176.097 0.503 1
1 649 . 1 1 1 A 55 55 ASP CA C 55 54.770 54.169 0.601 1
1 650 . 1 1 1 A 55 55 ASP CB C 55 41.190 41.293 -0.103 1
1 651 . 1 1 1 A 55 55 ASP N N 55 119.740 120.881 -1.141 1
1 652 . 1 1 1 A 56 56 VAL H H 56 9.490 9.122 0.368 1
1 653 . 1 1 1 A 56 56 VAL HA H 56 4.830 5.111 -0.281 1
1 661 . 1 1 1 A 56 56 VAL C C 56 173.940 175.589 -1.649 1
1 662 . 1 1 1 A 56 56 VAL CA C 56 59.350 60.064 -0.714 1
1 663 . 1 1 1 A 56 56 VAL CB C 56 35.270 34.855 0.415 1
1 666 . 1 1 1 A 56 56 VAL N N 56 114.580 117.463 -2.883 1
1 667 . 1 1 1 A 57 57 ILE H H 57 8.950 9.064 -0.114 1
1 668 . 1 1 1 A 57 57 ILE HA H 57 4.720 5.106 -0.386 1
1 678 . 1 1 1 A 57 57 ILE C C 57 174.290 174.732 -0.442 1
1 679 . 1 1 1 A 57 57 ILE CA C 57 59.480 59.478 0.002 1
1 680 . 1 1 1 A 57 57 ILE CB C 57 41.740 39.880 1.860 1
1 684 . 1 1 1 A 57 57 ILE N N 57 115.070 123.396 -8.326 1
1 685 . 1 1 1 A 58 58 GLY H H 58 6.750 8.900 -2.150 1
1 686 . 1 1 1 A 58 58 GLY HA2 H 58 4.400 4.466 -0.066 1
1 687 . 1 1 1 A 58 58 GLY HA3 H 58 1.260 4.466 -3.206 1
1 688 . 1 1 1 A 58 58 GLY C C 58 171.920 171.456 0.464 1
1 689 . 1 1 1 A 58 58 GLY CA C 58 43.460 43.773 -0.313 1
1 690 . 1 1 1 A 58 58 GLY N N 58 107.520 109.307 -1.787 1
1 691 . 1 1 1 A 59 59 LEU H H 59 8.850 9.611 -0.761 1
1 692 . 1 1 1 A 59 59 LEU HA H 59 4.680 5.102 -0.422 1
1 702 . 1 1 1 A 59 59 LEU C C 59 173.880 174.662 -0.782 1
1 703 . 1 1 1 A 59 59 LEU CA C 59 52.770 53.649 -0.879 1
1 704 . 1 1 1 A 59 59 LEU CB C 59 43.110 42.954 0.156 1
1 708 . 1 1 1 A 59 59 LEU N N 59 124.220 125.470 -1.250 1
1 709 . 1 1 1 A 60 60 ARG H H 60 8.650 9.106 -0.456 1
1 710 . 1 1 1 A 60 60 ARG HA H 60 4.800 5.076 -0.276 1
1 717 . 1 1 1 A 60 60 ARG C C 60 175.200 175.354 -0.154 1
1 718 . 1 1 1 A 60 60 ARG CA C 60 55.450 55.390 0.060 1
1 719 . 1 1 1 A 60 60 ARG CB C 60 31.910 31.278 0.632 1
1 722 . 1 1 1 A 60 60 ARG N N 60 124.310 125.272 -0.962 1
1 723 . 1 1 1 A 61 61 ILE H H 61 8.930 9.074 -0.144 1
1 724 . 1 1 1 A 61 61 ILE HA H 61 4.480 4.808 -0.328 1
1 734 . 1 1 1 A 61 61 ILE C C 61 176.490 175.562 0.928 1
1 735 . 1 1 1 A 61 61 ILE CA C 61 59.310 59.714 -0.404 1
1 736 . 1 1 1 A 61 61 ILE CB C 61 38.480 39.712 -1.232 1
1 740 . 1 1 1 A 61 61 ILE N N 61 128.290 128.773 -0.483 1
1 741 . 1 1 1 A 62 62 ALA H H 62 8.530 8.728 -0.198 1
1 742 . 1 1 1 A 62 62 ALA HA H 62 4.110 4.203 -0.093 1
1 746 . 1 1 1 A 62 62 ALA CA C 62 54.530 53.854 0.676 1
1 747 . 1 1 1 A 62 62 ALA CB C 62 18.450 18.593 -0.143 1
1 748 . 1 1 1 A 62 62 ALA N N 62 128.050 128.527 -0.477 1
1 749 . 1 1 1 A 63 63 GLY HA2 H 63 4.300 4.214 0.086 1
1 750 . 1 1 1 A 63 63 GLY HA3 H 63 3.740 4.214 -0.474 1
1 751 . 1 1 1 A 63 63 GLY C C 63 175.370 175.388 -0.018 1
1 752 . 1 1 1 A 63 63 GLY CA C 63 45.440 45.001 0.439 1
1 753 . 1 1 1 A 64 64 GLY H H 64 8.210 8.772 -0.562 1
1 754 . 1 1 1 A 64 64 GLY HA2 H 64 4.230 4.237 -0.007 1
1 755 . 1 1 1 A 64 64 GLY HA3 H 64 3.800 4.237 -0.437 1
1 756 . 1 1 1 A 64 64 GLY C C 64 173.750 174.543 -0.793 1
1 757 . 1 1 1 A 64 64 GLY CA C 64 45.330 45.071 0.259 1
1 758 . 1 1 1 A 64 64 GLY N N 64 107.990 109.086 -1.096 1
1 759 . 1 1 1 A 65 65 ALA H H 65 8.000 8.146 -0.146 1
1 760 . 1 1 1 A 65 65 ALA HA H 65 4.390 4.504 -0.114 1
1 764 . 1 1 1 A 65 65 ALA C C 65 175.600 176.538 -0.938 1
1 765 . 1 1 1 A 65 65 ALA CA C 65 52.440 52.552 -0.112 1
1 766 . 1 1 1 A 65 65 ALA CB C 65 19.990 19.748 0.242 1
1 767 . 1 1 1 A 65 65 ALA N N 65 125.800 123.878 1.922 1
1 768 . 1 1 1 A 66 66 ILE H H 66 8.000 8.903 -0.903 1
1 769 . 1 1 1 A 66 66 ILE HA H 66 4.700 4.809 -0.109 1
1 779 . 1 1 1 A 66 66 ILE C C 66 174.700 173.910 0.790 1
1 780 . 1 1 1 A 66 66 ILE CA C 66 60.450 60.457 -0.007 1
1 781 . 1 1 1 A 66 66 ILE CB C 66 40.910 40.584 0.326 1
1 785 . 1 1 1 A 66 66 ILE N N 66 118.150 122.263 -4.113 1
1 786 . 1 1 1 A 67 67 LEU H H 67 8.240 8.829 -0.589 1
1 787 . 1 1 1 A 67 67 LEU HA H 67 4.720 5.103 -0.383 1
1 797 . 1 1 1 A 67 67 LEU C C 67 174.530 174.149 0.381 1
1 798 . 1 1 1 A 67 67 LEU CA C 67 53.050 53.597 -0.547 1
1 799 . 1 1 1 A 67 67 LEU CB C 67 44.630 44.259 0.371 1
1 803 . 1 1 1 A 67 67 LEU N N 67 127.800 129.401 -1.601 1
1 804 . 1 1 1 A 68 68 TRP H H 68 9.990 9.246 0.744 1
1 805 . 1 1 1 A 68 68 TRP HA H 68 5.679 5.542 0.137 1
1 814 . 1 1 1 A 68 68 TRP C C 68 174.500 175.764 -1.264 1
1 815 . 1 1 1 A 68 68 TRP CA C 68 55.330 55.398 -0.068 1
1 816 . 1 1 1 A 68 68 TRP CB C 68 30.480 31.011 -0.531 1
1 822 . 1 1 1 A 68 68 TRP N N 68 129.400 127.442 1.958 1
1 824 . 1 1 1 A 69 69 ALA H H 69 8.830 9.094 -0.264 1
1 825 . 1 1 1 A 69 69 ALA HA H 69 5.240 5.248 -0.008 1
1 829 . 1 1 1 A 69 69 ALA C C 69 176.300 176.129 0.171 1
1 830 . 1 1 1 A 69 69 ALA CA C 69 49.590 50.887 -1.297 1
1 831 . 1 1 1 A 69 69 ALA CB C 69 22.590 23.825 -1.235 1
1 832 . 1 1 1 A 69 69 ALA N N 69 124.370 125.243 -0.873 1
1 833 . 1 1 1 A 70 70 THR H H 70 8.740 8.822 -0.082 1
1 834 . 1 1 1 A 70 70 THR HA H 70 5.150 4.878 0.272 1
1 839 . 1 1 1 A 70 70 THR CA C 70 60.950 60.474 0.476 1
1 840 . 1 1 1 A 70 70 THR CB C 70 68.120 68.897 -0.777 1
1 842 . 1 1 1 A 70 70 THR N N 70 111.540 110.829 0.711 1
1 843 . 1 1 1 A 71 71 PRO HA H 71 4.160 4.529 -0.369 1
1 850 . 1 1 1 A 71 71 PRO C C 71 176.300 176.708 -0.408 1
1 851 . 1 1 1 A 71 71 PRO CA C 71 64.800 65.040 -0.240 1
1 852 . 1 1 1 A 71 71 PRO CB C 71 31.830 31.872 -0.042 1
1 855 . 1 1 1 A 72 72 ASP H H 72 8.730 8.622 0.108 1
1 856 . 1 1 1 A 72 72 ASP HA H 72 4.500 4.844 -0.344 1
1 859 . 1 1 1 A 72 72 ASP C C 72 175.890 176.406 -0.516 1
1 860 . 1 1 1 A 72 72 ASP CA C 72 53.410 54.136 -0.726 1
1 861 . 1 1 1 A 72 72 ASP CB C 72 40.590 40.176 0.414 1
1 862 . 1 1 1 A 72 72 ASP N N 72 112.390 116.201 -3.811 1
1 863 . 1 1 1 A 73 73 HIS H H 73 8.340 7.756 0.584 1
1 864 . 1 1 1 A 73 73 HIS HA H 73 3.780 4.623 -0.843 1
1 870 . 1 1 1 A 73 73 HIS C C 73 176.030 175.126 0.904 1
1 871 . 1 1 1 A 73 73 HIS CA C 73 58.800 57.322 1.478 1
1 872 . 1 1 1 A 73 73 HIS CB C 73 32.920 30.711 2.209 1
1 875 . 1 1 1 A 73 73 HIS N N 73 125.230 121.607 3.623 1
