data_16505_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16505
_Entry.PDB_ID 2KKG
_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
1 297 . 1 1 1 A 59 59 GLY CA C 59 45.320 54.007 -8.687 1
1 299 . 1 1 1 A 60 60 TRP HA H 60 4.620 4.594 0.026 1
1 305 . 1 1 1 A 60 60 TRP CA C 60 57.560 62.706 -5.146 1
1 306 . 1 1 1 A 60 60 TRP CB C 60 29.600 32.606 -3.006 1
1 307 . 1 1 1 A 60 60 TRP N N 60 120.520 135.343 -14.823 1
1 308 . 1 1 1 A 61 61 GLY H H 61 8.350 7.961 0.389 1
1 310 . 1 1 1 A 61 61 GLY CA C 61 45.500 56.501 -11.001 1
1 311 . 1 1 1 A 61 61 GLY N N 61 109.850 119.057 -9.207 1
1 312 . 1 1 1 A 62 62 GLN H H 62 7.990 7.361 0.629 1
1 317 . 1 1 1 A 62 62 GLN CA C 62 53.540 45.659 7.881 1
1 320 . 1 1 1 A 62 62 GLN N N 62 119.560 107.961 11.599 1
1 328 . 1 1 1 A 63 63 PRO CA C 63 63.250 45.798 17.452 1
1 332 . 1 1 1 A 64 64 HIS H H 64 8.480 8.926 -0.446 1
1 336 . 1 1 1 A 64 64 HIS CA C 64 55.260 45.309 9.951 1
1 338 . 1 1 1 A 64 64 HIS N N 64 117.670 115.222 2.448 1
1 339 . 1 1 1 A 65 65 GLY H H 65 8.360 7.804 0.556 1
1 340 . 1 1 1 A 65 65 GLY CA C 65 45.500 57.160 -11.660 1
1 341 . 1 1 1 A 65 65 GLY N N 65 109.220 116.903 -7.683 1
1 343 . 1 1 1 A 67 67 GLY CA C 67 45.320 53.698 -8.378 1
1 345 . 1 1 1 A 68 68 TRP HA H 68 4.620 4.628 -0.008 1
1 351 . 1 1 1 A 68 68 TRP CA C 68 57.560 62.669 -5.109 1
1 352 . 1 1 1 A 68 68 TRP CB C 68 29.600 33.090 -3.490 1
1 353 . 1 1 1 A 68 68 TRP N N 68 120.520 135.307 -14.787 1
1 354 . 1 1 1 A 69 69 GLY H H 69 8.350 8.034 0.316 1
1 356 . 1 1 1 A 69 69 GLY CA C 69 45.500 55.788 -10.288 1
1 357 . 1 1 1 A 69 69 GLY N N 69 109.850 116.442 -6.592 1
1 358 . 1 1 1 A 70 70 GLN H H 70 7.990 7.328 0.662 1
1 363 . 1 1 1 A 70 70 GLN CA C 70 53.540 45.526 8.014 1
1 366 . 1 1 1 A 70 70 GLN N N 70 119.560 105.846 13.714 1
1 367 . 1 1 1 A 74 74 THR H H 74 8.010 7.418 0.592 1
1 371 . 1 1 1 A 74 74 THR CA C 74 62.180 44.942 17.238 1
1 374 . 1 1 1 A 74 74 THR N N 74 112.660 107.846 4.814 1
1 375 . 1 1 1 A 75 75 HIS H H 75 8.440 6.928 1.512 1
1 376 . 1 1 1 A 75 75 HIS HA H 75 4.720 4.324 0.396 1
1 379 . 1 1 1 A 75 75 HIS CA C 75 55.440 53.272 2.168 1
1 380 . 1 1 1 A 75 75 HIS CB C 75 28.690 29.311 -0.621 1
1 381 . 1 1 1 A 75 75 HIS N N 75 119.560 118.305 1.255 1
1 383 . 1 1 1 A 76 76 ASN HA H 76 4.670 4.673 -0.003 1
1 385 . 1 1 1 A 76 76 ASN CA C 76 53.250 62.788 -9.538 1
1 386 . 1 1 1 A 76 76 ASN CB C 76 39.050 32.650 6.400 1
1 387 . 1 1 1 A 76 76 ASN N N 76 118.870 135.289 -16.419 1
1 388 . 1 1 1 A 77 77 GLN H H 77 8.350 8.851 -0.501 1
1 389 . 1 1 1 A 77 77 GLN HA H 77 4.240 4.521 -0.281 1
1 393 . 1 1 1 A 77 77 GLN CA C 77 56.420 58.399 -1.979 1
1 394 . 1 1 1 A 77 77 GLN CB C 77 29.200 30.950 -1.750 1
1 396 . 1 1 1 A 77 77 GLN N N 77 119.470 123.133 -3.663 1
1 397 . 1 1 1 A 78 78 TRP H H 78 8.080 8.066 0.014 1
1 400 . 1 1 1 A 78 78 TRP CA C 78 57.430 45.731 11.699 1
1 402 . 1 1 1 A 78 78 TRP N N 78 120.120 105.437 14.683 1
1 403 . 1 1 1 A 79 79 ASN H H 79 8.100 7.674 0.426 1
1 406 . 1 1 1 A 79 79 ASN CA C 79 52.940 45.754 7.186 1
1 408 . 1 1 1 A 79 79 ASN N N 79 118.800 106.379 12.421 1
1 409 . 1 1 1 A 80 80 LYS H H 80 7.910 7.878 0.032 1
1 416 . 1 1 1 A 80 80 LYS CA C 80 54.390 45.311 9.079 1
1 421 . 1 1 1 A 80 80 LYS N N 80 121.480 105.049 16.431 1
1 422 . 1 1 1 A 81 81 PRO HA H 81 4.500 4.782 -0.282 1
1 427 . 1 1 1 A 81 81 PRO CA C 81 63.250 57.300 5.950 1
1 428 . 1 1 1 A 81 81 PRO CB C 81 32.180 30.136 2.044 1
1 431 . 1 1 1 A 82 82 SER H H 82 8.270 7.396 0.874 1
1 434 . 1 1 1 A 82 82 SER CA C 82 58.240 45.199 13.041 1
1 436 . 1 1 1 A 82 82 SER N N 82 115.480 108.747 6.733 1
1 437 . 1 1 1 A 83 83 LYS H H 83 8.190 6.684 1.506 1
1 438 . 1 1 1 A 83 83 LYS HA H 83 4.620 4.094 0.526 1
1 441 . 1 1 1 A 83 83 LYS CA C 83 54.300 54.085 0.215 1
1 442 . 1 1 1 A 83 83 LYS CB C 83 32.840 28.357 4.483 1
1 443 . 1 1 1 A 83 83 LYS N N 83 123.660 118.333 5.327 1
1 444 . 1 1 1 A 84 84 PRO HA H 84 4.460 4.739 -0.279 1
1 450 . 1 1 1 A 84 84 PRO CA C 84 63.460 62.876 0.584 1
1 451 . 1 1 1 A 84 84 PRO CB C 84 32.040 32.313 -0.273 1
1 454 . 1 1 1 A 85 85 LYS H H 85 7.870 8.834 -0.964 1
1 455 . 1 1 1 A 85 85 LYS HA H 85 4.210 4.513 -0.303 1
1 461 . 1 1 1 A 85 85 LYS CA C 85 57.390 58.969 -1.579 1
1 462 . 1 1 1 A 85 85 LYS CB C 85 34.180 31.226 2.954 1
1 297 . 2 1 1 A 59 59 GLY CA C 59 45.320 55.690 -10.370 1
1 299 . 2 1 1 A 60 60 TRP HA H 60 4.620 4.646 -0.026 1
1 305 . 2 1 1 A 60 60 TRP CA C 60 57.560 62.831 -5.271 1
1 306 . 2 1 1 A 60 60 TRP CB C 60 29.600 32.508 -2.908 1
1 307 . 2 1 1 A 60 60 TRP N N 60 120.520 136.333 -15.813 1
1 308 . 2 1 1 A 61 61 GLY H H 61 8.350 8.866 -0.516 1
1 310 . 2 1 1 A 61 61 GLY CA C 61 45.500 58.887 -13.387 1
1 311 . 2 1 1 A 61 61 GLY N N 61 109.850 123.692 -13.842 1
1 312 . 2 1 1 A 62 62 GLN H H 62 7.990 7.945 0.045 1
1 317 . 2 1 1 A 62 62 GLN CA C 62 53.540 45.738 7.802 1
1 320 . 2 1 1 A 62 62 GLN N N 62 119.560 105.047 14.513 1
1 328 . 2 1 1 A 63 63 PRO CA C 63 63.250 45.820 17.430 1
1 332 . 2 1 1 A 64 64 HIS H H 64 8.480 9.077 -0.597 1
1 336 . 2 1 1 A 64 64 HIS CA C 64 55.260 45.478 9.782 1
1 338 . 2 1 1 A 64 64 HIS N N 64 117.670 115.338 2.332 1
1 339 . 2 1 1 A 65 65 GLY H H 65 8.360 7.849 0.511 1
1 340 . 2 1 1 A 65 65 GLY CA C 65 45.500 57.248 -11.748 1
1 341 . 2 1 1 A 65 65 GLY N N 65 109.220 116.730 -7.510 1
1 343 . 2 1 1 A 67 67 GLY CA C 67 45.320 54.036 -8.716 1
1 345 . 2 1 1 A 68 68 TRP HA H 68 4.620 4.615 0.005 1
1 351 . 2 1 1 A 68 68 TRP CA C 68 57.560 62.699 -5.139 1
1 352 . 2 1 1 A 68 68 TRP CB C 68 29.600 32.651 -3.051 1
1 353 . 2 1 1 A 68 68 TRP N N 68 120.520 135.085 -14.565 1
1 354 . 2 1 1 A 69 69 GLY H H 69 8.350 8.202 0.148 1
1 356 . 2 1 1 A 69 69 GLY CA C 69 45.500 57.017 -11.517 1
1 357 . 2 1 1 A 69 69 GLY N N 69 109.850 118.547 -8.697 1
1 358 . 2 1 1 A 70 70 GLN H H 70 7.990 7.174 0.816 1
1 363 . 2 1 1 A 70 70 GLN CA C 70 53.540 45.539 8.001 1
1 366 . 2 1 1 A 70 70 GLN N N 70 119.560 105.992 13.568 1
1 367 . 2 1 1 A 74 74 THR H H 74 8.010 7.532 0.478 1
1 371 . 2 1 1 A 74 74 THR CA C 74 62.180 45.155 17.025 1
1 374 . 2 1 1 A 74 74 THR N N 74 112.660 108.668 3.992 1
1 375 . 2 1 1 A 75 75 HIS H H 75 8.440 6.729 1.711 1
1 376 . 2 1 1 A 75 75 HIS HA H 75 4.720 4.187 0.533 1
1 379 . 2 1 1 A 75 75 HIS CA C 75 55.440 54.156 1.284 1
1 380 . 2 1 1 A 75 75 HIS CB C 75 28.690 28.253 0.437 1
1 381 . 2 1 1 A 75 75 HIS N N 75 119.560 118.407 1.153 1
1 383 . 2 1 1 A 76 76 ASN HA H 76 4.670 4.718 -0.048 1
1 385 . 2 1 1 A 76 76 ASN CA C 76 53.250 62.741 -9.491 1
1 386 . 2 1 1 A 76 76 ASN CB C 76 39.050 33.074 5.976 1
1 387 . 2 1 1 A 76 76 ASN N N 76 118.870 135.093 -16.223 1
1 388 . 2 1 1 A 77 77 GLN H H 77 8.350 8.650 -0.300 1
1 389 . 2 1 1 A 77 77 GLN HA H 77 4.240 4.634 -0.394 1
1 393 . 2 1 1 A 77 77 GLN CA C 77 56.420 57.920 -1.500 1
1 394 . 2 1 1 A 77 77 GLN CB C 77 29.200 31.352 -2.152 1
1 396 . 2 1 1 A 77 77 GLN N N 77 119.470 120.595 -1.125 1
1 397 . 2 1 1 A 78 78 TRP H H 78 8.080 7.970 0.110 1
1 400 . 2 1 1 A 78 78 TRP CA C 78 57.430 45.745 11.685 1
1 402 . 2 1 1 A 78 78 TRP N N 78 120.120 104.607 15.513 1
1 403 . 2 1 1 A 79 79 ASN H H 79 8.100 7.970 0.130 1
1 406 . 2 1 1 A 79 79 ASN CA C 79 52.940 45.360 7.580 1