1 878 . 1 1 1 A 74 74 LYS H H 74 8.410 8.737 -0.327 1
1 879 . 1 1 1 A 74 74 LYS HA H 74 4.640 4.729 -0.089 1
1 888 . 1 1 1 A 74 74 LYS C C 74 175.250 176.479 -1.229 1
1 889 . 1 1 1 A 74 74 LYS CA C 74 57.520 56.422 1.098 1
1 890 . 1 1 1 A 74 74 LYS CB C 74 33.420 33.051 0.369 1
1 894 . 1 1 1 A 74 74 LYS N N 74 127.600 125.604 1.996 1
1 895 . 1 1 1 A 75 75 VAL H H 75 9.460 9.108 0.352 1
1 896 . 1 1 1 A 75 75 VAL HA H 75 4.730 4.965 -0.235 1
1 904 . 1 1 1 A 75 75 VAL C C 75 174.260 175.079 -0.819 1
1 905 . 1 1 1 A 75 75 VAL CA C 75 61.300 60.990 0.310 1
1 906 . 1 1 1 A 75 75 VAL CB C 75 35.810 35.666 0.144 1
1 909 . 1 1 1 A 75 75 VAL N N 75 125.730 124.586 1.144 1
1 910 . 1 1 1 A 76 76 LEU H H 76 8.310 8.808 -0.498 1
1 911 . 1 1 1 A 76 76 LEU HA H 76 3.500 4.876 -1.376 1
1 921 . 1 1 1 A 76 76 LEU C C 76 174.620 175.686 -1.066 1
1 922 . 1 1 1 A 76 76 LEU CA C 76 55.710 54.180 1.530 1
1 923 . 1 1 1 A 76 76 LEU CB C 76 39.480 42.076 -2.596 1
1 927 . 1 1 1 A 76 76 LEU N N 76 129.880 129.771 0.109 1
1 928 . 1 1 1 A 77 77 THR H H 77 7.400 8.431 -1.031 1
1 929 . 1 1 1 A 77 77 THR HA H 77 5.290 5.093 0.197 1
1 934 . 1 1 1 A 77 77 THR C C 77 176.020 175.091 0.929 1
1 935 . 1 1 1 A 77 77 THR CA C 77 59.910 59.467 0.443 1
1 936 . 1 1 1 A 77 77 THR CB C 77 73.490 72.168 1.322 1
1 938 . 1 1 1 A 77 77 THR N N 77 116.250 117.011 -0.761 1
1 939 . 1 1 1 A 78 78 GLU H H 78 8.240 9.323 -1.083 1
1 940 . 1 1 1 A 78 78 GLU HA H 78 3.560 4.347 -0.787 1
1 945 . 1 1 1 A 78 78 GLU C C 78 174.860 176.049 -1.189 1
1 946 . 1 1 1 A 78 78 GLU CA C 78 57.890 58.007 -0.117 1
1 947 . 1 1 1 A 78 78 GLU CB C 78 28.860 28.427 0.433 1
1 949 . 1 1 1 A 78 78 GLU N N 78 120.070 119.392 0.678 1
1 950 . 1 1 1 A 79 79 TYR H H 79 7.750 7.957 -0.207 1
1 951 . 1 1 1 A 79 79 TYR HA H 79 4.770 4.839 -0.069 1
1 958 . 1 1 1 A 79 79 TYR C C 79 175.220 175.682 -0.462 1
1 959 . 1 1 1 A 79 79 TYR CA C 79 56.210 58.177 -1.967 1
1 960 . 1 1 1 A 79 79 TYR CB C 79 38.380 39.312 -0.932 1
1 965 . 1 1 1 A 79 79 TYR N N 79 117.320 117.782 -0.462 1
1 966 . 1 1 1 A 80 80 GLY H H 80 7.360 8.094 -0.734 1
1 967 . 1 1 1 A 80 80 GLY HA2 H 80 4.650 4.347 0.303 1
1 968 . 1 1 1 A 80 80 GLY HA3 H 80 3.550 4.347 -0.797 1
1 969 . 1 1 1 A 80 80 GLY C C 80 175.860 173.804 2.056 1
1 970 . 1 1 1 A 80 80 GLY CA C 80 43.280 44.474 -1.194 1
1 971 . 1 1 1 A 80 80 GLY N N 80 106.960 107.261 -0.301 1
1 972 . 1 1 1 A 81 81 TRP H H 81 9.070 8.466 0.604 1
1 973 . 1 1 1 A 81 81 TRP HA H 81 4.890 5.081 -0.191 1
1 982 . 1 1 1 A 81 81 TRP C C 81 177.280 176.574 0.706 1
1 983 . 1 1 1 A 81 81 TRP CA C 81 58.290 58.113 0.177 1
1 984 . 1 1 1 A 81 81 TRP CB C 81 29.720 29.842 -0.122 1
1 990 . 1 1 1 A 81 81 TRP N N 81 125.750 122.391 3.359 1
1 992 . 1 1 1 A 82 82 ARG H H 82 9.450 9.211 0.239 1
1 993 . 1 1 1 A 82 82 ARG HA H 82 4.780 5.108 -0.328 1
1 1000 . 1 1 1 A 82 82 ARG C C 82 174.420 175.569 -1.149 1
1 1001 . 1 1 1 A 82 82 ARG CA C 82 54.320 53.829 0.491 1
1 1002 . 1 1 1 A 82 82 ARG CB C 82 35.140 33.920 1.220 1
1 1005 . 1 1 1 A 82 82 ARG N N 82 124.680 123.400 1.280 1
1 1006 . 1 1 1 A 83 83 ALA H H 83 8.810 9.025 -0.215 1
1 1007 . 1 1 1 A 83 83 ALA HA H 83 4.310 4.623 -0.313 1
1 1011 . 1 1 1 A 83 83 ALA C C 83 179.020 178.598 0.422 1
1 1012 . 1 1 1 A 83 83 ALA CA C 83 52.390 52.537 -0.147 1
1 1013 . 1 1 1 A 83 83 ALA CB C 83 18.470 19.184 -0.714 1
1 1014 . 1 1 1 A 83 83 ALA N N 83 125.970 124.525 1.445 1
1 1015 . 1 1 1 A 84 84 ALA H H 84 9.350 9.154 0.196 1
1 1016 . 1 1 1 A 84 84 ALA HA H 84 3.930 4.168 -0.238 1
1 1020 . 1 1 1 A 84 84 ALA C C 84 179.880 179.456 0.424 1
1 1021 . 1 1 1 A 84 84 ALA CA C 84 55.630 55.255 0.375 1
1 1022 . 1 1 1 A 84 84 ALA CB C 84 17.790 18.348 -0.558 1
1 1023 . 1 1 1 A 84 84 ALA N N 84 125.850 126.350 -0.500 1
1 1024 . 1 1 1 A 85 85 GLY H H 85 9.730 8.779 0.951 1
1 1025 . 1 1 1 A 85 85 GLY HA2 H 85 3.950 4.157 -0.207 1
1 1026 . 1 1 1 A 85 85 GLY HA3 H 85 3.950 4.157 -0.207 1
1 1027 . 1 1 1 A 85 85 GLY C C 85 174.320 174.795 -0.475 1
1 1028 . 1 1 1 A 85 85 GLY CA C 85 46.010 46.679 -0.669 1
1 1029 . 1 1 1 A 85 85 GLY N N 85 102.280 104.805 -2.525 1
1 1030 . 1 1 1 A 86 86 GLU H H 86 8.160 8.019 0.141 1
1 1031 . 1 1 1 A 86 86 GLU HA H 86 4.420 4.654 -0.234 1
1 1036 . 1 1 1 A 86 86 GLU C C 86 176.840 176.683 0.157 1
1 1037 . 1 1 1 A 86 86 GLU CA C 86 55.890 56.724 -0.834 1
1 1038 . 1 1 1 A 86 86 GLU CB C 86 30.600 30.370 0.230 1
1 1040 . 1 1 1 A 86 86 GLU N N 86 117.650 118.304 -0.654 1
1 1041 . 1 1 1 A 87 87 LEU H H 87 7.210 7.608 -0.398 1
1 1042 . 1 1 1 A 87 87 LEU HA H 87 4.410 4.380 0.030 1
1 1052 . 1 1 1 A 87 87 LEU C C 87 176.320 176.655 -0.335 1
1 1053 . 1 1 1 A 87 87 LEU CA C 87 54.860 55.534 -0.674 1
1 1054 . 1 1 1 A 87 87 LEU CB C 87 42.020 42.455 -0.435 1
1 1058 . 1 1 1 A 87 87 LEU N N 87 119.800 122.382 -2.582 1
1 1059 . 1 1 1 A 88 88 ARG H H 88 9.130 9.210 -0.080 1
1 1060 . 1 1 1 A 88 88 ARG HA H 88 4.620 5.121 -0.501 1
1 1067 . 1 1 1 A 88 88 ARG C C 88 175.190 175.248 -0.058 1
1 1068 . 1 1 1 A 88 88 ARG CA C 88 53.180 53.766 -0.586 1
1 1069 . 1 1 1 A 88 88 ARG CB C 88 34.150 34.152 -0.002 1
1 1072 . 1 1 1 A 88 88 ARG N N 88 120.920 122.188 -1.268 1
1 1073 . 1 1 1 A 89 89 LYS H H 89 8.430 8.730 -0.300 1
1 1074 . 1 1 1 A 89 89 LYS HA H 89 3.670 4.101 -0.431 1
1 1083 . 1 1 1 A 89 89 LYS C C 89 177.410 177.296 0.114 1
1 1084 . 1 1 1 A 89 89 LYS CA C 89 58.360 58.197 0.163 1
1 1085 . 1 1 1 A 89 89 LYS CB C 89 32.320 32.100 0.220 1
1 1089 . 1 1 1 A 89 89 LYS N N 89 119.880 122.826 -2.946 1
1 1090 . 1 1 1 A 90 90 GLY H H 90 8.910 9.168 -0.258 1
1 1091 . 1 1 1 A 90 90 GLY HA2 H 90 4.560 4.209 0.351 1
1 1092 . 1 1 1 A 90 90 GLY HA3 H 90 3.430 4.209 -0.779 1
1 1093 . 1 1 1 A 90 90 GLY C C 90 174.710 174.121 0.589 1
1 1094 . 1 1 1 A 90 90 GLY CA C 90 45.080 45.036 0.044 1
1 1095 . 1 1 1 A 90 90 GLY N N 90 115.150 114.953 0.197 1
1 1096 . 1 1 1 A 91 91 ASP H H 91 8.200 8.334 -0.134 1
1 1097 . 1 1 1 A 91 91 ASP HA H 91 4.710 4.858 -0.148 1
1 1100 . 1 1 1 A 91 91 ASP C C 91 175.460 174.860 0.600 1
1 1101 . 1 1 1 A 91 91 ASP CA C 91 55.740 55.131 0.609 1
1 1102 . 1 1 1 A 91 91 ASP CB C 91 42.020 41.775 0.245 1
1 1103 . 1 1 1 A 91 91 ASP N N 91 121.740 121.817 -0.077 1
1 1104 . 1 1 1 A 92 92 ARG H H 92 8.780 8.863 -0.083 1
1 1105 . 1 1 1 A 92 92 ARG HA H 92 5.240 5.214 0.026 1
1 1112 . 1 1 1 A 92 92 ARG C C 92 176.920 175.890 1.030 1
1 1113 . 1 1 1 A 92 92 ARG CA C 92 55.570 54.642 0.928 1
1 1114 . 1 1 1 A 92 92 ARG CB C 92 32.230 33.246 -1.016 1
1 1117 . 1 1 1 A 92 92 ARG N N 92 117.880 122.251 -4.371 1
1 1118 . 1 1 1 A 93 93 VAL H H 93 8.860 9.157 -0.297 1
1 1119 . 1 1 1 A 93 93 VAL HA H 93 4.820 5.037 -0.217 1
1 1127 . 1 1 1 A 93 93 VAL C C 93 173.810 175.048 -1.238 1
1 1128 . 1 1 1 A 93 93 VAL CA C 93 58.770 59.633 -0.863 1
1 1129 . 1 1 1 A 93 93 VAL CB C 93 34.100 34.245 -0.145 1
1 1132 . 1 1 1 A 93 93 VAL N N 93 115.140 117.958 -2.818 1
1 1133 . 1 1 1 A 94 94 ALA H H 94 8.590 8.730 -0.140 1
1 1134 . 1 1 1 A 94 94 ALA HA H 94 4.260 4.897 -0.637 1
1 1138 . 1 1 1 A 94 94 ALA C C 94 175.540 177.361 -1.821 1
1 1139 . 1 1 1 A 94 94 ALA CA C 94 51.430 51.088 0.342 1
1 1140 . 1 1 1 A 94 94 ALA CB C 94 19.230 19.011 0.219 1
1 1141 . 1 1 1 A 94 94 ALA N N 94 126.310 124.484 1.826 1
1 1142 . 1 1 1 A 95 95 VAL H H 95 8.880 9.083 -0.203 1
1 1143 . 1 1 1 A 95 95 VAL HA H 95 5.310 5.161 0.149 1
1 1151 . 1 1 1 A 95 95 VAL C C 95 174.810 173.743 1.067 1
1 1152 . 1 1 1 A 95 95 VAL CA C 95 57.540 58.666 -1.126 1
1 1153 . 1 1 1 A 95 95 VAL CB C 95 35.600 35.579 0.021 1
1 1156 . 1 1 1 A 95 95 VAL N N 95 115.240 116.374 -1.134 1
1 1157 . 1 1 1 A 96 96 ARG H H 96 8.080 9.011 -0.931 1
1 1158 . 1 1 1 A 96 96 ARG HA H 96 4.230 5.043 -0.813 1
1 1165 . 1 1 1 A 96 96 ARG C C 96 175.690 175.758 -0.068 1
1 1166 . 1 1 1 A 96 96 ARG CA C 96 54.240 54.791 -0.551 1
1 1167 . 1 1 1 A 96 96 ARG CB C 96 32.140 32.062 0.078 1
1 1170 . 1 1 1 A 96 96 ARG N N 96 119.440 123.045 -3.605 1
1 1171 . 1 1 1 A 97 97 ASP H H 97 8.900 8.807 0.093 1
1 1172 . 1 1 1 A 97 97 ASP HA H 97 4.420 4.948 -0.528 1
1 1175 . 1 1 1 A 97 97 ASP C C 97 177.070 177.360 -0.290 1
1 1176 . 1 1 1 A 97 97 ASP CA C 97 54.480 54.595 -0.115 1
1 1177 . 1 1 1 A 97 97 ASP CB C 97 43.210 42.188 1.022 1
1 1178 . 1 1 1 A 97 97 ASP N N 97 131.240 126.474 4.766 1
1 1179 . 1 1 1 A 98 98 VAL H H 98 8.430 8.937 -0.507 1
1 1180 . 1 1 1 A 98 98 VAL HA H 98 3.490 4.177 -0.687 1
1 1188 . 1 1 1 A 98 98 VAL C C 98 177.240 176.959 0.281 1
1 1189 . 1 1 1 A 98 98 VAL CA C 98 65.200 64.605 0.595 1
1 1190 . 1 1 1 A 98 98 VAL CB C 98 31.650 31.750 -0.100 1
1 1193 . 1 1 1 A 98 98 VAL N N 98 126.180 126.821 -0.641 1
1 1194 . 1 1 1 A 99 99 GLU H H 99 8.190 8.157 0.033 1
1 1195 . 1 1 1 A 99 99 GLU HA H 99 4.120 4.601 -0.481 1
1 1200 . 1 1 1 A 99 99 GLU C C 99 178.400 178.377 0.023 1
1 1201 . 1 1 1 A 99 99 GLU CA C 99 58.700 58.056 0.644 1
1 1202 . 1 1 1 A 99 99 GLU CB C 99 29.950 30.719 -0.769 1
1 1204 . 1 1 1 A 99 99 GLU N N 99 118.940 120.965 -2.025 1
1 1205 . 1 1 1 A 100 100 THR H H 100 8.030 8.157 -0.127 1
1 1206 . 1 1 1 A 100 100 THR HA H 100 4.320 4.609 -0.289 1
1 1211 . 1 1 1 A 100 100 THR C C 100 176.820 176.259 0.561 1
1 1212 . 1 1 1 A 100 100 THR CA C 100 62.160 62.497 -0.337 1
1 1213 . 1 1 1 A 100 100 THR CB C 100 71.360 70.521 0.839 1
1 1215 . 1 1 1 A 100 100 THR N N 100 106.360 108.303 -1.943 1
1 1216 . 1 1 1 A 101 101 GLY H H 101 8.190 8.203 -0.013 1
1 1217 . 1 1 1 A 101 101 GLY HA2 H 101 4.050 4.154 -0.104 1
1 1218 . 1 1 1 A 101 101 GLY HA3 H 101 3.470 4.154 -0.684 1
1 1219 . 1 1 1 A 101 101 GLY C C 101 173.370 174.553 -1.183 1
1 1220 . 1 1 1 A 101 101 GLY CA C 101 45.450 45.791 -0.341 1
1 1221 . 1 1 1 A 101 101 GLY N N 101 111.260 111.088 0.172 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 95 1.009 1
2 1 1 1 "RMS(OBS, PRED)" CA 100 0.879 1
3 1 1 1 "RMS(OBS, PRED)" CB 87 1.073 1
4 1 1 1 "RMS(OBS, PRED)" H 95 0.661 1
5 1 1 1 "RMS(OBS, PRED)" HA 113 0.601 1
6 1 1 1 "RMS(OBS, PRED)" N 95 2.741 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 7 . 1 1 A 2 2 LEU H H 2 9.080 8.997 0.083 2
1 8 . 1 1 A 2 2 LEU HA H 2 5.030 5.033 -0.003 2
1 18 . 1 1 A 2 2 LEU C C 2 176.700 176.533 0.167 2
1 19 . 1 1 A 2 2 LEU CA C 2 54.030 53.605 0.425 2
1 20 . 1 1 A 2 2 LEU CB C 2 44.360 43.719 0.641 2
1 24 . 1 1 A 2 2 LEU N N 2 122.570 123.262 -0.692 2
1 25 . 1 1 A 3 3 ALA H H 3 8.180 8.791 -0.611 2
1 26 . 1 1 A 3 3 ALA HA H 3 4.700 4.510 0.190 2
1 30 . 1 1 A 3 3 ALA C C 3 178.150 177.262 0.888 2
1 31 . 1 1 A 3 3 ALA CA C 3 53.240 52.335 0.905 2
1 32 . 1 1 A 3 3 ALA CB C 3 22.400 19.151 3.249 2
1 33 . 1 1 A 3 3 ALA N N 3 121.290 127.102 -5.812 2
1 34 . 1 1 A 4 4 GLU H H 4 8.770 8.969 -0.199 2
1 35 . 1 1 A 4 4 GLU HA H 4 4.070 4.107 -0.037 2
1 40 . 1 1 A 4 4 GLU C C 4 175.150 177.410 -2.260 2
1 41 . 1 1 A 4 4 GLU CA C 4 57.810 58.584 -0.774 2
1 42 . 1 1 A 4 4 GLU CB C 4 31.010 29.515 1.495 2
1 44 . 1 1 A 4 4 GLU N N 4 121.260 121.810 -0.550 2
1 45 . 1 1 A 5 5 GLY H H 5 11.320 9.211 2.109 2
1 46 . 1 1 A 5 5 GLY HA2 H 5 4.500 4.190 0.310 2
1 47 . 1 1 A 5 5 GLY HA3 H 5 3.670 4.190 -0.520 2
1 48 . 1 1 A 5 5 GLY C C 5 174.560 174.546 0.014 2
1 49 . 1 1 A 5 5 GLY CA C 5 44.700 45.089 -0.389 2
1 50 . 1 1 A 5 5 GLY N N 5 120.060 115.393 4.667 2
1 51 . 1 1 A 6 6 THR H H 6 7.940 7.893 0.047 2
1 52 . 1 1 A 6 6 THR HA H 6 4.300 4.328 -0.028 2
1 57 . 1 1 A 6 6 THR C C 6 174.400 174.001 0.399 2
1 58 . 1 1 A 6 6 THR CA C 6 65.810 63.802 2.008 2
1 59 . 1 1 A 6 6 THR CB C 6 68.910 69.296 -0.386 2
1 61 . 1 1 A 6 6 THR N N 6 117.120 117.187 -0.067 2
1 62 . 1 1 A 7 7 ARG H H 7 9.570 8.664 0.906 2
1 63 . 1 1 A 7 7 ARG HA H 7 4.860 4.926 -0.066 2
1 70 . 1 1 A 7 7 ARG C C 7 176.360 175.595 0.765 2
1 71 . 1 1 A 7 7 ARG CA C 7 56.390 56.019 0.371 2
1 72 . 1 1 A 7 7 ARG CB C 7 31.140 31.610 -0.470 2
1 75 . 1 1 A 7 7 ARG N N 7 130.220 127.415 2.805 2
1 76 . 1 1 A 8 8 ILE H H 8 9.600 9.240 0.360 2
1 77 . 1 1 A 8 8 ILE HA H 8 4.520 4.942 -0.422 2
1 87 . 1 1 A 8 8 ILE C C 8 174.350 174.542 -0.192 2
1 88 . 1 1 A 8 8 ILE CA C 8 59.830 60.262 -0.432 2