1 408 . 2 1 1 A 79 79 ASN N N 79 118.800 108.750 10.050 1
1 409 . 2 1 1 A 80 80 LYS H H 80 7.910 8.874 -0.964 1
1 416 . 2 1 1 A 80 80 LYS CA C 80 54.390 45.477 8.913 1
1 421 . 2 1 1 A 80 80 LYS N N 80 121.480 114.755 6.725 1
1 422 . 2 1 1 A 81 81 PRO HA H 81 4.500 4.863 -0.363 1
1 427 . 2 1 1 A 81 81 PRO CA C 81 63.250 57.190 6.060 1
1 428 . 2 1 1 A 81 81 PRO CB C 81 32.180 30.276 1.904 1
1 431 . 2 1 1 A 82 82 SER H H 82 8.270 7.428 0.842 1
1 434 . 2 1 1 A 82 82 SER CA C 82 58.240 45.081 13.159 1
1 436 . 2 1 1 A 82 82 SER N N 82 115.480 107.772 7.708 1
1 437 . 2 1 1 A 83 83 LYS H H 83 8.190 6.902 1.288 1
1 438 . 2 1 1 A 83 83 LYS HA H 83 4.620 4.169 0.451 1
1 441 . 2 1 1 A 83 83 LYS CA C 83 54.300 53.673 0.627 1
1 442 . 2 1 1 A 83 83 LYS CB C 83 32.840 29.096 3.744 1
1 443 . 2 1 1 A 83 83 LYS N N 83 123.660 118.260 5.400 1
1 444 . 2 1 1 A 84 84 PRO HA H 84 4.460 4.748 -0.288 1
1 450 . 2 1 1 A 84 84 PRO CA C 84 63.460 62.894 0.566 1
1 451 . 2 1 1 A 84 84 PRO CB C 84 32.040 33.051 -1.011 1
1 454 . 2 1 1 A 85 85 LYS H H 85 7.870 8.596 -0.726 1
1 455 . 2 1 1 A 85 85 LYS HA H 85 4.210 4.662 -0.452 1
1 461 . 2 1 1 A 85 85 LYS CA C 85 57.390 58.168 -0.778 1
1 462 . 2 1 1 A 85 85 LYS CB C 85 34.180 31.090 3.090 1
1 297 . 3 1 1 A 59 59 GLY CA C 59 45.320 55.503 -10.183 1
1 299 . 3 1 1 A 60 60 TRP HA H 60 4.620 4.629 -0.009 1
1 305 . 3 1 1 A 60 60 TRP CA C 60 57.560 62.696 -5.136 1
1 306 . 3 1 1 A 60 60 TRP CB C 60 29.600 32.583 -2.983 1
1 307 . 3 1 1 A 60 60 TRP N N 60 120.520 136.276 -15.756 1
1 308 . 3 1 1 A 61 61 GLY H H 61 8.350 8.805 -0.455 1
1 310 . 3 1 1 A 61 61 GLY CA C 61 45.500 58.713 -13.213 1
1 311 . 3 1 1 A 61 61 GLY N N 61 109.850 122.972 -13.122 1
1 312 . 3 1 1 A 62 62 GLN H H 62 7.990 7.478 0.512 1
1 317 . 3 1 1 A 62 62 GLN CA C 62 53.540 45.624 7.916 1
1 320 . 3 1 1 A 62 62 GLN N N 62 119.560 105.610 13.950 1
1 328 . 3 1 1 A 63 63 PRO CA C 63 63.250 46.164 17.086 1
1 332 . 3 1 1 A 64 64 HIS H H 64 8.480 7.984 0.496 1
1 336 . 3 1 1 A 64 64 HIS CA C 64 55.260 45.772 9.488 1
1 338 . 3 1 1 A 64 64 HIS N N 64 117.670 106.716 10.954 1
1 339 . 3 1 1 A 65 65 GLY H H 65 8.360 8.193 0.167 1
1 340 . 3 1 1 A 65 65 GLY CA C 65 45.500 57.293 -11.793 1
1 341 . 3 1 1 A 65 65 GLY N N 65 109.220 118.612 -9.392 1
1 343 . 3 1 1 A 67 67 GLY CA C 67 45.320 54.128 -8.808 1
1 345 . 3 1 1 A 68 68 TRP HA H 68 4.620 4.722 -0.102 1
1 351 . 3 1 1 A 68 68 TRP CA C 68 57.560 62.930 -5.370 1
1 352 . 3 1 1 A 68 68 TRP CB C 68 29.600 32.837 -3.237 1
1 353 . 3 1 1 A 68 68 TRP N N 68 120.520 135.840 -15.320 1
1 354 . 3 1 1 A 69 69 GLY H H 69 8.350 8.675 -0.325 1
1 356 . 3 1 1 A 69 69 GLY CA C 69 45.500 57.919 -12.419 1
1 357 . 3 1 1 A 69 69 GLY N N 69 109.850 122.276 -12.426 1
1 358 . 3 1 1 A 70 70 GLN H H 70 7.990 8.030 -0.040 1
1 363 . 3 1 1 A 70 70 GLN CA C 70 53.540 46.502 7.038 1
1 366 . 3 1 1 A 70 70 GLN N N 70 119.560 105.616 13.944 1
1 367 . 3 1 1 A 74 74 THR H H 74 8.010 7.419 0.591 1
1 371 . 3 1 1 A 74 74 THR CA C 74 62.180 45.021 17.159 1
1 374 . 3 1 1 A 74 74 THR N N 74 112.660 107.878 4.782 1
1 375 . 3 1 1 A 75 75 HIS H H 75 8.440 6.942 1.498 1
1 376 . 3 1 1 A 75 75 HIS HA H 75 4.720 4.305 0.415 1
1 379 . 3 1 1 A 75 75 HIS CA C 75 55.440 53.395 2.045 1
1 380 . 3 1 1 A 75 75 HIS CB C 75 28.690 29.288 -0.598 1
1 381 . 3 1 1 A 75 75 HIS N N 75 119.560 118.258 1.302 1
1 383 . 3 1 1 A 76 76 ASN HA H 76 4.670 4.698 -0.028 1
1 385 . 3 1 1 A 76 76 ASN CA C 76 53.250 62.879 -9.629 1
1 386 . 3 1 1 A 76 76 ASN CB C 76 39.050 32.628 6.422 1
1 387 . 3 1 1 A 76 76 ASN N N 76 118.870 135.293 -16.423 1
1 388 . 3 1 1 A 77 77 GLN H H 77 8.350 8.751 -0.401 1
1 389 . 3 1 1 A 77 77 GLN HA H 77 4.240 4.569 -0.329 1
1 393 . 3 1 1 A 77 77 GLN CA C 77 56.420 57.858 -1.438 1
1 394 . 3 1 1 A 77 77 GLN CB C 77 29.200 31.082 -1.882 1
1 396 . 3 1 1 A 77 77 GLN N N 77 119.470 122.843 -3.373 1
1 397 . 3 1 1 A 78 78 TRP H H 78 8.080 8.080 0.000 1
1 400 . 3 1 1 A 78 78 TRP CA C 78 57.430 45.748 11.682 1
1 402 . 3 1 1 A 78 78 TRP N N 78 120.120 105.423 14.697 1
1 403 . 3 1 1 A 79 79 ASN H H 79 8.100 7.637 0.463 1
1 406 . 3 1 1 A 79 79 ASN CA C 79 52.940 45.468 7.472 1
1 408 . 3 1 1 A 79 79 ASN N N 79 118.800 107.225 11.575 1
1 409 . 3 1 1 A 80 80 LYS H H 80 7.910 7.745 0.165 1
1 416 . 3 1 1 A 80 80 LYS CA C 80 54.390 45.892 8.498 1
1 421 . 3 1 1 A 80 80 LYS N N 80 121.480 106.450 15.030 1
1 422 . 3 1 1 A 81 81 PRO HA H 81 4.500 4.789 -0.289 1
1 427 . 3 1 1 A 81 81 PRO CA C 81 63.250 57.209 6.041 1
1 428 . 3 1 1 A 81 81 PRO CB C 81 32.180 30.086 2.094 1
1 431 . 3 1 1 A 82 82 SER H H 82 8.270 7.439 0.831 1
1 434 . 3 1 1 A 82 82 SER CA C 82 58.240 45.001 13.239 1
1 436 . 3 1 1 A 82 82 SER N N 82 115.480 107.896 7.584 1
1 437 . 3 1 1 A 83 83 LYS H H 83 8.190 6.913 1.277 1
1 438 . 3 1 1 A 83 83 LYS HA H 83 4.620 4.271 0.349 1
1 441 . 3 1 1 A 83 83 LYS CA C 83 54.300 53.544 0.756 1
1 442 . 3 1 1 A 83 83 LYS CB C 83 32.840 29.040 3.800 1
1 443 . 3 1 1 A 83 83 LYS N N 83 123.660 118.540 5.120 1
1 444 . 3 1 1 A 84 84 PRO HA H 84 4.460 4.739 -0.279 1
1 450 . 3 1 1 A 84 84 PRO CA C 84 63.460 62.688 0.772 1
1 451 . 3 1 1 A 84 84 PRO CB C 84 32.040 33.051 -1.011 1
1 454 . 3 1 1 A 85 85 LYS H H 85 7.870 8.697 -0.827 1
1 455 . 3 1 1 A 85 85 LYS HA H 85 4.210 4.496 -0.286 1
1 461 . 3 1 1 A 85 85 LYS CA C 85 57.390 58.455 -1.065 1
1 462 . 3 1 1 A 85 85 LYS CB C 85 34.180 30.881 3.299 1
1 297 . 4 1 1 A 59 59 GLY CA C 59 45.320 53.424 -8.104 1
1 299 . 4 1 1 A 60 60 TRP HA H 60 4.620 4.902 -0.282 1
1 305 . 4 1 1 A 60 60 TRP CA C 60 57.560 63.029 -5.469 1
1 306 . 4 1 1 A 60 60 TRP CB C 60 29.600 32.756 -3.156 1
1 307 . 4 1 1 A 60 60 TRP N N 60 120.520 136.274 -15.754 1
1 308 . 4 1 1 A 61 61 GLY H H 61 8.350 8.941 -0.591 1
1 310 . 4 1 1 A 61 61 GLY CA C 61 45.500 56.703 -11.203 1
1 311 . 4 1 1 A 61 61 GLY N N 61 109.850 122.379 -12.529 1
1 312 . 4 1 1 A 62 62 GLN H H 62 7.990 8.338 -0.348 1
1 317 . 4 1 1 A 62 62 GLN CA C 62 53.540 45.543 7.997 1
1 320 . 4 1 1 A 62 62 GLN N N 62 119.560 106.922 12.638 1
1 328 . 4 1 1 A 63 63 PRO CA C 63 63.250 45.354 17.896 1
1 332 . 4 1 1 A 64 64 HIS H H 64 8.480 8.860 -0.380 1
1 336 . 4 1 1 A 64 64 HIS CA C 64 55.260 45.958 9.302 1
1 338 . 4 1 1 A 64 64 HIS N N 64 117.670 108.170 9.500 1
1 339 . 4 1 1 A 65 65 GLY H H 65 8.360 7.857 0.503 1
1 340 . 4 1 1 A 65 65 GLY CA C 65 45.500 57.227 -11.727 1
1 341 . 4 1 1 A 65 65 GLY N N 65 109.220 118.711 -9.491 1
1 343 . 4 1 1 A 67 67 GLY CA C 67 45.320 54.130 -8.810 1
1 345 . 4 1 1 A 68 68 TRP HA H 68 4.620 4.505 0.115 1
1 351 . 4 1 1 A 68 68 TRP CA C 68 57.560 62.591 -5.031 1
1 352 . 4 1 1 A 68 68 TRP CB C 68 29.600 32.922 -3.322 1
1 353 . 4 1 1 A 68 68 TRP N N 68 120.520 135.279 -14.759 1
1 354 . 4 1 1 A 69 69 GLY H H 69 8.350 7.852 0.498 1
1 356 . 4 1 1 A 69 69 GLY CA C 69 45.500 55.816 -10.316 1
1 357 . 4 1 1 A 69 69 GLY N N 69 109.850 116.138 -6.288 1
1 358 . 4 1 1 A 70 70 GLN H H 70 7.990 7.649 0.341 1
1 363 . 4 1 1 A 70 70 GLN CA C 70 53.540 45.596 7.944 1
1 366 . 4 1 1 A 70 70 GLN N N 70 119.560 106.450 13.110 1
1 367 . 4 1 1 A 74 74 THR H H 74 8.010 7.418 0.592 1
1 371 . 4 1 1 A 74 74 THR CA C 74 62.180 45.178 17.002 1