1 89 . 1 1 A 8 8 ILE CB C 8 41.020 40.579 0.441 2
1 93 . 1 1 A 8 8 ILE N N 8 123.840 123.757 0.083 2
1 94 . 1 1 A 9 9 PHE H H 9 8.190 9.228 -1.038 2
1 95 . 1 1 A 9 9 PHE HA H 9 4.830 4.925 -0.095 2
1 103 . 1 1 A 9 9 PHE C C 9 172.880 173.651 -0.771 2
1 104 . 1 1 A 9 9 PHE CA C 9 57.500 57.416 0.084 2
1 105 . 1 1 A 9 9 PHE CB C 9 41.000 40.107 0.893 2
1 110 . 1 1 A 9 9 PHE N N 9 129.240 129.133 0.107 2
1 111 . 1 1 A 10 10 ASP H H 10 8.290 8.771 -0.481 2
1 112 . 1 1 A 10 10 ASP HA H 10 5.530 5.263 0.267 2
1 115 . 1 1 A 10 10 ASP CA C 10 49.700 49.834 -0.134 2
1 116 . 1 1 A 10 10 ASP CB C 10 43.510 42.108 1.402 2
1 117 . 1 1 A 10 10 ASP N N 10 128.170 127.974 0.196 2
1 118 . 1 1 A 11 11 PRO HA H 11 3.960 4.625 -0.665 2
1 125 . 1 1 A 11 11 PRO C C 11 178.270 177.561 0.709 2
1 126 . 1 1 A 11 11 PRO CA C 11 62.560 64.057 -1.497 2
1 127 . 1 1 A 11 11 PRO CB C 11 31.390 32.002 -0.612 2
1 130 . 1 1 A 12 12 VAL H H 12 8.960 7.556 1.404 2
1 131 . 1 1 A 12 12 VAL HA H 12 3.650 4.064 -0.414 2
1 139 . 1 1 A 12 12 VAL C C 12 177.900 177.536 0.364 2
1 140 . 1 1 A 12 12 VAL CA C 12 65.070 64.963 0.107 2
1 141 . 1 1 A 12 12 VAL CB C 12 30.860 31.674 -0.814 2
1 144 . 1 1 A 12 12 VAL N N 12 124.140 116.876 7.264 2
1 145 . 1 1 A 13 13 THR H H 13 7.130 8.094 -0.964 2
1 146 . 1 1 A 13 13 THR HA H 13 4.230 4.650 -0.420 2
1 151 . 1 1 A 13 13 THR C C 13 176.720 176.236 0.484 2
1 152 . 1 1 A 13 13 THR CA C 13 61.450 62.326 -0.876 2
1 153 . 1 1 A 13 13 THR CB C 13 69.980 70.605 -0.625 2
1 155 . 1 1 A 13 13 THR N N 13 107.140 108.090 -0.950 2
1 156 . 1 1 A 14 14 GLY H H 14 8.390 8.471 -0.081 2
1 157 . 1 1 A 14 14 GLY HA2 H 14 4.060 4.136 -0.076 2
1 158 . 1 1 A 14 14 GLY HA3 H 14 3.620 4.136 -0.516 2
1 159 . 1 1 A 14 14 GLY C C 14 174.490 174.535 -0.045 2
1 160 . 1 1 A 14 14 GLY CA C 14 46.190 45.616 0.574 2
1 161 . 1 1 A 14 14 GLY N N 14 112.900 111.710 1.190 2
1 162 . 1 1 A 15 15 THR H H 15 7.660 8.152 -0.492 2
1 163 . 1 1 A 15 15 THR HA H 15 4.290 4.508 -0.218 2
1 168 . 1 1 A 15 15 THR C C 15 172.330 173.898 -1.568 2
1 169 . 1 1 A 15 15 THR CA C 15 62.060 62.531 -0.471 2
1 170 . 1 1 A 15 15 THR CB C 15 70.690 69.745 0.945 2
1 172 . 1 1 A 15 15 THR N N 15 117.100 117.335 -0.235 2
1 173 . 1 1 A 16 16 THR H H 16 8.520 8.966 -0.446 2
1 174 . 1 1 A 16 16 THR HA H 16 4.920 5.117 -0.197 2
1 179 . 1 1 A 16 16 THR C C 16 173.350 173.952 -0.602 2
1 180 . 1 1 A 16 16 THR CA C 16 62.790 61.738 1.052 2
1 181 . 1 1 A 16 16 THR CB C 16 69.280 70.175 -0.895 2
1 183 . 1 1 A 16 16 THR N N 16 120.300 121.498 -1.198 2
1 184 . 1 1 A 17 17 HIS H H 17 9.010 9.415 -0.405 2
1 185 . 1 1 A 17 17 HIS HA H 17 4.590 5.446 -0.856 2
1 190 . 1 1 A 17 17 HIS C C 17 175.520 175.153 0.367 2
1 191 . 1 1 A 17 17 HIS CA C 17 55.070 54.036 1.034 2
1 192 . 1 1 A 17 17 HIS CB C 17 35.800 32.413 3.387 2
1 194 . 1 1 A 17 17 HIS N N 17 126.890 124.776 2.114 2
1 197 . 1 1 A 18 18 ARG H H 18 9.380 9.153 0.227 2
1 198 . 1 1 A 18 18 ARG HA H 18 4.700 4.511 0.189 2
1 205 . 1 1 A 18 18 ARG C C 18 180.170 177.382 2.788 2
1 206 . 1 1 A 18 18 ARG CA C 18 55.220 55.953 -0.733 2
1 207 . 1 1 A 18 18 ARG CB C 18 30.300 31.055 -0.755 2
1 210 . 1 1 A 18 18 ARG N N 18 120.920 121.223 -0.303 2
1 211 . 1 1 A 19 19 ILE H H 19 9.020 8.914 0.106 2
1 212 . 1 1 A 19 19 ILE HA H 19 3.700 4.156 -0.456 2
1 222 . 1 1 A 19 19 ILE C C 19 174.330 177.164 -2.834 2
1 223 . 1 1 A 19 19 ILE CA C 19 66.700 63.639 3.061 2
1 224 . 1 1 A 19 19 ILE CB C 19 38.290 38.064 0.226 2
1 228 . 1 1 A 19 19 ILE N N 19 125.320 126.129 -0.809 2
1 229 . 1 1 A 20 20 GLU H H 20 10.880 9.327 1.553 2
1 230 . 1 1 A 20 20 GLU HA H 20 2.790 4.301 -1.511 2
1 235 . 1 1 A 20 20 GLU C C 20 178.680 177.751 0.929 2
1 236 . 1 1 A 20 20 GLU CA C 20 58.190 57.813 0.377 2
1 237 . 1 1 A 20 20 GLU CB C 20 28.340 27.171 1.169 2
1 239 . 1 1 A 20 20 GLU N N 20 123.840 119.139 4.701 2
1 240 . 1 1 A 21 21 ASP H H 21 7.310 8.227 -0.917 2
1 241 . 1 1 A 21 21 ASP HA H 21 4.520 4.721 -0.201 2
1 244 . 1 1 A 21 21 ASP C C 21 178.990 178.723 0.267 2
1 245 . 1 1 A 21 21 ASP CA C 21 56.220 56.663 -0.443 2
1 246 . 1 1 A 21 21 ASP CB C 21 40.460 40.891 -0.431 2
1 247 . 1 1 A 21 21 ASP N N 21 124.470 120.241 4.229 2
1 248 . 1 1 A 22 22 VAL H H 22 7.440 8.244 -0.804 2
1 249 . 1 1 A 22 22 VAL HA H 22 3.300 3.837 -0.537 2
1 257 . 1 1 A 22 22 VAL C C 22 177.540 178.533 -0.993 2
1 258 . 1 1 A 22 22 VAL CA C 22 66.560 66.456 0.104 2
1 259 . 1 1 A 22 22 VAL CB C 22 31.890 31.636 0.254 2
1 262 . 1 1 A 22 22 VAL N N 22 121.860 120.724 1.136 2
1 263 . 1 1 A 23 23 VAL H H 23 8.350 8.205 0.145 2
1 264 . 1 1 A 23 23 VAL HA H 23 3.930 3.920 0.010 2
1 272 . 1 1 A 23 23 VAL C C 23 179.080 178.340 0.740 2
1 273 . 1 1 A 23 23 VAL CA C 23 66.980 66.418 0.562 2
1 274 . 1 1 A 23 23 VAL CB C 23 32.130 31.841 0.289 2
1 277 . 1 1 A 23 23 VAL N N 23 116.730 120.764 -4.034 2
1 278 . 1 1 A 24 24 GLY H H 24 8.330 8.446 -0.116 2
1 279 . 1 1 A 24 24 GLY HA2 H 24 3.990 4.101 -0.111 2
1 280 . 1 1 A 24 24 GLY HA3 H 24 3.760 4.101 -0.341 2
1 281 . 1 1 A 24 24 GLY C C 24 175.050 175.270 -0.220 2
1 282 . 1 1 A 24 24 GLY CA C 24 47.090 47.162 -0.072 2
1 283 . 1 1 A 24 24 GLY N N 24 108.170 108.221 -0.051 2
1 284 . 1 1 A 25 25 GLY H H 25 7.340 8.139 -0.799 2
1 285 . 1 1 A 25 25 GLY HA2 H 25 4.240 4.220 0.020 2
1 286 . 1 1 A 25 25 GLY HA3 H 25 3.170 4.220 -1.050 2
1 287 . 1 1 A 25 25 GLY C C 25 172.430 172.993 -0.563 2
1 288 . 1 1 A 25 25 GLY CA C 25 44.280 44.891 -0.611 2
1 289 . 1 1 A 25 25 GLY N N 25 103.760 107.993 -4.233 2
1 290 . 1 1 A 26 26 ARG H H 26 7.290 8.036 -0.746 2
1 291 . 1 1 A 26 26 ARG HA H 26 1.520 4.067 -2.547 2
1 299 . 1 1 A 26 26 ARG C C 26 174.600 174.471 0.129 2
1 300 . 1 1 A 26 26 ARG CA C 26 55.680 55.952 -0.272 2
1 301 . 1 1 A 26 26 ARG CB C 26 27.360 26.525 0.835 2
1 304 . 1 1 A 26 26 ARG N N 26 122.130 115.621 6.509 2
1 306 . 1 1 A 27 27 LYS H H 27 8.040 8.243 -0.203 2
1 307 . 1 1 A 27 27 LYS HA H 27 4.150 4.637 -0.487 2
1 308 . 1 1 A 27 27 LYS CA C 27 55.300 53.814 1.486 2
1 309 . 1 1 A 27 27 LYS CB C 27 33.340 32.442 0.898 2
1 310 . 1 1 A 27 27 LYS N N 27 115.800 119.595 -3.795 2
1 311 . 1 1 A 28 28 PRO HA H 28 5.130 4.878 0.252 2
1 318 . 1 1 A 28 28 PRO C C 28 176.420 175.679 0.741 2
1 319 . 1 1 A 28 28 PRO CA C 28 62.240 62.778 -0.538 2
1 320 . 1 1 A 28 28 PRO CB C 28 28.160 29.123 -0.963 2
1 323 . 1 1 A 29 29 ILE H H 29 7.560 7.967 -0.407 2
1 324 . 1 1 A 29 29 ILE HA H 29 4.430 4.500 -0.070 2
1 334 . 1 1 A 29 29 ILE C C 29 175.220 175.528 -0.308 2
1 335 . 1 1 A 29 29 ILE CA C 29 61.380 59.617 1.763 2
1 336 . 1 1 A 29 29 ILE CB C 29 39.000 39.248 -0.248 2
1 340 . 1 1 A 29 29 ILE N N 29 116.630 119.363 -2.733 2
1 341 . 1 1 A 30 30 HIS H H 30 8.280 9.233 -0.953 2
1 342 . 1 1 A 30 30 HIS HA H 30 5.150 5.626 -0.476 2
1 347 . 1 1 A 30 30 HIS C C 30 172.520 174.485 -1.965 2
1 348 . 1 1 A 30 30 HIS CA C 30 56.370 54.510 1.860 2
1 349 . 1 1 A 30 30 HIS CB C 30 31.520 32.444 -0.924 2
1 350 . 1 1 A 30 30 HIS N N 30 117.970 119.768 -1.798 2
1 352 . 1 1 A 31 31 VAL H H 31 8.630 8.872 -0.242 2
1 353 . 1 1 A 31 31 VAL HA H 31 5.210 5.035 0.175 2
1 361 . 1 1 A 31 31 VAL C C 31 176.360 174.556 1.804 2
1 362 . 1 1 A 31 31 VAL CA C 31 58.070 59.157 -1.087 2
1 363 . 1 1 A 31 31 VAL CB C 31 34.630 35.989 -1.359 2
1 366 . 1 1 A 31 31 VAL N N 31 107.440 115.195 -7.755 2
1 367 . 1 1 A 32 32 VAL H H 32 8.830 8.952 -0.122 2
1 368 . 1 1 A 32 32 VAL HA H 32 4.240 4.725 -0.485 2
1 376 . 1 1 A 32 32 VAL C C 32 173.140 175.201 -2.061 2
1 377 . 1 1 A 32 32 VAL CA C 32 62.960 61.860 1.100 2
1 378 . 1 1 A 32 32 VAL CB C 32 30.760 32.431 -1.671 2
1 381 . 1 1 A 32 32 VAL N N 32 119.980 122.600 -2.620 2
1 382 . 1 1 A 33 33 ALA H H 33 9.260 9.384 -0.124 2
1 383 . 1 1 A 33 33 ALA HA H 33 4.510 5.416 -0.906 2
1 387 . 1 1 A 33 33 ALA C C 33 175.460 175.720 -0.260 2
1 388 . 1 1 A 33 33 ALA CA C 33 50.190 50.102 0.088 2
1 389 . 1 1 A 33 33 ALA CB C 33 24.440 22.988 1.452 2
1 390 . 1 1 A 33 33 ALA N N 33 129.010 130.391 -1.381 2
1 391 . 1 1 A 34 34 ALA H H 34 8.150 8.930 -0.780 2
1 392 . 1 1 A 34 34 ALA HA H 34 5.210 5.486 -0.276 2
1 396 . 1 1 A 34 34 ALA C C 34 177.900 177.336 0.564 2
1 397 . 1 1 A 34 34 ALA CA C 34 50.360 50.331 0.029 2
1 398 . 1 1 A 34 34 ALA CB C 34 21.960 21.232 0.728 2
1 399 . 1 1 A 34 34 ALA N N 34 121.270 122.643 -1.373 2
1 400 . 1 1 A 35 35 ALA H H 35 9.110 8.743 0.367 2
1 401 . 1 1 A 35 35 ALA HA H 35 4.630 4.818 -0.188 2
1 405 . 1 1 A 35 35 ALA C C 35 179.120 177.828 1.292 2
1 406 . 1 1 A 35 35 ALA CA C 35 50.560 50.952 -0.392 2
1 407 . 1 1 A 35 35 ALA CB C 35 20.620 20.263 0.357 2
1 408 . 1 1 A 35 35 ALA N N 35 125.930 124.919 1.011 2
1 409 . 1 1 A 36 36 LYS H H 36 8.990 9.171 -0.181 2
1 410 . 1 1 A 36 36 LYS HA H 36 4.210 4.226 -0.016 2
1 419 . 1 1 A 36 36 LYS C C 36 176.840 178.490 -1.650 2
1 420 . 1 1 A 36 36 LYS CA C 36 59.500 59.337 0.163 2
1 421 . 1 1 A 36 36 LYS CB C 36 32.260 32.816 -0.556 2
1 425 . 1 1 A 36 36 LYS N N 36 121.160 118.963 2.197 2
1 426 . 1 1 A 37 37 ASP H H 37 7.770 8.171 -0.401 2
1 427 . 1 1 A 37 37 ASP HA H 37 4.530 4.742 -0.212 2
1 430 . 1 1 A 37 37 ASP C C 37 177.040 177.220 -0.180 2
1 431 . 1 1 A 37 37 ASP CA C 37 53.330 53.396 -0.066 2
1 432 . 1 1 A 37 37 ASP CB C 37 40.100 39.703 0.397 2
1 433 . 1 1 A 37 37 ASP N N 37 115.880 115.342 0.538 2
1 434 . 1 1 A 38 38 GLY H H 38 8.150 8.297 -0.147 2
1 435 . 1 1 A 38 38 GLY HA2 H 38 4.180 4.203 -0.023 2
1 436 . 1 1 A 38 38 GLY HA3 H 38 3.390 4.203 -0.813 2
1 437 . 1 1 A 38 38 GLY C C 38 173.410 174.342 -0.932 2
1 438 . 1 1 A 38 38 GLY CA C 38 45.460 46.332 -0.872 2
1 439 . 1 1 A 38 38 GLY N N 38 107.710 109.380 -1.670 2
1 440 . 1 1 A 39 39 THR H H 39 7.700 8.038 -0.338 2
1 441 . 1 1 A 39 39 THR HA H 39 4.280 4.971 -0.691 2
1 446 . 1 1 A 39 39 THR C C 39 173.530 173.609 -0.079 2
1 447 . 1 1 A 39 39 THR CA C 39 61.560 60.106 1.454 2
1 448 . 1 1 A 39 39 THR CB C 39 70.590 71.613 -1.023 2
1 450 . 1 1 A 39 39 THR N N 39 110.420 112.415 -1.995 2
1 451 . 1 1 A 40 40 LEU H H 40 8.240 8.707 -0.467 2
1 452 . 1 1 A 40 40 LEU HA H 40 5.330 5.358 -0.028 2
1 462 . 1 1 A 40 40 LEU C C 40 177.230 175.420 1.810 2
1 463 . 1 1 A 40 40 LEU CA C 40 53.800 53.783 0.017 2
1 464 . 1 1 A 40 40 LEU CB C 40 42.340 43.730 -1.390 2
1 468 . 1 1 A 40 40 LEU N N 40 120.860 123.935 -3.075 2
1 469 . 1 1 A 41 41 HIS H H 41 9.260 9.161 0.099 2
1 470 . 1 1 A 41 41 HIS HA H 41 4.640 5.294 -0.654 2
1 475 . 1 1 A 41 41 HIS C C 41 173.970 174.002 -0.032 2
1 476 . 1 1 A 41 41 HIS CA C 41 55.290 54.541 0.749 2
1 477 . 1 1 A 41 41 HIS CB C 41 35.790 33.719 2.071 2
1 479 . 1 1 A 41 41 HIS N N 41 120.160 120.609 -0.449 2
1 482 . 1 1 A 42 42 ALA H H 42 9.120 8.680 0.440 2
1 483 . 1 1 A 42 42 ALA HA H 42 5.520 5.159 0.361 2
1 487 . 1 1 A 42 42 ALA C C 42 179.680 176.992 2.688 2
1 488 . 1 1 A 42 42 ALA CA C 42 51.460 50.831 0.629 2
1 489 . 1 1 A 42 42 ALA CB C 42 19.390 20.497 -1.107 2
1 490 . 1 1 A 42 42 ALA N N 42 125.210 124.453 0.757 2
1 491 . 1 1 A 43 43 ARG H H 43 9.010 8.995 0.015 2
1 492 . 1 1 A 43 43 ARG HA H 43 5.170 5.024 0.146 2
1 499 . 1 1 A 43 43 ARG CA C 43 51.420 52.686 -1.266 2
1 500 . 1 1 A 43 43 ARG CB C 43 35.960 32.584 3.376 2
1 503 . 1 1 A 43 43 ARG N N 43 124.400 123.070 1.330 2
1 504 . 1 1 A 44 44 PRO HA H 44 4.530 4.994 -0.464 2
1 511 . 1 1 A 44 44 PRO C C 44 175.320 175.504 -0.184 2
1 512 . 1 1 A 44 44 PRO CA C 44 62.310 61.736 0.574 2
1 513 . 1 1 A 44 44 PRO CB C 44 32.330 32.118 0.212 2
1 516 . 1 1 A 45 45 VAL H H 45 7.780 9.095 -1.315 2
1 517 . 1 1 A 45 45 VAL HA H 45 4.200 4.374 -0.174 2
1 525 . 1 1 A 45 45 VAL C C 45 176.170 176.382 -0.212 2
1 526 . 1 1 A 45 45 VAL CA C 45 62.330 61.774 0.556 2
1 527 . 1 1 A 45 45 VAL CB C 45 32.450 31.758 0.692 2
1 530 . 1 1 A 45 45 VAL N N 45 119.100 121.225 -2.125 2
1 531 . 1 1 A 46 46 VAL H H 46 8.210 9.061 -0.851 2
1 532 . 1 1 A 46 46 VAL HA H 46 4.110 4.614 -0.504 2
1 540 . 1 1 A 46 46 VAL C C 46 175.440 175.217 0.223 2
1 541 . 1 1 A 46 46 VAL CA C 46 60.180 61.635 -1.455 2