1 374 . 4 1 1 A 74 74 THR N N 74 112.660 108.711 3.949 1
1 375 . 4 1 1 A 75 75 HIS H H 75 8.440 6.683 1.757 1
1 376 . 4 1 1 A 75 75 HIS HA H 75 4.720 4.049 0.671 1
1 379 . 4 1 1 A 75 75 HIS CA C 75 55.440 54.034 1.406 1
1 380 . 4 1 1 A 75 75 HIS CB C 75 28.690 28.376 0.314 1
1 381 . 4 1 1 A 75 75 HIS N N 75 119.560 118.180 1.380 1
1 383 . 4 1 1 A 76 76 ASN HA H 76 4.670 4.661 0.009 1
1 385 . 4 1 1 A 76 76 ASN CA C 76 53.250 62.790 -9.540 1
1 386 . 4 1 1 A 76 76 ASN CB C 76 39.050 32.359 6.691 1
1 387 . 4 1 1 A 76 76 ASN N N 76 118.870 135.397 -16.527 1
1 388 . 4 1 1 A 77 77 GLN H H 77 8.350 8.750 -0.400 1
1 389 . 4 1 1 A 77 77 GLN HA H 77 4.240 4.436 -0.196 1
1 393 . 4 1 1 A 77 77 GLN CA C 77 56.420 58.448 -2.028 1
1 394 . 4 1 1 A 77 77 GLN CB C 77 29.200 30.976 -1.776 1
1 396 . 4 1 1 A 77 77 GLN N N 77 119.470 122.600 -3.130 1
1 397 . 4 1 1 A 78 78 TRP H H 78 8.080 7.977 0.103 1
1 400 . 4 1 1 A 78 78 TRP CA C 78 57.430 45.792 11.638 1
1 402 . 4 1 1 A 78 78 TRP N N 78 120.120 105.183 14.937 1
1 403 . 4 1 1 A 79 79 ASN H H 79 8.100 7.521 0.579 1
1 406 . 4 1 1 A 79 79 ASN CA C 79 52.940 45.981 6.959 1
1 408 . 4 1 1 A 79 79 ASN N N 79 118.800 104.856 13.944 1
1 409 . 4 1 1 A 80 80 LYS H H 80 7.910 9.044 -1.134 1
1 416 . 4 1 1 A 80 80 LYS CA C 80 54.390 45.385 9.005 1
1 421 . 4 1 1 A 80 80 LYS N N 80 121.480 115.309 6.171 1
1 422 . 4 1 1 A 81 81 PRO HA H 81 4.500 4.876 -0.376 1
1 427 . 4 1 1 A 81 81 PRO CA C 81 63.250 57.218 6.032 1
1 428 . 4 1 1 A 81 81 PRO CB C 81 32.180 30.291 1.889 1
1 431 . 4 1 1 A 82 82 SER H H 82 8.270 7.324 0.946 1
1 434 . 4 1 1 A 82 82 SER CA C 82 58.240 45.218 13.022 1
1 436 . 4 1 1 A 82 82 SER N N 82 115.480 108.615 6.865 1
1 437 . 4 1 1 A 83 83 LYS H H 83 8.190 6.627 1.563 1
1 438 . 4 1 1 A 83 83 LYS HA H 83 4.620 4.046 0.574 1
1 441 . 4 1 1 A 83 83 LYS CA C 83 54.300 54.006 0.294 1
1 442 . 4 1 1 A 83 83 LYS CB C 83 32.840 28.282 4.558 1
1 443 . 4 1 1 A 83 83 LYS N N 83 123.660 118.225 5.435 1
1 444 . 4 1 1 A 84 84 PRO HA H 84 4.460 4.585 -0.125 1
1 450 . 4 1 1 A 84 84 PRO CA C 84 63.460 62.696 0.764 1
1 451 . 4 1 1 A 84 84 PRO CB C 84 32.040 32.632 -0.592 1
1 454 . 4 1 1 A 85 85 LYS H H 85 7.870 8.809 -0.939 1
1 455 . 4 1 1 A 85 85 LYS HA H 85 4.210 4.541 -0.331 1
1 461 . 4 1 1 A 85 85 LYS CA C 85 57.390 58.253 -0.863 1
1 462 . 4 1 1 A 85 85 LYS CB C 85 34.180 31.644 2.536 1
1 297 . 5 1 1 A 59 59 GLY CA C 59 45.320 53.228 -7.908 1
1 299 . 5 1 1 A 60 60 TRP HA H 60 4.620 4.782 -0.162 1
1 305 . 5 1 1 A 60 60 TRP CA C 60 57.560 62.997 -5.437 1
1 306 . 5 1 1 A 60 60 TRP CB C 60 29.600 32.745 -3.145 1
1 307 . 5 1 1 A 60 60 TRP N N 60 120.520 135.251 -14.731 1
1 308 . 5 1 1 A 61 61 GLY H H 61 8.350 8.840 -0.490 1
1 310 . 5 1 1 A 61 61 GLY CA C 61 45.500 58.096 -12.596 1
1 311 . 5 1 1 A 61 61 GLY N N 61 109.850 122.900 -13.050 1
1 312 . 5 1 1 A 62 62 GLN H H 62 7.990 7.969 0.021 1
1 317 . 5 1 1 A 62 62 GLN CA C 62 53.540 45.740 7.800 1
1 320 . 5 1 1 A 62 62 GLN N N 62 119.560 105.037 14.523 1
1 328 . 5 1 1 A 63 63 PRO CA C 63 63.250 45.829 17.421 1
1 332 . 5 1 1 A 64 64 HIS H H 64 8.480 9.033 -0.553 1
1 336 . 5 1 1 A 64 64 HIS CA C 64 55.260 45.474 9.786 1
1 338 . 5 1 1 A 64 64 HIS N N 64 117.670 115.345 2.325 1
1 339 . 5 1 1 A 65 65 GLY H H 65 8.360 7.853 0.507 1
1 340 . 5 1 1 A 65 65 GLY CA C 65 45.500 57.260 -11.760 1
1 341 . 5 1 1 A 65 65 GLY N N 65 109.220 116.735 -7.515 1
1 343 . 5 1 1 A 67 67 GLY CA C 67 45.320 54.180 -8.860 1
1 345 . 5 1 1 A 68 68 TRP HA H 68 4.620 4.673 -0.053 1
1 351 . 5 1 1 A 68 68 TRP CA C 68 57.560 62.796 -5.236 1
1 352 . 5 1 1 A 68 68 TRP CB C 68 29.600 32.617 -3.017 1
1 353 . 5 1 1 A 68 68 TRP N N 68 120.520 136.754 -16.234 1
1 354 . 5 1 1 A 69 69 GLY H H 69 8.350 8.287 0.063 1
1 356 . 5 1 1 A 69 69 GLY CA C 69 45.500 54.088 -8.588 1
1 357 . 5 1 1 A 69 69 GLY N N 69 109.850 117.627 -7.777 1
1 358 . 5 1 1 A 70 70 GLN H H 70 7.990 8.690 -0.700 1
1 363 . 5 1 1 A 70 70 GLN CA C 70 53.540 45.160 8.380 1
1 366 . 5 1 1 A 70 70 GLN N N 70 119.560 113.421 6.139 1
1 367 . 5 1 1 A 74 74 THR H H 74 8.010 7.627 0.383 1
1 371 . 5 1 1 A 74 74 THR CA C 74 62.180 45.208 16.972 1
1 374 . 5 1 1 A 74 74 THR N N 74 112.660 108.715 3.945 1
1 375 . 5 1 1 A 75 75 HIS H H 75 8.440 6.852 1.588 1
1 376 . 5 1 1 A 75 75 HIS HA H 75 4.720 4.126 0.594 1
1 379 . 5 1 1 A 75 75 HIS CA C 75 55.440 54.068 1.372 1
1 380 . 5 1 1 A 75 75 HIS CB C 75 28.690 28.237 0.453 1
1 381 . 5 1 1 A 75 75 HIS N N 75 119.560 118.556 1.004 1
1 383 . 5 1 1 A 76 76 ASN HA H 76 4.670 4.588 0.082 1
1 385 . 5 1 1 A 76 76 ASN CA C 76 53.250 62.414 -9.164 1
1 386 . 5 1 1 A 76 76 ASN CB C 76 39.050 33.059 5.991 1
1 387 . 5 1 1 A 76 76 ASN N N 76 118.870 136.571 -17.701 1
1 388 . 5 1 1 A 77 77 GLN H H 77 8.350 8.582 -0.232 1
1 389 . 5 1 1 A 77 77 GLN HA H 77 4.240 4.815 -0.575 1
1 393 . 5 1 1 A 77 77 GLN CA C 77 56.420 54.820 1.600 1
1 394 . 5 1 1 A 77 77 GLN CB C 77 29.200 30.562 -1.362 1
1 396 . 5 1 1 A 77 77 GLN N N 77 119.470 120.440 -0.970 1
1 397 . 5 1 1 A 78 78 TRP H H 78 8.080 8.673 -0.593 1
1 400 . 5 1 1 A 78 78 TRP CA C 78 57.430 45.191 12.239 1
1 402 . 5 1 1 A 78 78 TRP N N 78 120.120 111.771 8.349 1
1 403 . 5 1 1 A 79 79 ASN H H 79 8.100 8.071 0.029 1
1 406 . 5 1 1 A 79 79 ASN CA C 79 52.940 45.280 7.660 1
1 408 . 5 1 1 A 79 79 ASN N N 79 118.800 107.961 10.839 1
1 409 . 5 1 1 A 80 80 LYS H H 80 7.910 8.884 -0.974 1
1 416 . 5 1 1 A 80 80 LYS CA C 80 54.390 45.720 8.670 1
1 421 . 5 1 1 A 80 80 LYS N N 80 121.480 115.118 6.362 1
1 422 . 5 1 1 A 81 81 PRO HA H 81 4.500 4.797 -0.297 1
1 427 . 5 1 1 A 81 81 PRO CA C 81 63.250 57.311 5.939 1
1 428 . 5 1 1 A 81 81 PRO CB C 81 32.180 30.179 2.001 1
1 431 . 5 1 1 A 82 82 SER H H 82 8.270 7.452 0.818 1
1 434 . 5 1 1 A 82 82 SER CA C 82 58.240 45.218 13.022 1
1 436 . 5 1 1 A 82 82 SER N N 82 115.480 108.860 6.620 1
1 437 . 5 1 1 A 83 83 LYS H H 83 8.190 6.757 1.433 1
1 438 . 5 1 1 A 83 83 LYS HA H 83 4.620 4.138 0.482 1
1 441 . 5 1 1 A 83 83 LYS CA C 83 54.300 54.089 0.211 1
1 442 . 5 1 1 A 83 83 LYS CB C 83 32.840 28.332 4.508 1
1 443 . 5 1 1 A 83 83 LYS N N 83 123.660 118.364 5.296 1
1 444 . 5 1 1 A 84 84 PRO HA H 84 4.460 4.674 -0.214 1
1 450 . 5 1 1 A 84 84 PRO CA C 84 63.460 62.839 0.621 1
1 451 . 5 1 1 A 84 84 PRO CB C 84 32.040 32.355 -0.315 1
1 454 . 5 1 1 A 85 85 LYS H H 85 7.870 8.848 -0.978 1
1 455 . 5 1 1 A 85 85 LYS HA H 85 4.210 4.465 -0.255 1
1 461 . 5 1 1 A 85 85 LYS CA C 85 57.390 58.787 -1.397 1
1 462 . 5 1 1 A 85 85 LYS CB C 85 34.180 30.944 3.236 1
1 297 . 6 1 1 A 59 59 GLY CA C 59 45.320 53.931 -8.611 1
1 299 . 6 1 1 A 60 60 TRP HA H 60 4.620 4.694 -0.074 1
1 305 . 6 1 1 A 60 60 TRP CA C 60 57.560 62.862 -5.302 1
1 306 . 6 1 1 A 60 60 TRP CB C 60 29.600 32.601 -3.001 1
1 307 . 6 1 1 A 60 60 TRP N N 60 120.520 135.363 -14.843 1
1 308 . 6 1 1 A 61 61 GLY H H 61 8.350 8.890 -0.540 1
1 310 . 6 1 1 A 61 61 GLY CA C 61 45.500 58.475 -12.975 1
1 311 . 6 1 1 A 61 61 GLY N N 61 109.850 122.962 -13.112 1
1 312 . 6 1 1 A 62 62 GLN H H 62 7.990 7.898 0.092 1
1 317 . 6 1 1 A 62 62 GLN CA C 62 53.540 45.742 7.798 1
1 320 . 6 1 1 A 62 62 GLN N N 62 119.560 105.091 14.469 1