1 542 . 1 1 A 46 46 VAL CB C 46 33.760 33.034 0.726 2
1 545 . 1 1 A 46 46 VAL N N 46 114.680 120.878 -6.198 2
1 546 . 1 1 A 47 47 SER H H 47 6.480 8.087 -1.607 2
1 547 . 1 1 A 47 47 SER HA H 47 3.960 5.298 -1.338 2
1 550 . 1 1 A 47 47 SER C C 47 170.790 171.402 -0.612 2
1 551 . 1 1 A 47 47 SER CA C 47 57.520 57.003 0.517 2
1 552 . 1 1 A 47 47 SER CB C 47 65.760 66.565 -0.805 2
1 553 . 1 1 A 47 47 SER N N 47 113.390 114.911 -1.521 2
1 554 . 1 1 A 48 48 TRP H H 48 7.640 8.823 -1.183 2
1 555 . 1 1 A 48 48 TRP HA H 48 4.500 5.357 -0.857 2
1 564 . 1 1 A 48 48 TRP C C 48 173.970 175.420 -1.450 2
1 565 . 1 1 A 48 48 TRP CA C 48 58.670 55.727 2.943 2
1 566 . 1 1 A 48 48 TRP CB C 48 32.910 32.963 -0.053 2
1 572 . 1 1 A 48 48 TRP N N 48 120.890 122.235 -1.345 2
1 574 . 1 1 A 49 49 PHE H H 49 8.900 9.285 -0.385 2
1 575 . 1 1 A 49 49 PHE HA H 49 5.170 5.234 -0.064 2
1 583 . 1 1 A 49 49 PHE C C 49 174.440 174.217 0.223 2
1 584 . 1 1 A 49 49 PHE CA C 49 56.180 55.925 0.255 2
1 585 . 1 1 A 49 49 PHE CB C 49 41.650 42.146 -0.496 2
1 590 . 1 1 A 49 49 PHE N N 49 120.400 122.013 -1.613 2
1 591 . 1 1 A 50 50 ASP H H 50 9.090 8.965 0.125 2
1 592 . 1 1 A 50 50 ASP HA H 50 4.830 4.952 -0.122 2
1 595 . 1 1 A 50 50 ASP C C 50 176.870 176.548 0.322 2
1 596 . 1 1 A 50 50 ASP CA C 50 54.010 53.197 0.813 2
1 597 . 1 1 A 50 50 ASP CB C 50 41.200 40.912 0.288 2
1 598 . 1 1 A 50 50 ASP N N 50 127.480 124.296 3.184 2
1 599 . 1 1 A 51 51 GLN H H 51 8.030 9.099 -1.069 2
1 600 . 1 1 A 51 51 GLN HA H 51 4.790 4.696 0.094 2
1 607 . 1 1 A 51 51 GLN C C 51 176.680 176.114 0.566 2
1 608 . 1 1 A 51 51 GLN CA C 51 55.340 55.431 -0.091 2
1 609 . 1 1 A 51 51 GLN CB C 51 28.800 28.953 -0.153 2
1 611 . 1 1 A 51 51 GLN N N 51 123.540 123.585 -0.045 2
1 613 . 1 1 A 52 52 GLY H H 52 8.040 8.194 -0.154 2
1 614 . 1 1 A 52 52 GLY HA2 H 52 4.150 4.306 -0.156 2
1 615 . 1 1 A 52 52 GLY HA3 H 52 3.840 4.306 -0.466 2
1 616 . 1 1 A 52 52 GLY C C 52 173.990 173.172 0.818 2
1 617 . 1 1 A 52 52 GLY CA C 52 44.720 44.563 0.157 2
1 618 . 1 1 A 52 52 GLY N N 52 108.530 107.657 0.873 2
1 619 . 1 1 A 53 53 THR H H 53 8.620 8.579 0.041 2
1 620 . 1 1 A 53 53 THR HA H 53 4.730 4.959 -0.229 2
1 625 . 1 1 A 53 53 THR C C 53 174.680 174.163 0.517 2
1 626 . 1 1 A 53 53 THR CA C 53 63.240 63.061 0.179 2
1 627 . 1 1 A 53 53 THR CB C 53 68.480 69.572 -1.092 2
1 629 . 1 1 A 53 53 THR N N 53 119.100 115.739 3.361 2
1 630 . 1 1 A 54 54 ARG H H 54 8.880 8.899 -0.019 2
1 631 . 1 1 A 54 54 ARG HA H 54 4.650 5.105 -0.455 2
1 638 . 1 1 A 54 54 ARG C C 54 174.120 175.291 -1.171 2
1 639 . 1 1 A 54 54 ARG CA C 54 54.530 54.079 0.451 2
1 640 . 1 1 A 54 54 ARG CB C 54 36.140 34.724 1.416 2
1 643 . 1 1 A 54 54 ARG N N 54 126.070 123.580 2.490 2
1 644 . 1 1 A 55 55 ASP H H 55 8.020 8.577 -0.557 2
1 645 . 1 1 A 55 55 ASP HA H 55 4.970 5.243 -0.273 2
1 648 . 1 1 A 55 55 ASP C C 55 176.600 176.097 0.503 2
1 649 . 1 1 A 55 55 ASP CA C 55 54.770 54.169 0.601 2
1 650 . 1 1 A 55 55 ASP CB C 55 41.190 41.293 -0.103 2
1 651 . 1 1 A 55 55 ASP N N 55 119.740 120.881 -1.141 2
1 652 . 1 1 A 56 56 VAL H H 56 9.490 9.122 0.368 2
1 653 . 1 1 A 56 56 VAL HA H 56 4.830 5.111 -0.281 2
1 661 . 1 1 A 56 56 VAL C C 56 173.940 175.589 -1.649 2
1 662 . 1 1 A 56 56 VAL CA C 56 59.350 60.064 -0.714 2
1 663 . 1 1 A 56 56 VAL CB C 56 35.270 34.855 0.415 2
1 666 . 1 1 A 56 56 VAL N N 56 114.580 117.463 -2.883 2
1 667 . 1 1 A 57 57 ILE H H 57 8.950 9.064 -0.114 2
1 668 . 1 1 A 57 57 ILE HA H 57 4.720 5.106 -0.386 2
1 678 . 1 1 A 57 57 ILE C C 57 174.290 174.732 -0.442 2
1 679 . 1 1 A 57 57 ILE CA C 57 59.480 59.478 0.002 2
1 680 . 1 1 A 57 57 ILE CB C 57 41.740 39.880 1.860 2
1 684 . 1 1 A 57 57 ILE N N 57 115.070 123.396 -8.326 2
1 685 . 1 1 A 58 58 GLY H H 58 6.750 8.900 -2.150 2
1 686 . 1 1 A 58 58 GLY HA2 H 58 4.400 4.466 -0.066 2
1 687 . 1 1 A 58 58 GLY HA3 H 58 1.260 4.466 -3.206 2
1 688 . 1 1 A 58 58 GLY C C 58 171.920 171.456 0.464 2
1 689 . 1 1 A 58 58 GLY CA C 58 43.460 43.773 -0.313 2
1 690 . 1 1 A 58 58 GLY N N 58 107.520 109.307 -1.787 2
1 691 . 1 1 A 59 59 LEU H H 59 8.850 9.611 -0.761 2
1 692 . 1 1 A 59 59 LEU HA H 59 4.680 5.102 -0.422 2
1 702 . 1 1 A 59 59 LEU C C 59 173.880 174.662 -0.782 2
1 703 . 1 1 A 59 59 LEU CA C 59 52.770 53.649 -0.879 2
1 704 . 1 1 A 59 59 LEU CB C 59 43.110 42.954 0.156 2
1 708 . 1 1 A 59 59 LEU N N 59 124.220 125.470 -1.250 2
1 709 . 1 1 A 60 60 ARG H H 60 8.650 9.106 -0.456 2
1 710 . 1 1 A 60 60 ARG HA H 60 4.800 5.076 -0.276 2
1 717 . 1 1 A 60 60 ARG C C 60 175.200 175.354 -0.154 2
1 718 . 1 1 A 60 60 ARG CA C 60 55.450 55.390 0.060 2
1 719 . 1 1 A 60 60 ARG CB C 60 31.910 31.278 0.632 2
1 722 . 1 1 A 60 60 ARG N N 60 124.310 125.272 -0.962 2
1 723 . 1 1 A 61 61 ILE H H 61 8.930 9.074 -0.144 2
1 724 . 1 1 A 61 61 ILE HA H 61 4.480 4.808 -0.328 2
1 734 . 1 1 A 61 61 ILE C C 61 176.490 175.562 0.928 2
1 735 . 1 1 A 61 61 ILE CA C 61 59.310 59.714 -0.404 2
1 736 . 1 1 A 61 61 ILE CB C 61 38.480 39.712 -1.232 2
1 740 . 1 1 A 61 61 ILE N N 61 128.290 128.773 -0.483 2
1 741 . 1 1 A 62 62 ALA H H 62 8.530 8.728 -0.198 2
1 742 . 1 1 A 62 62 ALA HA H 62 4.110 4.203 -0.093 2
1 746 . 1 1 A 62 62 ALA CA C 62 54.530 53.854 0.676 2
1 747 . 1 1 A 62 62 ALA CB C 62 18.450 18.593 -0.143 2
1 748 . 1 1 A 62 62 ALA N N 62 128.050 128.527 -0.477 2
1 749 . 1 1 A 63 63 GLY HA2 H 63 4.300 4.214 0.086 2
1 750 . 1 1 A 63 63 GLY HA3 H 63 3.740 4.214 -0.474 2
1 751 . 1 1 A 63 63 GLY C C 63 175.370 175.388 -0.018 2
1 752 . 1 1 A 63 63 GLY CA C 63 45.440 45.001 0.439 2
1 753 . 1 1 A 64 64 GLY H H 64 8.210 8.772 -0.562 2
1 754 . 1 1 A 64 64 GLY HA2 H 64 4.230 4.237 -0.007 2
1 755 . 1 1 A 64 64 GLY HA3 H 64 3.800 4.237 -0.437 2
1 756 . 1 1 A 64 64 GLY C C 64 173.750 174.543 -0.793 2
1 757 . 1 1 A 64 64 GLY CA C 64 45.330 45.071 0.259 2
1 758 . 1 1 A 64 64 GLY N N 64 107.990 109.086 -1.096 2
1 759 . 1 1 A 65 65 ALA H H 65 8.000 8.146 -0.146 2
1 760 . 1 1 A 65 65 ALA HA H 65 4.390 4.504 -0.114 2
1 764 . 1 1 A 65 65 ALA C C 65 175.600 176.538 -0.938 2
1 765 . 1 1 A 65 65 ALA CA C 65 52.440 52.552 -0.112 2
1 766 . 1 1 A 65 65 ALA CB C 65 19.990 19.748 0.242 2
1 767 . 1 1 A 65 65 ALA N N 65 125.800 123.878 1.922 2
1 768 . 1 1 A 66 66 ILE H H 66 8.000 8.903 -0.903 2
1 769 . 1 1 A 66 66 ILE HA H 66 4.700 4.809 -0.109 2
1 779 . 1 1 A 66 66 ILE C C 66 174.700 173.910 0.790 2
1 780 . 1 1 A 66 66 ILE CA C 66 60.450 60.457 -0.007 2
1 781 . 1 1 A 66 66 ILE CB C 66 40.910 40.584 0.326 2
1 785 . 1 1 A 66 66 ILE N N 66 118.150 122.263 -4.113 2
1 786 . 1 1 A 67 67 LEU H H 67 8.240 8.829 -0.589 2
1 787 . 1 1 A 67 67 LEU HA H 67 4.720 5.103 -0.383 2
1 797 . 1 1 A 67 67 LEU C C 67 174.530 174.149 0.381 2
1 798 . 1 1 A 67 67 LEU CA C 67 53.050 53.597 -0.547 2
1 799 . 1 1 A 67 67 LEU CB C 67 44.630 44.259 0.371 2
1 803 . 1 1 A 67 67 LEU N N 67 127.800 129.401 -1.601 2
1 804 . 1 1 A 68 68 TRP H H 68 9.990 9.246 0.744 2
1 805 . 1 1 A 68 68 TRP HA H 68 5.679 5.542 0.137 2
1 814 . 1 1 A 68 68 TRP C C 68 174.500 175.764 -1.264 2
1 815 . 1 1 A 68 68 TRP CA C 68 55.330 55.398 -0.068 2
1 816 . 1 1 A 68 68 TRP CB C 68 30.480 31.011 -0.531 2
1 822 . 1 1 A 68 68 TRP N N 68 129.400 127.442 1.958 2
1 824 . 1 1 A 69 69 ALA H H 69 8.830 9.094 -0.264 2
1 825 . 1 1 A 69 69 ALA HA H 69 5.240 5.248 -0.008 2
1 829 . 1 1 A 69 69 ALA C C 69 176.300 176.129 0.171 2
1 830 . 1 1 A 69 69 ALA CA C 69 49.590 50.887 -1.297 2
1 831 . 1 1 A 69 69 ALA CB C 69 22.590 23.825 -1.235 2
1 832 . 1 1 A 69 69 ALA N N 69 124.370 125.243 -0.873 2
1 833 . 1 1 A 70 70 THR H H 70 8.740 8.822 -0.082 2
1 834 . 1 1 A 70 70 THR HA H 70 5.150 4.878 0.272 2
1 839 . 1 1 A 70 70 THR CA C 70 60.950 60.474 0.476 2
1 840 . 1 1 A 70 70 THR CB C 70 68.120 68.897 -0.777 2
1 842 . 1 1 A 70 70 THR N N 70 111.540 110.829 0.711 2
1 843 . 1 1 A 71 71 PRO HA H 71 4.160 4.529 -0.369 2
1 850 . 1 1 A 71 71 PRO C C 71 176.300 176.708 -0.408 2
1 851 . 1 1 A 71 71 PRO CA C 71 64.800 65.040 -0.240 2
1 852 . 1 1 A 71 71 PRO CB C 71 31.830 31.872 -0.042 2
1 855 . 1 1 A 72 72 ASP H H 72 8.730 8.622 0.108 2
1 856 . 1 1 A 72 72 ASP HA H 72 4.500 4.844 -0.344 2
1 859 . 1 1 A 72 72 ASP C C 72 175.890 176.406 -0.516 2
1 860 . 1 1 A 72 72 ASP CA C 72 53.410 54.136 -0.726 2
1 861 . 1 1 A 72 72 ASP CB C 72 40.590 40.176 0.414 2
1 862 . 1 1 A 72 72 ASP N N 72 112.390 116.201 -3.811 2
1 863 . 1 1 A 73 73 HIS H H 73 8.340 7.756 0.584 2
1 864 . 1 1 A 73 73 HIS HA H 73 3.780 4.623 -0.843 2
1 870 . 1 1 A 73 73 HIS C C 73 176.030 175.126 0.904 2
1 871 . 1 1 A 73 73 HIS CA C 73 58.800 57.322 1.478 2
1 872 . 1 1 A 73 73 HIS CB C 73 32.920 30.711 2.209 2
1 875 . 1 1 A 73 73 HIS N N 73 125.230 121.607 3.623 2
1 878 . 1 1 A 74 74 LYS H H 74 8.410 8.737 -0.327 2
1 879 . 1 1 A 74 74 LYS HA H 74 4.640 4.729 -0.089 2
1 888 . 1 1 A 74 74 LYS C C 74 175.250 176.479 -1.229 2
1 889 . 1 1 A 74 74 LYS CA C 74 57.520 56.422 1.098 2
1 890 . 1 1 A 74 74 LYS CB C 74 33.420 33.051 0.369 2
1 894 . 1 1 A 74 74 LYS N N 74 127.600 125.604 1.996 2
1 895 . 1 1 A 75 75 VAL H H 75 9.460 9.108 0.352 2
1 896 . 1 1 A 75 75 VAL HA H 75 4.730 4.965 -0.235 2
1 904 . 1 1 A 75 75 VAL C C 75 174.260 175.079 -0.819 2
1 905 . 1 1 A 75 75 VAL CA C 75 61.300 60.990 0.310 2
1 906 . 1 1 A 75 75 VAL CB C 75 35.810 35.666 0.144 2
1 909 . 1 1 A 75 75 VAL N N 75 125.730 124.586 1.144 2
1 910 . 1 1 A 76 76 LEU H H 76 8.310 8.808 -0.498 2
1 911 . 1 1 A 76 76 LEU HA H 76 3.500 4.876 -1.376 2
1 921 . 1 1 A 76 76 LEU C C 76 174.620 175.686 -1.066 2
1 922 . 1 1 A 76 76 LEU CA C 76 55.710 54.180 1.530 2
1 923 . 1 1 A 76 76 LEU CB C 76 39.480 42.076 -2.596 2
1 927 . 1 1 A 76 76 LEU N N 76 129.880 129.771 0.109 2
1 928 . 1 1 A 77 77 THR H H 77 7.400 8.431 -1.031 2
1 929 . 1 1 A 77 77 THR HA H 77 5.290 5.093 0.197 2
1 934 . 1 1 A 77 77 THR C C 77 176.020 175.091 0.929 2
1 935 . 1 1 A 77 77 THR CA C 77 59.910 59.467 0.443 2
1 936 . 1 1 A 77 77 THR CB C 77 73.490 72.168 1.322 2
1 938 . 1 1 A 77 77 THR N N 77 116.250 117.011 -0.761 2
1 939 . 1 1 A 78 78 GLU H H 78 8.240 9.323 -1.083 2
1 940 . 1 1 A 78 78 GLU HA H 78 3.560 4.347 -0.787 2
1 945 . 1 1 A 78 78 GLU C C 78 174.860 176.049 -1.189 2
1 946 . 1 1 A 78 78 GLU CA C 78 57.890 58.007 -0.117 2
1 947 . 1 1 A 78 78 GLU CB C 78 28.860 28.427 0.433 2
1 949 . 1 1 A 78 78 GLU N N 78 120.070 119.392 0.678 2
1 950 . 1 1 A 79 79 TYR H H 79 7.750 7.957 -0.207 2
1 951 . 1 1 A 79 79 TYR HA H 79 4.770 4.839 -0.069 2
1 958 . 1 1 A 79 79 TYR C C 79 175.220 175.682 -0.462 2
1 959 . 1 1 A 79 79 TYR CA C 79 56.210 58.177 -1.967 2
1 960 . 1 1 A 79 79 TYR CB C 79 38.380 39.312 -0.932 2
1 965 . 1 1 A 79 79 TYR N N 79 117.320 117.782 -0.462 2
1 966 . 1 1 A 80 80 GLY H H 80 7.360 8.094 -0.734 2
1 967 . 1 1 A 80 80 GLY HA2 H 80 4.650 4.347 0.303 2
1 968 . 1 1 A 80 80 GLY HA3 H 80 3.550 4.347 -0.797 2
1 969 . 1 1 A 80 80 GLY C C 80 175.860 173.804 2.056 2
1 970 . 1 1 A 80 80 GLY CA C 80 43.280 44.474 -1.194 2
1 971 . 1 1 A 80 80 GLY N N 80 106.960 107.261 -0.301 2
1 972 . 1 1 A 81 81 TRP H H 81 9.070 8.466 0.604 2
1 973 . 1 1 A 81 81 TRP HA H 81 4.890 5.081 -0.191 2
1 982 . 1 1 A 81 81 TRP C C 81 177.280 176.574 0.706 2
1 983 . 1 1 A 81 81 TRP CA C 81 58.290 58.113 0.177 2
1 984 . 1 1 A 81 81 TRP CB C 81 29.720 29.842 -0.122 2
1 990 . 1 1 A 81 81 TRP N N 81 125.750 122.391 3.359 2
1 992 . 1 1 A 82 82 ARG H H 82 9.450 9.211 0.239 2
1 993 . 1 1 A 82 82 ARG HA H 82 4.780 5.108 -0.328 2
1 1000 . 1 1 A 82 82 ARG C C 82 174.420 175.569 -1.149 2
1 1001 . 1 1 A 82 82 ARG CA C 82 54.320 53.829 0.491 2
1 1002 . 1 1 A 82 82 ARG CB C 82 35.140 33.920 1.220 2
1 1005 . 1 1 A 82 82 ARG N N 82 124.680 123.400 1.280 2
1 1006 . 1 1 A 83 83 ALA H H 83 8.810 9.025 -0.215 2
1 1007 . 1 1 A 83 83 ALA HA H 83 4.310 4.623 -0.313 2
1 1011 . 1 1 A 83 83 ALA C C 83 179.020 178.598 0.422 2
1 1012 . 1 1 A 83 83 ALA CA C 83 52.390 52.537 -0.147 2
1 1013 . 1 1 A 83 83 ALA CB C 83 18.470 19.184 -0.714 2
1 1014 . 1 1 A 83 83 ALA N N 83 125.970 124.525 1.445 2
1 1015 . 1 1 A 84 84 ALA H H 84 9.350 9.154 0.196 2