1 328 . 6 1 1 A 63 63 PRO CA C 63 63.250 45.807 17.443 1
1 332 . 6 1 1 A 64 64 HIS H H 64 8.480 9.018 -0.538 1
1 336 . 6 1 1 A 64 64 HIS CA C 64 55.260 45.411 9.849 1
1 338 . 6 1 1 A 64 64 HIS N N 64 117.670 115.279 2.391 1
1 339 . 6 1 1 A 65 65 GLY H H 65 8.360 7.772 0.588 1
1 340 . 6 1 1 A 65 65 GLY CA C 65 45.500 57.199 -11.699 1
1 341 . 6 1 1 A 65 65 GLY N N 65 109.220 116.669 -7.449 1
1 343 . 6 1 1 A 67 67 GLY CA C 67 45.320 54.082 -8.762 1
1 345 . 6 1 1 A 68 68 TRP HA H 68 4.620 4.658 -0.038 1
1 351 . 6 1 1 A 68 68 TRP CA C 68 57.560 62.765 -5.205 1
1 352 . 6 1 1 A 68 68 TRP CB C 68 29.600 32.649 -3.049 1
1 353 . 6 1 1 A 68 68 TRP N N 68 120.520 135.175 -14.655 1
1 354 . 6 1 1 A 69 69 GLY H H 69 8.350 8.722 -0.372 1
1 356 . 6 1 1 A 69 69 GLY CA C 69 45.500 58.098 -12.598 1
1 357 . 6 1 1 A 69 69 GLY N N 69 109.850 122.586 -12.736 1
1 358 . 6 1 1 A 70 70 GLN H H 70 7.990 7.715 0.275 1
1 363 . 6 1 1 A 70 70 GLN CA C 70 53.540 45.540 8.000 1
1 366 . 6 1 1 A 70 70 GLN N N 70 119.560 105.196 14.364 1
1 367 . 6 1 1 A 74 74 THR H H 74 8.010 7.498 0.512 1
1 371 . 6 1 1 A 74 74 THR CA C 74 62.180 45.002 17.178 1
1 374 . 6 1 1 A 74 74 THR N N 74 112.660 108.232 4.428 1
1 375 . 6 1 1 A 75 75 HIS H H 75 8.440 6.714 1.726 1
1 376 . 6 1 1 A 75 75 HIS HA H 75 4.720 3.841 0.879 1
1 379 . 6 1 1 A 75 75 HIS CA C 75 55.440 53.961 1.479 1
1 380 . 6 1 1 A 75 75 HIS CB C 75 28.690 28.231 0.459 1
1 381 . 6 1 1 A 75 75 HIS N N 75 119.560 118.746 0.814 1
1 383 . 6 1 1 A 76 76 ASN HA H 76 4.670 4.690 -0.020 1
1 385 . 6 1 1 A 76 76 ASN CA C 76 53.250 62.796 -9.546 1
1 386 . 6 1 1 A 76 76 ASN CB C 76 39.050 32.758 6.292 1
1 387 . 6 1 1 A 76 76 ASN N N 76 118.870 135.559 -16.689 1
1 388 . 6 1 1 A 77 77 GLN H H 77 8.350 8.651 -0.301 1
1 389 . 6 1 1 A 77 77 GLN HA H 77 4.240 4.560 -0.320 1
1 393 . 6 1 1 A 77 77 GLN CA C 77 56.420 57.972 -1.552 1
1 394 . 6 1 1 A 77 77 GLN CB C 77 29.200 31.286 -2.086 1
1 396 . 6 1 1 A 77 77 GLN N N 77 119.470 122.565 -3.095 1
1 397 . 6 1 1 A 78 78 TRP H H 78 8.080 7.725 0.355 1
1 400 . 6 1 1 A 78 78 TRP CA C 78 57.430 45.541 11.889 1
1 402 . 6 1 1 A 78 78 TRP N N 78 120.120 105.196 14.924 1
1 403 . 6 1 1 A 79 79 ASN H H 79 8.100 7.559 0.541 1
1 406 . 6 1 1 A 79 79 ASN CA C 79 52.940 46.124 6.816 1
1 408 . 6 1 1 A 79 79 ASN N N 79 118.800 107.057 11.743 1
1 409 . 6 1 1 A 80 80 LYS H H 80 7.910 8.663 -0.753 1
1 416 . 6 1 1 A 80 80 LYS CA C 80 54.390 44.156 10.234 1
1 421 . 6 1 1 A 80 80 LYS N N 80 121.480 112.144 9.336 1
1 422 . 6 1 1 A 81 81 PRO HA H 81 4.500 4.817 -0.317 1
1 427 . 6 1 1 A 81 81 PRO CA C 81 63.250 57.314 5.936 1
1 428 . 6 1 1 A 81 81 PRO CB C 81 32.180 30.053 2.127 1
1 431 . 6 1 1 A 82 82 SER H H 82 8.270 7.597 0.673 1
1 434 . 6 1 1 A 82 82 SER CA C 82 58.240 45.172 13.068 1
1 436 . 6 1 1 A 82 82 SER N N 82 115.480 108.821 6.659 1
1 437 . 6 1 1 A 83 83 LYS H H 83 8.190 6.735 1.455 1
1 438 . 6 1 1 A 83 83 LYS HA H 83 4.620 4.184 0.436 1
1 441 . 6 1 1 A 83 83 LYS CA C 83 54.300 54.164 0.136 1
1 442 . 6 1 1 A 83 83 LYS CB C 83 32.840 28.265 4.575 1
1 443 . 6 1 1 A 83 83 LYS N N 83 123.660 118.429 5.231 1
1 444 . 6 1 1 A 84 84 PRO HA H 84 4.460 4.753 -0.293 1
1 450 . 6 1 1 A 84 84 PRO CA C 84 63.460 62.780 0.680 1
1 451 . 6 1 1 A 84 84 PRO CB C 84 32.040 33.469 -1.429 1
1 454 . 6 1 1 A 85 85 LYS H H 85 7.870 9.079 -1.209 1
1 455 . 6 1 1 A 85 85 LYS HA H 85 4.210 4.599 -0.389 1
1 461 . 6 1 1 A 85 85 LYS CA C 85 57.390 56.750 0.640 1
1 462 . 6 1 1 A 85 85 LYS CB C 85 34.180 31.965 2.215 1
1 297 . 7 1 1 A 59 59 GLY CA C 59 45.320 55.323 -10.003 1
1 299 . 7 1 1 A 60 60 TRP HA H 60 4.620 4.592 0.028 1
1 305 . 7 1 1 A 60 60 TRP CA C 60 57.560 62.819 -5.259 1
1 306 . 7 1 1 A 60 60 TRP CB C 60 29.600 32.002 -2.402 1
1 307 . 7 1 1 A 60 60 TRP N N 60 120.520 136.108 -15.588 1
1 308 . 7 1 1 A 61 61 GLY H H 61 8.350 8.895 -0.545 1
1 310 . 7 1 1 A 61 61 GLY CA C 61 45.500 56.336 -10.836 1
1 311 . 7 1 1 A 61 61 GLY N N 61 109.850 119.823 -9.973 1
1 312 . 7 1 1 A 62 62 GLN H H 62 7.990 7.558 0.432 1
1 317 . 7 1 1 A 62 62 GLN CA C 62 53.540 45.473 8.067 1
1 320 . 7 1 1 A 62 62 GLN N N 62 119.560 105.855 13.705 1
1 328 . 7 1 1 A 63 63 PRO CA C 63 63.250 45.925 17.325 1
1 332 . 7 1 1 A 64 64 HIS H H 64 8.480 8.606 -0.126 1
1 336 . 7 1 1 A 64 64 HIS CA C 64 55.260 45.008 10.252 1
1 338 . 7 1 1 A 64 64 HIS N N 64 117.670 111.234 6.436 1
1 339 . 7 1 1 A 65 65 GLY H H 65 8.360 8.280 0.080 1
1 340 . 7 1 1 A 65 65 GLY CA C 65 45.500 57.197 -11.697 1
1 341 . 7 1 1 A 65 65 GLY N N 65 109.220 118.749 -9.529 1
1 343 . 7 1 1 A 67 67 GLY CA C 67 45.320 53.762 -8.442 1
1 345 . 7 1 1 A 68 68 TRP HA H 68 4.620 4.644 -0.024 1
1 351 . 7 1 1 A 68 68 TRP CA C 68 57.560 62.725 -5.165 1
1 352 . 7 1 1 A 68 68 TRP CB C 68 29.600 32.483 -2.883 1
1 353 . 7 1 1 A 68 68 TRP N N 68 120.520 136.182 -15.662 1
1 354 . 7 1 1 A 69 69 GLY H H 69 8.350 8.296 0.054 1
1 356 . 7 1 1 A 69 69 GLY CA C 69 45.500 54.106 -8.606 1
1 357 . 7 1 1 A 69 69 GLY N N 69 109.850 117.789 -7.939 1
1 358 . 7 1 1 A 70 70 GLN H H 70 7.990 8.862 -0.872 1
1 363 . 7 1 1 A 70 70 GLN CA C 70 53.540 45.223 8.317 1
1 366 . 7 1 1 A 70 70 GLN N N 70 119.560 113.187 6.373 1
1 367 . 7 1 1 A 74 74 THR H H 74 8.010 7.396 0.614 1
1 371 . 7 1 1 A 74 74 THR CA C 74 62.180 44.951 17.229 1
1 374 . 7 1 1 A 74 74 THR N N 74 112.660 108.025 4.635 1
1 375 . 7 1 1 A 75 75 HIS H H 75 8.440 6.902 1.538 1
1 376 . 7 1 1 A 75 75 HIS HA H 75 4.720 4.067 0.653 1
1 379 . 7 1 1 A 75 75 HIS CA C 75 55.440 53.315 2.125 1
1 380 . 7 1 1 A 75 75 HIS CB C 75 28.690 29.152 -0.462 1
1 381 . 7 1 1 A 75 75 HIS N N 75 119.560 118.345 1.215 1
1 383 . 7 1 1 A 76 76 ASN HA H 76 4.670 4.725 -0.055 1
1 385 . 7 1 1 A 76 76 ASN CA C 76 53.250 62.861 -9.611 1
1 386 . 7 1 1 A 76 76 ASN CB C 76 39.050 32.700 6.350 1
1 387 . 7 1 1 A 76 76 ASN N N 76 118.870 135.937 -17.067 1
1 388 . 7 1 1 A 77 77 GLN H H 77 8.350 8.751 -0.401 1
1 389 . 7 1 1 A 77 77 GLN HA H 77 4.240 4.663 -0.423 1
1 393 . 7 1 1 A 77 77 GLN CA C 77 56.420 56.520 -0.100 1
1 394 . 7 1 1 A 77 77 GLN CB C 77 29.200 30.236 -1.036 1
1 396 . 7 1 1 A 77 77 GLN N N 77 119.470 122.580 -3.110 1
1 397 . 7 1 1 A 78 78 TRP H H 78 8.080 7.795 0.285 1
1 400 . 7 1 1 A 78 78 TRP CA C 78 57.430 45.389 12.041 1
1 402 . 7 1 1 A 78 78 TRP N N 78 120.120 106.387 13.733 1
1 403 . 7 1 1 A 79 79 ASN H H 79 8.100 8.032 0.068 1
1 406 . 7 1 1 A 79 79 ASN CA C 79 52.940 46.204 6.736 1
1 408 . 7 1 1 A 79 79 ASN N N 79 118.800 106.325 12.475 1
1 409 . 7 1 1 A 80 80 LYS H H 80 7.910 7.832 0.078 1
1 416 . 7 1 1 A 80 80 LYS CA C 80 54.390 46.091 8.299 1
1 421 . 7 1 1 A 80 80 LYS N N 80 121.480 104.917 16.563 1
1 422 . 7 1 1 A 81 81 PRO HA H 81 4.500 4.762 -0.262 1
1 427 . 7 1 1 A 81 81 PRO CA C 81 63.250 57.286 5.964 1
1 428 . 7 1 1 A 81 81 PRO CB C 81 32.180 30.041 2.139 1
1 431 . 7 1 1 A 82 82 SER H H 82 8.270 7.434 0.836 1
1 434 . 7 1 1 A 82 82 SER CA C 82 58.240 45.255 12.985 1
1 436 . 7 1 1 A 82 82 SER N N 82 115.480 108.775 6.705 1
1 437 . 7 1 1 A 83 83 LYS H H 83 8.190 6.660 1.530 1
1 438 . 7 1 1 A 83 83 LYS HA H 83 4.620 4.138 0.482 1
1 441 . 7 1 1 A 83 83 LYS CA C 83 54.300 53.996 0.304 1
1 442 . 7 1 1 A 83 83 LYS CB C 83 32.840 28.410 4.430 1
1 443 . 7 1 1 A 83 83 LYS N N 83 123.660 118.354 5.306 1
1 444 . 7 1 1 A 84 84 PRO HA H 84 4.460 4.635 -0.175 1
1 450 . 7 1 1 A 84 84 PRO CA C 84 63.460 62.552 0.908 1
1 451 . 7 1 1 A 84 84 PRO CB C 84 32.040 33.513 -1.473 1
1 454 . 7 1 1 A 85 85 LYS H H 85 7.870 8.128 -0.258 1
1 455 . 7 1 1 A 85 85 LYS HA H 85 4.210 4.579 -0.369 1
1 461 . 7 1 1 A 85 85 LYS CA C 85 57.390 56.216 1.174 1
1 462 . 7 1 1 A 85 85 LYS CB C 85 34.180 31.015 3.165 1
1 297 . 8 1 1 A 59 59 GLY CA C 59 45.320 55.780 -10.460 1
1 299 . 8 1 1 A 60 60 TRP HA H 60 4.620 4.640 -0.020 1
1 305 . 8 1 1 A 60 60 TRP CA C 60 57.560 62.868 -5.308 1
1 306 . 8 1 1 A 60 60 TRP CB C 60 29.600 32.831 -3.231 1
1 307 . 8 1 1 A 60 60 TRP N N 60 120.520 136.536 -16.016 1
1 308 . 8 1 1 A 61 61 GLY H H 61 8.350 8.772 -0.422 1
1 310 . 8 1 1 A 61 61 GLY CA C 61 45.500 58.157 -12.657 1
1 311 . 8 1 1 A 61 61 GLY N N 61 109.850 120.430 -10.580 1
1 312 . 8 1 1 A 62 62 GLN H H 62 7.990 7.556 0.434 1
1 317 . 8 1 1 A 62 62 GLN CA C 62 53.540 45.481 8.059 1
1 320 . 8 1 1 A 62 62 GLN N N 62 119.560 106.021 13.539 1
1 328 . 8 1 1 A 63 63 PRO CA C 63 63.250 45.354 17.896 1
1 332 . 8 1 1 A 64 64 HIS H H 64 8.480 8.828 -0.348 1
1 336 . 8 1 1 A 64 64 HIS CA C 64 55.260 46.021 9.239 1
1 338 . 8 1 1 A 64 64 HIS N N 64 117.670 107.883 9.787 1
1 339 . 8 1 1 A 65 65 GLY H H 65 8.360 7.884 0.476 1
1 340 . 8 1 1 A 65 65 GLY CA C 65 45.500 57.257 -11.757 1
1 341 . 8 1 1 A 65 65 GLY N N 65 109.220 118.920 -9.700 1
1 343 . 8 1 1 A 67 67 GLY CA C 67 45.320 54.006 -8.686 1
1 345 . 8 1 1 A 68 68 TRP HA H 68 4.620 4.618 0.002 1
1 351 . 8 1 1 A 68 68 TRP CA C 68 57.560 62.908 -5.348 1
1 352 . 8 1 1 A 68 68 TRP CB C 68 29.600 32.190 -2.590 1
1 353 . 8 1 1 A 68 68 TRP N N 68 120.520 136.070 -15.550 1
1 354 . 8 1 1 A 69 69 GLY H H 69 8.350 8.702 -0.352 1
1 356 . 8 1 1 A 69 69 GLY CA C 69 45.500 56.065 -10.565 1
1 357 . 8 1 1 A 69 69 GLY N N 69 109.850 121.884 -12.034 1
1 358 . 8 1 1 A 70 70 GLN H H 70 7.990 7.545 0.445 1
1 363 . 8 1 1 A 70 70 GLN CA C 70 53.540 45.673 7.867 1
1 366 . 8 1 1 A 70 70 GLN N N 70 119.560 106.224 13.336 1
1 367 . 8 1 1 A 74 74 THR H H 74 8.010 7.490 0.520 1
1 371 . 8 1 1 A 74 74 THR CA C 74 62.180 45.373 16.807 1
1 374 . 8 1 1 A 74 74 THR N N 74 112.660 109.050 3.610 1
1 375 . 8 1 1 A 75 75 HIS H H 75 8.440 6.770 1.670 1
1 376 . 8 1 1 A 75 75 HIS HA H 75 4.720 4.108 0.612 1
1 379 . 8 1 1 A 75 75 HIS CA C 75 55.440 54.083 1.357 1
1 380 . 8 1 1 A 75 75 HIS CB C 75 28.690 28.333 0.357 1
1 381 . 8 1 1 A 75 75 HIS N N 75 119.560 118.305 1.255 1
1 383 . 8 1 1 A 76 76 ASN HA H 76 4.670 4.682 -0.012 1
1 385 . 8 1 1 A 76 76 ASN CA C 76 53.250 62.931 -9.681 1
1 386 . 8 1 1 A 76 76 ASN CB C 76 39.050 32.794 6.256 1
1 387 . 8 1 1 A 76 76 ASN N N 76 118.870 135.817 -16.947 1
1 388 . 8 1 1 A 77 77 GLN H H 77 8.350 8.120 0.230 1
1 389 . 8 1 1 A 77 77 GLN HA H 77 4.240 4.683 -0.443 1
1 393 . 8 1 1 A 77 77 GLN CA C 77 56.420 55.911 0.509 1
1 394 . 8 1 1 A 77 77 GLN CB C 77 29.200 31.084 -1.884 1
1 396 . 8 1 1 A 77 77 GLN N N 77 119.470 117.072 2.398 1
1 397 . 8 1 1 A 78 78 TRP H H 78 8.080 7.462 0.618 1
1 400 . 8 1 1 A 78 78 TRP CA C 78 57.430 46.153 11.277 1
1 402 . 8 1 1 A 78 78 TRP N N 78 120.120 108.116 12.004 1
1 403 . 8 1 1 A 79 79 ASN H H 79 8.100 7.395 0.705 1
1 406 . 8 1 1 A 79 79 ASN CA C 79 52.940 45.567 7.373 1
1 408 . 8 1 1 A 79 79 ASN N N 79 118.800 104.792 14.008 1
1 409 . 8 1 1 A 80 80 LYS H H 80 7.910 7.298 0.612 1
1 416 . 8 1 1 A 80 80 LYS CA C 80 54.390 44.644 9.746 1
1 421 . 8 1 1 A 80 80 LYS N N 80 121.480 106.329 15.151 1
1 422 . 8 1 1 A 81 81 PRO HA H 81 4.500 4.784 -0.284 1
1 427 . 8 1 1 A 81 81 PRO CA C 81 63.250 57.294 5.956 1
1 428 . 8 1 1 A 81 81 PRO CB C 81 32.180 30.191 1.989 1
1 431 . 8 1 1 A 82 82 SER H H 82 8.270 7.517 0.753 1
1 434 . 8 1 1 A 82 82 SER CA C 82 58.240 45.297 12.943 1
1 436 . 8 1 1 A 82 82 SER N N 82 115.480 109.233 6.247 1
1 437 . 8 1 1 A 83 83 LYS H H 83 8.190 6.778 1.412 1
1 438 . 8 1 1 A 83 83 LYS HA H 83 4.620 4.121 0.499 1
1 441 . 8 1 1 A 83 83 LYS CA C 83 54.300 54.147 0.153 1
1 442 . 8 1 1 A 83 83 LYS CB C 83 32.840 28.353 4.487 1
1 443 . 8 1 1 A 83 83 LYS N N 83 123.660 118.411 5.249 1
1 444 . 8 1 1 A 84 84 PRO HA H 84 4.460 4.746 -0.286 1
1 450 . 8 1 1 A 84 84 PRO CA C 84 63.460 62.966 0.494 1
1 451 . 8 1 1 A 84 84 PRO CB C 84 32.040 32.948 -0.908 1
1 454 . 8 1 1 A 85 85 LYS H H 85 7.870 8.587 -0.717 1
1 455 . 8 1 1 A 85 85 LYS HA H 85 4.210 4.632 -0.422 1
1 461 . 8 1 1 A 85 85 LYS CA C 85 57.390 58.075 -0.685 1
1 462 . 8 1 1 A 85 85 LYS CB C 85 34.180 31.273 2.907 1
1 297 . 9 1 1 A 59 59 GLY CA C 59 45.320 53.401 -8.081 1
1 299 . 9 1 1 A 60 60 TRP HA H 60 4.620 4.938 -0.318 1
1 305 . 9 1 1 A 60 60 TRP CA C 60 57.560 62.885 -5.325 1
1 306 . 9 1 1 A 60 60 TRP CB C 60 29.600 32.450 -2.850 1
1 307 . 9 1 1 A 60 60 TRP N N 60 120.520 135.247 -14.727 1
1 308 . 9 1 1 A 61 61 GLY H H 61 8.350 9.003 -0.653 1
1 310 . 9 1 1 A 61 61 GLY CA C 61 45.500 56.766 -11.266 1
1 311 . 9 1 1 A 61 61 GLY N N 61 109.850 122.177 -12.327 1
1 312 . 9 1 1 A 62 62 GLN H H 62 7.990 7.796 0.194 1
1 317 . 9 1 1 A 62 62 GLN CA C 62 53.540 45.268 8.272 1
1 320 . 9 1 1 A 62 62 GLN N N 62 119.560 106.515 13.045 1
1 328 . 9 1 1 A 63 63 PRO CA C 63 63.250 46.198 17.052 1
1 332 . 9 1 1 A 64 64 HIS H H 64 8.480 8.251 0.229 1
1 336 . 9 1 1 A 64 64 HIS CA C 64 55.260 45.873 9.387 1
1 338 . 9 1 1 A 64 64 HIS N N 64 117.670 107.784 9.886 1
1 339 . 9 1 1 A 65 65 GLY H H 65 8.360 8.289 0.071 1
1 340 . 9 1 1 A 65 65 GLY CA C 65 45.500 57.328 -11.828 1
1 341 . 9 1 1 A 65 65 GLY N N 65 109.220 118.554 -9.334 1
1 343 . 9 1 1 A 67 67 GLY CA C 67 45.320 53.595 -8.275 1
1 345 . 9 1 1 A 68 68 TRP HA H 68 4.620 4.714 -0.094 1
1 351 . 9 1 1 A 68 68 TRP CA C 68 57.560 62.774 -5.214 1
1 352 . 9 1 1 A 68 68 TRP CB C 68 29.600 33.072 -3.472 1
1 353 . 9 1 1 A 68 68 TRP N N 68 120.520 135.538 -15.018 1
1 354 . 9 1 1 A 69 69 GLY H H 69 8.350 8.693 -0.343 1
1 356 . 9 1 1 A 69 69 GLY CA C 69 45.500 57.825 -12.325 1
1 357 . 9 1 1 A 69 69 GLY N N 69 109.850 121.839 -11.989 1
1 358 . 9 1 1 A 70 70 GLN H H 70 7.990 7.850 0.140 1
1 363 . 9 1 1 A 70 70 GLN CA C 70 53.540 45.562 7.978 1
1 366 . 9 1 1 A 70 70 GLN N N 70 119.560 104.468 15.092 1
1 367 . 9 1 1 A 74 74 THR H H 74 8.010 7.374 0.636 1
1 371 . 9 1 1 A 74 74 THR CA C 74 62.180 45.003 17.177 1
1 374 . 9 1 1 A 74 74 THR N N 74 112.660 107.718 4.942 1
1 375 . 9 1 1 A 75 75 HIS H H 75 8.440 6.854 1.586 1
1 376 . 9 1 1 A 75 75 HIS HA H 75 4.720 3.951 0.769 1
1 379 . 9 1 1 A 75 75 HIS CA C 75 55.440 53.482 1.958 1
1 380 . 9 1 1 A 75 75 HIS CB C 75 28.690 28.769 -0.079 1
1 381 . 9 1 1 A 75 75 HIS N N 75 119.560 118.175 1.385 1
1 383 . 9 1 1 A 76 76 ASN HA H 76 4.670 4.711 -0.041 1
1 385 . 9 1 1 A 76 76 ASN CA C 76 53.250 62.782 -9.532 1
1 386 . 9 1 1 A 76 76 ASN CB C 76 39.050 32.894 6.156 1
1 387 . 9 1 1 A 76 76 ASN N N 76 118.870 135.008 -16.138 1
1 388 . 9 1 1 A 77 77 GLN H H 77 8.350 8.692 -0.342 1
1 389 . 9 1 1 A 77 77 GLN HA H 77 4.240 4.564 -0.324 1
1 393 . 9 1 1 A 77 77 GLN CA C 77 56.420 58.146 -1.726 1
1 394 . 9 1 1 A 77 77 GLN CB C 77 29.200 31.201 -2.001 1