1 1016 . 1 1 A 84 84 ALA HA H 84 3.930 4.168 -0.238 2
1 1020 . 1 1 A 84 84 ALA C C 84 179.880 179.456 0.424 2
1 1021 . 1 1 A 84 84 ALA CA C 84 55.630 55.255 0.375 2
1 1022 . 1 1 A 84 84 ALA CB C 84 17.790 18.348 -0.558 2
1 1023 . 1 1 A 84 84 ALA N N 84 125.850 126.350 -0.500 2
1 1024 . 1 1 A 85 85 GLY H H 85 9.730 8.779 0.951 2
1 1025 . 1 1 A 85 85 GLY HA2 H 85 3.950 4.157 -0.207 2
1 1026 . 1 1 A 85 85 GLY HA3 H 85 3.950 4.157 -0.207 2
1 1027 . 1 1 A 85 85 GLY C C 85 174.320 174.795 -0.475 2
1 1028 . 1 1 A 85 85 GLY CA C 85 46.010 46.679 -0.669 2
1 1029 . 1 1 A 85 85 GLY N N 85 102.280 104.805 -2.525 2
1 1030 . 1 1 A 86 86 GLU H H 86 8.160 8.019 0.141 2
1 1031 . 1 1 A 86 86 GLU HA H 86 4.420 4.654 -0.234 2
1 1036 . 1 1 A 86 86 GLU C C 86 176.840 176.683 0.157 2
1 1037 . 1 1 A 86 86 GLU CA C 86 55.890 56.724 -0.834 2
1 1038 . 1 1 A 86 86 GLU CB C 86 30.600 30.370 0.230 2
1 1040 . 1 1 A 86 86 GLU N N 86 117.650 118.304 -0.654 2
1 1041 . 1 1 A 87 87 LEU H H 87 7.210 7.608 -0.398 2
1 1042 . 1 1 A 87 87 LEU HA H 87 4.410 4.380 0.030 2
1 1052 . 1 1 A 87 87 LEU C C 87 176.320 176.655 -0.335 2
1 1053 . 1 1 A 87 87 LEU CA C 87 54.860 55.534 -0.674 2
1 1054 . 1 1 A 87 87 LEU CB C 87 42.020 42.455 -0.435 2
1 1058 . 1 1 A 87 87 LEU N N 87 119.800 122.382 -2.582 2
1 1059 . 1 1 A 88 88 ARG H H 88 9.130 9.210 -0.080 2
1 1060 . 1 1 A 88 88 ARG HA H 88 4.620 5.121 -0.501 2
1 1067 . 1 1 A 88 88 ARG C C 88 175.190 175.248 -0.058 2
1 1068 . 1 1 A 88 88 ARG CA C 88 53.180 53.766 -0.586 2
1 1069 . 1 1 A 88 88 ARG CB C 88 34.150 34.152 -0.002 2
1 1072 . 1 1 A 88 88 ARG N N 88 120.920 122.188 -1.268 2
1 1073 . 1 1 A 89 89 LYS H H 89 8.430 8.730 -0.300 2
1 1074 . 1 1 A 89 89 LYS HA H 89 3.670 4.101 -0.431 2
1 1083 . 1 1 A 89 89 LYS C C 89 177.410 177.296 0.114 2
1 1084 . 1 1 A 89 89 LYS CA C 89 58.360 58.197 0.163 2
1 1085 . 1 1 A 89 89 LYS CB C 89 32.320 32.100 0.220 2
1 1089 . 1 1 A 89 89 LYS N N 89 119.880 122.826 -2.946 2
1 1090 . 1 1 A 90 90 GLY H H 90 8.910 9.168 -0.258 2
1 1091 . 1 1 A 90 90 GLY HA2 H 90 4.560 4.209 0.351 2
1 1092 . 1 1 A 90 90 GLY HA3 H 90 3.430 4.209 -0.779 2
1 1093 . 1 1 A 90 90 GLY C C 90 174.710 174.121 0.589 2
1 1094 . 1 1 A 90 90 GLY CA C 90 45.080 45.036 0.044 2
1 1095 . 1 1 A 90 90 GLY N N 90 115.150 114.953 0.197 2
1 1096 . 1 1 A 91 91 ASP H H 91 8.200 8.334 -0.134 2
1 1097 . 1 1 A 91 91 ASP HA H 91 4.710 4.858 -0.148 2
1 1100 . 1 1 A 91 91 ASP C C 91 175.460 174.860 0.600 2
1 1101 . 1 1 A 91 91 ASP CA C 91 55.740 55.131 0.609 2
1 1102 . 1 1 A 91 91 ASP CB C 91 42.020 41.775 0.245 2
1 1103 . 1 1 A 91 91 ASP N N 91 121.740 121.817 -0.077 2
1 1104 . 1 1 A 92 92 ARG H H 92 8.780 8.863 -0.083 2
1 1105 . 1 1 A 92 92 ARG HA H 92 5.240 5.214 0.026 2
1 1112 . 1 1 A 92 92 ARG C C 92 176.920 175.890 1.030 2
1 1113 . 1 1 A 92 92 ARG CA C 92 55.570 54.642 0.928 2
1 1114 . 1 1 A 92 92 ARG CB C 92 32.230 33.246 -1.016 2
1 1117 . 1 1 A 92 92 ARG N N 92 117.880 122.251 -4.371 2
1 1118 . 1 1 A 93 93 VAL H H 93 8.860 9.157 -0.297 2
1 1119 . 1 1 A 93 93 VAL HA H 93 4.820 5.037 -0.217 2
1 1127 . 1 1 A 93 93 VAL C C 93 173.810 175.048 -1.238 2
1 1128 . 1 1 A 93 93 VAL CA C 93 58.770 59.633 -0.863 2
1 1129 . 1 1 A 93 93 VAL CB C 93 34.100 34.245 -0.145 2
1 1132 . 1 1 A 93 93 VAL N N 93 115.140 117.958 -2.818 2
1 1133 . 1 1 A 94 94 ALA H H 94 8.590 8.730 -0.140 2
1 1134 . 1 1 A 94 94 ALA HA H 94 4.260 4.897 -0.637 2
1 1138 . 1 1 A 94 94 ALA C C 94 175.540 177.361 -1.821 2
1 1139 . 1 1 A 94 94 ALA CA C 94 51.430 51.088 0.342 2
1 1140 . 1 1 A 94 94 ALA CB C 94 19.230 19.011 0.219 2
1 1141 . 1 1 A 94 94 ALA N N 94 126.310 124.484 1.826 2
1 1142 . 1 1 A 95 95 VAL H H 95 8.880 9.083 -0.203 2
1 1143 . 1 1 A 95 95 VAL HA H 95 5.310 5.161 0.149 2
1 1151 . 1 1 A 95 95 VAL C C 95 174.810 173.743 1.067 2
1 1152 . 1 1 A 95 95 VAL CA C 95 57.540 58.666 -1.126 2
1 1153 . 1 1 A 95 95 VAL CB C 95 35.600 35.579 0.021 2
1 1156 . 1 1 A 95 95 VAL N N 95 115.240 116.374 -1.134 2
1 1157 . 1 1 A 96 96 ARG H H 96 8.080 9.011 -0.931 2
1 1158 . 1 1 A 96 96 ARG HA H 96 4.230 5.043 -0.813 2
1 1165 . 1 1 A 96 96 ARG C C 96 175.690 175.758 -0.068 2
1 1166 . 1 1 A 96 96 ARG CA C 96 54.240 54.791 -0.551 2
1 1167 . 1 1 A 96 96 ARG CB C 96 32.140 32.062 0.078 2
1 1170 . 1 1 A 96 96 ARG N N 96 119.440 123.045 -3.605 2
1 1171 . 1 1 A 97 97 ASP H H 97 8.900 8.807 0.093 2
1 1172 . 1 1 A 97 97 ASP HA H 97 4.420 4.948 -0.528 2
1 1175 . 1 1 A 97 97 ASP C C 97 177.070 177.360 -0.290 2
1 1176 . 1 1 A 97 97 ASP CA C 97 54.480 54.595 -0.115 2
1 1177 . 1 1 A 97 97 ASP CB C 97 43.210 42.188 1.022 2
1 1178 . 1 1 A 97 97 ASP N N 97 131.240 126.474 4.766 2
1 1179 . 1 1 A 98 98 VAL H H 98 8.430 8.937 -0.507 2
1 1180 . 1 1 A 98 98 VAL HA H 98 3.490 4.177 -0.687 2
1 1188 . 1 1 A 98 98 VAL C C 98 177.240 176.959 0.281 2
1 1189 . 1 1 A 98 98 VAL CA C 98 65.200 64.605 0.595 2
1 1190 . 1 1 A 98 98 VAL CB C 98 31.650 31.750 -0.100 2
1 1193 . 1 1 A 98 98 VAL N N 98 126.180 126.821 -0.641 2
1 1194 . 1 1 A 99 99 GLU H H 99 8.190 8.157 0.033 2
1 1195 . 1 1 A 99 99 GLU HA H 99 4.120 4.601 -0.481 2
1 1200 . 1 1 A 99 99 GLU C C 99 178.400 178.377 0.023 2
1 1201 . 1 1 A 99 99 GLU CA C 99 58.700 58.056 0.644 2
1 1202 . 1 1 A 99 99 GLU CB C 99 29.950 30.719 -0.769 2
1 1204 . 1 1 A 99 99 GLU N N 99 118.940 120.965 -2.025 2
1 1205 . 1 1 A 100 100 THR H H 100 8.030 8.157 -0.127 2
1 1206 . 1 1 A 100 100 THR HA H 100 4.320 4.609 -0.289 2
1 1211 . 1 1 A 100 100 THR C C 100 176.820 176.259 0.561 2
1 1212 . 1 1 A 100 100 THR CA C 100 62.160 62.497 -0.337 2
1 1213 . 1 1 A 100 100 THR CB C 100 71.360 70.521 0.839 2
1 1215 . 1 1 A 100 100 THR N N 100 106.360 108.303 -1.943 2
1 1216 . 1 1 A 101 101 GLY H H 101 8.190 8.203 -0.013 2
1 1217 . 1 1 A 101 101 GLY HA2 H 101 4.050 4.154 -0.104 2
1 1218 . 1 1 A 101 101 GLY HA3 H 101 3.470 4.154 -0.684 2
1 1219 . 1 1 A 101 101 GLY C C 101 173.370 174.553 -1.183 2
1 1220 . 1 1 A 101 101 GLY CA C 101 45.450 45.791 -0.341 2
1 1221 . 1 1 A 101 101 GLY N N 101 111.260 111.088 0.172 2
stop_
save_