1 396 . 9 1 1 A 77 77 GLN N N 77 119.470 122.128 -2.658 1
1 397 . 9 1 1 A 78 78 TRP H H 78 8.080 7.739 0.341 1
1 400 . 9 1 1 A 78 78 TRP CA C 78 57.430 45.547 11.883 1
1 402 . 9 1 1 A 78 78 TRP N N 78 120.120 105.194 14.926 1
1 403 . 9 1 1 A 79 79 ASN H H 79 8.100 7.565 0.535 1
1 406 . 9 1 1 A 79 79 ASN CA C 79 52.940 46.148 6.792 1
1 408 . 9 1 1 A 79 79 ASN N N 79 118.800 107.077 11.723 1
1 409 . 9 1 1 A 80 80 LYS H H 80 7.910 8.680 -0.770 1
1 416 . 9 1 1 A 80 80 LYS CA C 80 54.390 44.140 10.250 1
1 421 . 9 1 1 A 80 80 LYS N N 80 121.480 112.317 9.163 1
1 422 . 9 1 1 A 81 81 PRO HA H 81 4.500 4.835 -0.335 1
1 427 . 9 1 1 A 81 81 PRO CA C 81 63.250 57.326 5.924 1
1 428 . 9 1 1 A 81 81 PRO CB C 81 32.180 30.058 2.122 1
1 431 . 9 1 1 A 82 82 SER H H 82 8.270 7.594 0.676 1
1 434 . 9 1 1 A 82 82 SER CA C 82 58.240 45.344 12.896 1
1 436 . 9 1 1 A 82 82 SER N N 82 115.480 108.736 6.744 1
1 437 . 9 1 1 A 83 83 LYS H H 83 8.190 6.701 1.489 1
1 438 . 9 1 1 A 83 83 LYS HA H 83 4.620 4.166 0.454 1
1 441 . 9 1 1 A 83 83 LYS CA C 83 54.300 54.127 0.173 1
1 442 . 9 1 1 A 83 83 LYS CB C 83 32.840 28.204 4.636 1
1 443 . 9 1 1 A 83 83 LYS N N 83 123.660 118.436 5.224 1
1 444 . 9 1 1 A 84 84 PRO HA H 84 4.460 4.754 -0.294 1
1 450 . 9 1 1 A 84 84 PRO CA C 84 63.460 62.806 0.654 1
1 451 . 9 1 1 A 84 84 PRO CB C 84 32.040 32.548 -0.508 1
1 454 . 9 1 1 A 85 85 LYS H H 85 7.870 8.680 -0.810 1
1 455 . 9 1 1 A 85 85 LYS HA H 85 4.210 4.816 -0.606 1
1 461 . 9 1 1 A 85 85 LYS CA C 85 57.390 54.598 2.792 1
1 462 . 9 1 1 A 85 85 LYS CB C 85 34.180 31.322 2.858 1
1 297 . 10 1 1 A 59 59 GLY CA C 59 45.320 52.781 -7.461 1
1 299 . 10 1 1 A 60 60 TRP HA H 60 4.620 4.510 0.110 1
1 305 . 10 1 1 A 60 60 TRP CA C 60 57.560 62.467 -4.907 1
1 306 . 10 1 1 A 60 60 TRP CB C 60 29.600 33.079 -3.479 1
1 307 . 10 1 1 A 60 60 TRP N N 60 120.520 135.620 -15.100 1
1 308 . 10 1 1 A 61 61 GLY H H 61 8.350 8.531 -0.181 1
1 310 . 10 1 1 A 61 61 GLY CA C 61 45.500 54.903 -9.403 1
1 311 . 10 1 1 A 61 61 GLY N N 61 109.850 120.177 -10.327 1
1 312 . 10 1 1 A 62 62 GLN H H 62 7.990 8.763 -0.773 1
1 317 . 10 1 1 A 62 62 GLN CA C 62 53.540 45.245 8.295 1
1 320 . 10 1 1 A 62 62 GLN N N 62 119.560 111.850 7.710 1
1 328 . 10 1 1 A 63 63 PRO CA C 63 63.250 45.420 17.830 1
1 332 . 10 1 1 A 64 64 HIS H H 64 8.480 9.006 -0.526 1
1 336 . 10 1 1 A 64 64 HIS CA C 64 55.260 45.859 9.401 1
1 338 . 10 1 1 A 64 64 HIS N N 64 117.670 115.264 2.406 1
1 339 . 10 1 1 A 65 65 GLY H H 65 8.360 7.896 0.464 1
1 340 . 10 1 1 A 65 65 GLY CA C 65 45.500 57.544 -12.044 1
1 341 . 10 1 1 A 65 65 GLY N N 65 109.220 119.031 -9.811 1
1 343 . 10 1 1 A 67 67 GLY CA C 67 45.320 54.013 -8.693 1
1 345 . 10 1 1 A 68 68 TRP HA H 68 4.620 4.677 -0.057 1
1 351 . 10 1 1 A 68 68 TRP CA C 68 57.560 62.755 -5.195 1
1 352 . 10 1 1 A 68 68 TRP CB C 68 29.600 32.582 -2.982 1
1 353 . 10 1 1 A 68 68 TRP N N 68 120.520 135.569 -15.049 1
1 354 . 10 1 1 A 69 69 GLY H H 69 8.350 8.193 0.157 1
1 356 . 10 1 1 A 69 69 GLY CA C 69 45.500 55.713 -10.213 1
1 357 . 10 1 1 A 69 69 GLY N N 69 109.850 117.004 -7.154 1
1 358 . 10 1 1 A 70 70 GLN H H 70 7.990 6.968 1.022 1
1 363 . 10 1 1 A 70 70 GLN CA C 70 53.540 45.609 7.931 1
1 366 . 10 1 1 A 70 70 GLN N N 70 119.560 106.207 13.353 1
1 367 . 10 1 1 A 74 74 THR H H 74 8.010 7.476 0.534 1
1 371 . 10 1 1 A 74 74 THR CA C 74 62.180 45.298 16.882 1
1 374 . 10 1 1 A 74 74 THR N N 74 112.660 108.771 3.889 1
1 375 . 10 1 1 A 75 75 HIS H H 75 8.440 6.662 1.778 1
1 376 . 10 1 1 A 75 75 HIS HA H 75 4.720 3.859 0.861 1
1 379 . 10 1 1 A 75 75 HIS CA C 75 55.440 53.969 1.471 1
1 380 . 10 1 1 A 75 75 HIS CB C 75 28.690 28.522 0.168 1
1 381 . 10 1 1 A 75 75 HIS N N 75 119.560 118.169 1.391 1
1 383 . 10 1 1 A 76 76 ASN HA H 76 4.670 4.724 -0.054 1
1 385 . 10 1 1 A 76 76 ASN CA C 76 53.250 62.848 -9.598 1
1 386 . 10 1 1 A 76 76 ASN CB C 76 39.050 32.579 6.471 1
1 387 . 10 1 1 A 76 76 ASN N N 76 118.870 135.833 -16.963 1
1 388 . 10 1 1 A 77 77 GLN H H 77 8.350 8.671 -0.321 1
1 389 . 10 1 1 A 77 77 GLN HA H 77 4.240 4.710 -0.470 1
1 393 . 10 1 1 A 77 77 GLN CA C 77 56.420 56.330 0.090 1
1 394 . 10 1 1 A 77 77 GLN CB C 77 29.200 30.663 -1.463 1
1 396 . 10 1 1 A 77 77 GLN N N 77 119.470 122.605 -3.135 1
1 397 . 10 1 1 A 78 78 TRP H H 78 8.080 7.834 0.246 1
1 400 . 10 1 1 A 78 78 TRP CA C 78 57.430 45.514 11.916 1
1 402 . 10 1 1 A 78 78 TRP N N 78 120.120 106.406 13.714 1
1 403 . 10 1 1 A 79 79 ASN H H 79 8.100 8.133 -0.033 1
1 406 . 10 1 1 A 79 79 ASN CA C 79 52.940 46.143 6.797 1
1 408 . 10 1 1 A 79 79 ASN N N 79 118.800 108.744 10.056 1
1 409 . 10 1 1 A 80 80 LYS H H 80 7.910 7.632 0.278 1
1 416 . 10 1 1 A 80 80 LYS CA C 80 54.390 46.103 8.287 1
1 421 . 10 1 1 A 80 80 LYS N N 80 121.480 103.879 17.601 1
1 422 . 10 1 1 A 81 81 PRO HA H 81 4.500 4.803 -0.303 1
1 427 . 10 1 1 A 81 81 PRO CA C 81 63.250 57.303 5.947 1
1 428 . 10 1 1 A 81 81 PRO CB C 81 32.180 30.075 2.105 1
1 431 . 10 1 1 A 82 82 SER H H 82 8.270 7.459 0.811 1
1 434 . 10 1 1 A 82 82 SER CA C 82 58.240 44.886 13.354 1
1 436 . 10 1 1 A 82 82 SER N N 82 115.480 108.158 7.322 1
1 437 . 10 1 1 A 83 83 LYS H H 83 8.190 6.924 1.266 1
1 438 . 10 1 1 A 83 83 LYS HA H 83 4.620 4.291 0.329 1
1 441 . 10 1 1 A 83 83 LYS CA C 83 54.300 53.236 1.064 1
1 442 . 10 1 1 A 83 83 LYS CB C 83 32.840 29.282 3.558 1
1 443 . 10 1 1 A 83 83 LYS N N 83 123.660 118.451 5.209 1
1 444 . 10 1 1 A 84 84 PRO HA H 84 4.460 4.700 -0.240 1
1 450 . 10 1 1 A 84 84 PRO CA C 84 63.460 62.796 0.664 1
1 451 . 10 1 1 A 84 84 PRO CB C 84 32.040 32.180 -0.140 1
1 454 . 10 1 1 A 85 85 LYS H H 85 7.870 8.886 -1.016 1
1 455 . 10 1 1 A 85 85 LYS HA H 85 4.210 4.518 -0.308 1
1 461 . 10 1 1 A 85 85 LYS CA C 85 57.390 58.842 -1.452 1
1 462 . 10 1 1 A 85 85 LYS CB C 85 34.180 31.359 2.821 1
1 297 . 11 1 1 A 59 59 GLY CA C 59 45.320 53.958 -8.638 1
1 299 . 11 1 1 A 60 60 TRP HA H 60 4.620 5.064 -0.444 1
1 305 . 11 1 1 A 60 60 TRP CA C 60 57.560 63.153 -5.593 1
1 306 . 11 1 1 A 60 60 TRP CB C 60 29.600 32.012 -2.412 1
1 307 . 11 1 1 A 60 60 TRP N N 60 120.520 135.189 -14.669 1
1 308 . 11 1 1 A 61 61 GLY H H 61 8.350 9.121 -0.771 1
1 310 . 11 1 1 A 61 61 GLY CA C 61 45.500 56.460 -10.960 1
1 311 . 11 1 1 A 61 61 GLY N N 61 109.850 119.914 -10.064 1
1 312 . 11 1 1 A 62 62 GLN H H 62 7.990 7.716 0.274 1
1 317 . 11 1 1 A 62 62 GLN CA C 62 53.540 45.745 7.795 1
1 320 . 11 1 1 A 62 62 GLN N N 62 119.560 105.634 13.926 1
1 328 . 11 1 1 A 63 63 PRO CA C 63 63.250 45.727 17.523 1
1 332 . 11 1 1 A 64 64 HIS H H 64 8.480 8.612 -0.132 1
1 336 . 11 1 1 A 64 64 HIS CA C 64 55.260 44.963 10.297 1
1 338 . 11 1 1 A 64 64 HIS N N 64 117.670 111.660 6.010 1
1 339 . 11 1 1 A 65 65 GLY H H 65 8.360 8.137 0.223 1
1 340 . 11 1 1 A 65 65 GLY CA C 65 45.500 57.213 -11.713 1
1 341 . 11 1 1 A 65 65 GLY N N 65 109.220 118.596 -9.376 1
1 343 . 11 1 1 A 67 67 GLY CA C 67 45.320 53.937 -8.617 1
1 345 . 11 1 1 A 68 68 TRP HA H 68 4.620 4.660 -0.040 1
1 351 . 11 1 1 A 68 68 TRP CA C 68 57.560 62.858 -5.298 1
1 352 . 11 1 1 A 68 68 TRP CB C 68 29.600 32.665 -3.065 1
1 353 . 11 1 1 A 68 68 TRP N N 68 120.520 135.082 -14.562 1
1 354 . 11 1 1 A 69 69 GLY H H 69 8.350 8.746 -0.396 1
1 356 . 11 1 1 A 69 69 GLY CA C 69 45.500 58.112 -12.612 1
1 357 . 11 1 1 A 69 69 GLY N N 69 109.850 122.910 -13.060 1
1 358 . 11 1 1 A 70 70 GLN H H 70 7.990 7.704 0.286 1
1 363 . 11 1 1 A 70 70 GLN CA C 70 53.540 45.539 8.001 1
1 366 . 11 1 1 A 70 70 GLN N N 70 119.560 104.898 14.662 1
1 367 . 11 1 1 A 74 74 THR H H 74 8.010 7.486 0.524 1
1 371 . 11 1 1 A 74 74 THR CA C 74 62.180 45.201 16.979 1
1 374 . 11 1 1 A 74 74 THR N N 74 112.660 109.048 3.612 1
1 375 . 11 1 1 A 75 75 HIS H H 75 8.440 6.699 1.741 1
1 376 . 11 1 1 A 75 75 HIS HA H 75 4.720 3.943 0.777 1
1 379 . 11 1 1 A 75 75 HIS CA C 75 55.440 54.061 1.379 1
1 380 . 11 1 1 A 75 75 HIS CB C 75 28.690 28.427 0.263 1
1 381 . 11 1 1 A 75 75 HIS N N 75 119.560 118.159 1.401 1
1 383 . 11 1 1 A 76 76 ASN HA H 76 4.670 4.590 0.080 1
1 385 . 11 1 1 A 76 76 ASN CA C 76 53.250 62.782 -9.532 1
1 386 . 11 1 1 A 76 76 ASN CB C 76 39.050 32.217 6.833 1
1 387 . 11 1 1 A 76 76 ASN N N 76 118.870 135.372 -16.502 1
1 388 . 11 1 1 A 77 77 GLN H H 77 8.350 8.184 0.166 1
1 389 . 11 1 1 A 77 77 GLN HA H 77 4.240 4.302 -0.062 1
1 393 . 11 1 1 A 77 77 GLN CA C 77 56.420 57.636 -1.216 1
1 394 . 11 1 1 A 77 77 GLN CB C 77 29.200 30.367 -1.167 1
1 396 . 11 1 1 A 77 77 GLN N N 77 119.470 121.054 -1.584 1
1 397 . 11 1 1 A 78 78 TRP H H 78 8.080 7.395 0.685 1
1 400 . 11 1 1 A 78 78 TRP CA C 78 57.430 45.749 11.681 1
1 402 . 11 1 1 A 78 78 TRP N N 78 120.120 107.710 12.410 1
1 403 . 11 1 1 A 79 79 ASN H H 79 8.100 7.410 0.690 1
1 406 . 11 1 1 A 79 79 ASN CA C 79 52.940 45.999 6.941 1
1 408 . 11 1 1 A 79 79 ASN N N 79 118.800 106.068 12.732 1
1 409 . 11 1 1 A 80 80 LYS H H 80 7.910 8.003 -0.093 1
1 416 . 11 1 1 A 80 80 LYS CA C 80 54.390 44.586 9.804 1
1 421 . 11 1 1 A 80 80 LYS N N 80 121.480 106.506 14.974 1
1 422 . 11 1 1 A 81 81 PRO HA H 81 4.500 4.795 -0.295 1
1 427 . 11 1 1 A 81 81 PRO CA C 81 63.250 57.274 5.976 1
1 428 . 11 1 1 A 81 81 PRO CB C 81 32.180 30.007 2.173 1
1 431 . 11 1 1 A 82 82 SER H H 82 8.270 7.456 0.814 1
1 434 . 11 1 1 A 82 82 SER CA C 82 58.240 45.180 13.060 1
1 436 . 11 1 1 A 82 82 SER N N 82 115.480 108.723 6.757 1
1 437 . 11 1 1 A 83 83 LYS H H 83 8.190 6.597 1.593 1
1 438 . 11 1 1 A 83 83 LYS HA H 83 4.620 3.868 0.752 1
1 441 . 11 1 1 A 83 83 LYS CA C 83 54.300 53.926 0.374 1
1 442 . 11 1 1 A 83 83 LYS CB C 83 32.840 28.262 4.578 1
1 443 . 11 1 1 A 83 83 LYS N N 83 123.660 118.208 5.452 1
1 444 . 11 1 1 A 84 84 PRO HA H 84 4.460 4.553 -0.093 1
1 450 . 11 1 1 A 84 84 PRO CA C 84 63.460 62.713 0.747 1
1 451 . 11 1 1 A 84 84 PRO CB C 84 32.040 32.262 -0.222 1
1 454 . 11 1 1 A 85 85 LYS H H 85 7.870 8.725 -0.855 1
1 455 . 11 1 1 A 85 85 LYS HA H 85 4.210 4.487 -0.277 1
1 461 . 11 1 1 A 85 85 LYS CA C 85 57.390 58.334 -0.944 1
1 462 . 11 1 1 A 85 85 LYS CB C 85 34.180 31.514 2.666 1
1 297 . 12 1 1 A 59 59 GLY CA C 59 45.320 54.868 -9.548 1
1 299 . 12 1 1 A 60 60 TRP HA H 60 4.620 4.592 0.028 1
1 305 . 12 1 1 A 60 60 TRP CA C 60 57.560 62.624 -5.064 1
1 306 . 12 1 1 A 60 60 TRP CB C 60 29.600 32.266 -2.666 1
1 307 . 12 1 1 A 60 60 TRP N N 60 120.520 136.905 -16.385 1
1 308 . 12 1 1 A 61 61 GLY H H 61 8.350 9.004 -0.654 1
1 310 . 12 1 1 A 61 61 GLY CA C 61 45.500 56.426 -10.926 1
1 311 . 12 1 1 A 61 61 GLY N N 61 109.850 120.228 -10.378 1
1 312 . 12 1 1 A 62 62 GLN H H 62 7.990 7.545 0.445 1
1 317 . 12 1 1 A 62 62 GLN CA C 62 53.540 45.371 8.169 1
1 320 . 12 1 1 A 62 62 GLN N N 62 119.560 105.798 13.762 1
1 328 . 12 1 1 A 63 63 PRO CA C 63 63.250 46.014 17.236 1
1 332 . 12 1 1 A 64 64 HIS H H 64 8.480 8.383 0.097 1
1 336 . 12 1 1 A 64 64 HIS CA C 64 55.260 45.690 9.570 1
1 338 . 12 1 1 A 64 64 HIS N N 64 117.670 109.133 8.537 1
1 339 . 12 1 1 A 65 65 GLY H H 65 8.360 8.117 0.243 1
1 340 . 12 1 1 A 65 65 GLY CA C 65 45.500 57.218 -11.718 1
1 341 . 12 1 1 A 65 65 GLY N N 65 109.220 118.571 -9.351 1
1 343 . 12 1 1 A 67 67 GLY CA C 67 45.320 54.109 -8.789 1
1 345 . 12 1 1 A 68 68 TRP HA H 68 4.620 4.694 -0.074 1
1 351 . 12 1 1 A 68 68 TRP CA C 68 57.560 62.788 -5.228 1
1 352 . 12 1 1 A 68 68 TRP CB C 68 29.600 32.764 -3.164 1
1 353 . 12 1 1 A 68 68 TRP N N 68 120.520 135.137 -14.617 1
1 354 . 12 1 1 A 69 69 GLY H H 69 8.350 8.654 -0.304 1
1 356 . 12 1 1 A 69 69 GLY CA C 69 45.500 58.017 -12.517 1
1 357 . 12 1 1 A 69 69 GLY N N 69 109.850 122.757 -12.907 1
1 358 . 12 1 1 A 70 70 GLN H H 70 7.990 7.925 0.065 1
1 363 . 12 1 1 A 70 70 GLN CA C 70 53.540 45.662 7.878 1
1 366 . 12 1 1 A 70 70 GLN N N 70 119.560 104.873 14.687 1
1 367 . 12 1 1 A 74 74 THR H H 74 8.010 7.370 0.640 1
1 371 . 12 1 1 A 74 74 THR CA C 74 62.180 44.913 17.267 1
1 374 . 12 1 1 A 74 74 THR N N 74 112.660 107.820 4.840 1
1 375 . 12 1 1 A 75 75 HIS H H 75 8.440 6.846 1.594 1
1 376 . 12 1 1 A 75 75 HIS HA H 75 4.720 4.160 0.560 1
1 379 . 12 1 1 A 75 75 HIS CA C 75 55.440 53.444 1.996 1
1 380 . 12 1 1 A 75 75 HIS CB C 75 28.690 28.988 -0.298 1
1 381 . 12 1 1 A 75 75 HIS N N 75 119.560 118.421 1.139 1
1 383 . 12 1 1 A 76 76 ASN HA H 76 4.670 4.661 0.009 1
1 385 . 12 1 1 A 76 76 ASN CA C 76 53.250 62.703 -9.453 1
1 386 . 12 1 1 A 76 76 ASN CB C 76 39.050 32.533 6.517 1
1 387 . 12 1 1 A 76 76 ASN N N 76 118.870 135.140 -16.270 1
1 388 . 12 1 1 A 77 77 GLN H H 77 8.350 8.783 -0.433 1
1 389 . 12 1 1 A 77 77 GLN HA H 77 4.240 4.571 -0.331 1
1 393 . 12 1 1 A 77 77 GLN CA C 77 56.420 58.028 -1.608 1
1 394 . 12 1 1 A 77 77 GLN CB C 77 29.200 31.033 -1.833 1
1 396 . 12 1 1 A 77 77 GLN N N 77 119.470 122.840 -3.370 1
1 397 . 12 1 1 A 78 78 TRP H H 78 8.080 7.922 0.158 1
1 400 . 12 1 1 A 78 78 TRP CA C 78 57.430 45.832 11.598 1
1 402 . 12 1 1 A 78 78 TRP N N 78 120.120 105.164 14.956 1
1 403 . 12 1 1 A 79 79 ASN H H 79 8.100 7.568 0.532 1
1 406 . 12 1 1 A 79 79 ASN CA C 79 52.940 45.776 7.164 1
1 408 . 12 1 1 A 79 79 ASN N N 79 118.800 104.964 13.836 1
1 409 . 12 1 1 A 80 80 LYS H H 80 7.910 9.017 -1.107 1
1 416 . 12 1 1 A 80 80 LYS CA C 80 54.390 45.358 9.032 1
1 421 . 12 1 1 A 80 80 LYS N N 80 121.480 115.278 6.202 1
1 422 . 12 1 1 A 81 81 PRO HA H 81 4.500 4.867 -0.367 1
1 427 . 12 1 1 A 81 81 PRO CA C 81 63.250 57.178 6.072 1
1 428 . 12 1 1 A 81 81 PRO CB C 81 32.180 30.250 1.930 1
1 431 . 12 1 1 A 82 82 SER H H 82 8.270 7.370 0.900 1
1 434 . 12 1 1 A 82 82 SER CA C 82 58.240 44.943 13.297 1
1 436 . 12 1 1 A 82 82 SER N N 82 115.480 107.822 7.658 1
1 437 . 12 1 1 A 83 83 LYS H H 83 8.190 6.819 1.371 1
1 438 . 12 1 1 A 83 83 LYS HA H 83 4.620 4.090 0.530 1
1 441 . 12 1 1 A 83 83 LYS CA C 83 54.300 53.563 0.737 1
1 442 . 12 1 1 A 83 83 LYS CB C 83 32.840 28.985 3.855 1
1 443 . 12 1 1 A 83 83 LYS N N 83 123.660 118.251 5.409 1
1 444 . 12 1 1 A 84 84 PRO HA H 84 4.460 4.727 -0.267 1
1 450 . 12 1 1 A 84 84 PRO CA C 84 63.460 62.806 0.654 1
1 451 . 12 1 1 A 84 84 PRO CB C 84 32.040 32.415 -0.375 1
1 454 . 12 1 1 A 85 85 LYS H H 85 7.870 8.945 -1.075 1
1 455 . 12 1 1 A 85 85 LYS HA H 85 4.210 4.521 -0.311 1
1 461 . 12 1 1 A 85 85 LYS CA C 85 57.390 58.507 -1.117 1
1 462 . 12 1 1 A 85 85 LYS CB C 85 34.180 31.532 2.648 1
1 297 . 13 1 1 A 59 59 GLY CA C 59 45.320 55.291 -9.971 1
1 299 . 13 1 1 A 60 60 TRP HA H 60 4.620 4.579 0.041 1
1 305 . 13 1 1 A 60 60 TRP CA C 60 57.560 62.668 -5.108 1
1 306 . 13 1 1 A 60 60 TRP CB C 60 29.600 32.510 -2.910 1
1 307 . 13 1 1 A 60 60 TRP N N 60 120.520 136.179 -15.659 1
1 308 . 13 1 1 A 61 61 GLY H H 61 8.350 8.839 -0.489 1
1 310 . 13 1 1 A 61 61 GLY CA C 61 45.500 58.868 -13.368 1
1 311 . 13 1 1 A 61 61 GLY N N 61 109.850 123.896 -14.046 1
1 312 . 13 1 1 A 62 62 GLN H H 62 7.990 8.048 -0.058 1
1 317 . 13 1 1 A 62 62 GLN CA C 62 53.540 45.655 7.885 1
1 320 . 13 1 1 A 62 62 GLN N N 62 119.560 105.321 14.239 1
1 328 . 13 1 1 A 63 63 PRO CA C 63 63.250 45.544 17.706 1
1 332 . 13 1 1 A 64 64 HIS H H 64 8.480 7.798 0.682 1
1 336 . 13 1 1 A 64 64 HIS CA C 64 55.260 45.400 9.860 1
1 338 . 13 1 1 A 64 64 HIS N N 64 117.670 105.606 12.064 1
1 339 . 13 1 1 A 65 65 GLY H H 65 8.360 8.252 0.108 1
1 340 . 13 1 1 A 65 65 GLY CA C 65 45.500 57.260 -11.760 1
1 341 . 13 1 1 A 65 65 GLY N N 65 109.220 118.532 -9.312 1
1 343 . 13 1 1 A 67 67 GLY CA C 67 45.320 53.237 -7.917 1
1 345 . 13 1 1 A 68 68 TRP HA H 68 4.620 4.585 0.035 1
1 351 . 13 1 1 A 68 68 TRP CA C 68 57.560 62.679 -5.119 1
1 352 . 13 1 1 A 68 68 TRP CB C 68 29.600 32.641 -3.041 1
1 353 . 13 1 1 A 68 68 TRP N N 68 120.520 134.834 -14.314 1
1 354 . 13 1 1 A 69 69 GLY H H 69 8.350 8.105 0.245 1
1 356 . 13 1 1 A 69 69 GLY CA C 69 45.500 56.570 -11.070 1
1 357 . 13 1 1 A 69 69 GLY N N 69 109.850 118.411 -8.561 1
1 358 . 13 1 1 A 70 70 GLN H H 70 7.990 7.183 0.807 1
1 363 . 13 1 1 A 70 70 GLN CA C 70 53.540 45.503 8.037 1
1 366 . 13 1 1 A 70 70 GLN N N 70 119.560 106.040 13.520 1
1 367 . 13 1 1 A 74 74 THR H H 74 8.010 7.373 0.637 1
1 371 . 13 1 1 A 74 74 THR CA C 74 62.180 44.727 17.453 1
1 374 . 13 1 1 A 74 74 THR N N 74 112.660 107.781 4.879 1
1 375 . 13 1 1 A 75 75 HIS H H 75 8.440 6.760 1.680 1
1 376 . 13 1 1 A 75 75 HIS HA H 75 4.720 3.941 0.779 1
1 379 . 13 1 1 A 75 75 HIS CA C 75 55.440 53.178 2.262 1
1 380 . 13 1 1 A 75 75 HIS CB C 75 28.690 29.238 -0.548 1
1 381 . 13 1 1 A 75 75 HIS N N 75 119.560 118.215 1.345 1
1 383 . 13 1 1 A 76 76 ASN HA H 76 4.670 4.742 -0.072 1
1 385 . 13 1 1 A 76 76 ASN CA C 76 53.250 62.948 -9.698 1
1 386 . 13 1 1 A 76 76 ASN CB C 76 39.050 32.889 6.161 1
1 387 . 13 1 1 A 76 76 ASN N N 76 118.870 135.419 -16.549 1
1 388 . 13 1 1 A 77 77 GLN H H 77 8.350 8.690 -0.340 1
1 389 . 13 1 1 A 77 77 GLN HA H 77 4.240 4.587 -0.347 1
1 393 . 13 1 1 A 77 77 GLN CA C 77 56.420 58.013 -1.593 1
1 394 . 13 1 1 A 77 77 GLN CB C 77 29.200 31.210 -2.010 1
1 396 . 13 1 1 A 77 77 GLN N N 77 119.470 121.972 -2.502 1
1 397 . 13 1 1 A 78 78 TRP H H 78 8.080 7.644 0.436 1
1 400 . 13 1 1 A 78 78 TRP CA C 78 57.430 45.650 11.780 1
1 402 . 13 1 1 A 78 78 TRP N N 78 120.120 104.830 15.290 1
1 403 . 13 1 1 A 79 79 ASN H H 79 8.100 7.617 0.483 1
1 406 . 13 1 1 A 79 79 ASN CA C 79 52.940 45.198 7.742 1
1 408 . 13 1 1 A 79 79 ASN N N 79 118.800 107.422 11.378 1
1 409 . 13 1 1 A 80 80 LYS H H 80 7.910 9.004 -1.094 1
1 416 . 13 1 1 A 80 80 LYS CA C 80 54.390 45.442 8.948 1
1 421 . 13 1 1 A 80 80 LYS N N 80 121.480 114.962 6.518 1
1 422 . 13 1 1 A 81 81 PRO HA H 81 4.500 4.889 -0.389 1
1 427 . 13 1 1 A 81 81 PRO CA C 81 63.250 57.359 5.891 1
1 428 . 13 1 1 A 81 81 PRO CB C 81 32.180 30.099 2.081 1
1 431 . 13 1 1 A 82 82 SER H H 82 8.270 7.409 0.861 1
1 434 . 13 1 1 A 82 82 SER CA C 82 58.240 45.009 13.231 1
1 436 . 13 1 1 A 82 82 SER N N 82 115.480 107.855 7.625 1
1 437 . 13 1 1 A 83 83 LYS H H 83 8.190 6.934 1.256 1
1 438 . 13 1 1 A 83 83 LYS HA H 83 4.620 4.293 0.327 1
1 441 . 13 1 1 A 83 83 LYS CA C 83 54.300 53.511 0.789 1
1 442 . 13 1 1 A 83 83 LYS CB C 83 32.840 29.048 3.792 1
1 443 . 13 1 1 A 83 83 LYS N N 83 123.660 118.143 5.517 1
1 444 . 13 1 1 A 84 84 PRO HA H 84 4.460 4.471 -0.011 1
1 450 . 13 1 1 A 84 84 PRO CA C 84 63.460 62.607 0.853 1
1 451 . 13 1 1 A 84 84 PRO CB C 84 32.040 33.086 -1.046 1
1 454 . 13 1 1 A 85 85 LYS H H 85 7.870 8.752 -0.882 1
1 455 . 13 1 1 A 85 85 LYS HA H 85 4.210 4.594 -0.384 1
1 461 . 13 1 1 A 85 85 LYS CA C 85 57.390 56.756 0.634 1
1 462 . 13 1 1 A 85 85 LYS CB C 85 34.180 31.966 2.214 1
1 297 . 14 1 1 A 59 59 GLY CA C 59 45.320 53.895 -8.575 1
1 299 . 14 1 1 A 60 60 TRP HA H 60 4.620 4.637 -0.017 1
1 305 . 14 1 1 A 60 60 TRP CA C 60 57.560 62.976 -5.416 1
1 306 . 14 1 1 A 60 60 TRP CB C 60 29.600 32.183 -2.583 1
1 307 . 14 1 1 A 60 60 TRP N N 60 120.520 135.921 -15.401 1
1 308 . 14 1 1 A 61 61 GLY H H 61 8.350 8.691 -0.341 1
1 310 . 14 1 1 A 61 61 GLY CA C 61 45.500 56.718 -11.218 1
1 311 . 14 1 1 A 61 61 GLY N N 61 109.850 123.818 -13.968 1
1 312 . 14 1 1 A 62 62 GLN H H 62 7.990 7.734 0.256 1
1 317 . 14 1 1 A 62 62 GLN CA C 62 53.540 45.648 7.892 1
1 320 . 14 1 1 A 62 62 GLN N N 62 119.560 107.203 12.357 1
1 328 . 14 1 1 A 63 63 PRO CA C 63 63.250 46.164 17.086 1
1 332 . 14 1 1 A 64 64 HIS H H 64 8.480 7.834 0.646 1
1 336 . 14 1 1 A 64 64 HIS CA C 64 55.260 45.425 9.835 1
1 338 . 14 1 1 A 64 64 HIS N N 64 117.670 104.239 13.431 1
1 339 . 14 1 1 A 65 65 GLY H H 65 8.360 8.254 0.106 1
1 340 . 14 1 1 A 65 65 GLY CA C 65 45.500 57.239 -11.739 1
1 341 . 14 1 1 A 65 65 GLY N N 65 109.220 118.701 -9.481 1
1 343 . 14 1 1 A 67 67 GLY CA C 67 45.320 53.626 -8.306 1
1 345 . 14 1 1 A 68 68 TRP HA H 68 4.620 4.839 -0.219 1
1 351 . 14 1 1 A 68 68 TRP CA C 68 57.560 62.399 -4.839 1
1 352 . 14 1 1 A 68 68 TRP CB C 68 29.600 33.226 -3.626 1
1 353 . 14 1 1 A 68 68 TRP N N 68 120.520 135.825 -15.305 1
1 354 . 14 1 1 A 69 69 GLY H H 69 8.350 8.070 0.280 1
1 356 . 14 1 1 A 69 69 GLY CA C 69 45.500 54.219 -8.719 1
1 357 . 14 1 1 A 69 69 GLY N N 69 109.850 117.300 -7.450 1
1 358 . 14 1 1 A 70 70 GLN H H 70 7.990 9.168 -1.178 1
1 363 . 14 1 1 A 70 70 GLN CA C 70 53.540 46.431 7.109 1
1 366 . 14 1 1 A 70 70 GLN N N 70 119.560 112.395 7.165 1
1 367 . 14 1 1 A 74 74 THR H H 74 8.010 7.556 0.454 1
1 371 . 14 1 1 A 74 74 THR CA C 74 62.180 45.268 16.912 1
1 374 . 14 1 1 A 74 74 THR N N 74 112.660 109.013 3.647 1
1 375 . 14 1 1 A 75 75 HIS H H 75 8.440 6.838 1.602 1
1 376 . 14 1 1 A 75 75 HIS HA H 75 4.720 4.127 0.593 1
1 379 . 14 1 1 A 75 75 HIS CA C 75 55.440 54.123 1.317 1
1 380 . 14 1 1 A 75 75 HIS CB C 75 28.690 28.301 0.389 1
1 381 . 14 1 1 A 75 75 HIS N N 75 119.560 118.435 1.125 1
1 383 . 14 1 1 A 76 76 ASN HA H 76 4.670 4.548 0.122 1
1 385 . 14 1 1 A 76 76 ASN CA C 76 53.250 62.802 -9.552 1
1 386 . 14 1 1 A 76 76 ASN CB C 76 39.050 32.727 6.323 1
1 387 . 14 1 1 A 76 76 ASN N N 76 118.870 135.779 -16.909 1
1 388 . 14 1 1 A 77 77 GLN H H 77 8.350 7.856 0.494 1
1 389 . 14 1 1 A 77 77 GLN HA H 77 4.240 4.650 -0.410 1
1 393 . 14 1 1 A 77 77 GLN CA C 77 56.420 56.064 0.356 1
1 394 . 14 1 1 A 77 77 GLN CB C 77 29.200 31.058 -1.858 1
1 396 . 14 1 1 A 77 77 GLN N N 77 119.470 117.518 1.952 1
1 397 . 14 1 1 A 78 78 TRP H H 78 8.080 7.668 0.412 1
1 400 . 14 1 1 A 78 78 TRP CA C 78 57.430 46.587 10.843 1
1 402 . 14 1 1 A 78 78 TRP N N 78 120.120 108.513 11.607 1
1 403 . 14 1 1 A 79 79 ASN H H 79 8.100 7.521 0.579 1
1 406 . 14 1 1 A 79 79 ASN CA C 79 52.940 45.653 7.287 1
1 408 . 14 1 1 A 79 79 ASN N N 79 118.800 104.931 13.869 1
1 409 . 14 1 1 A 80 80 LYS H H 80 7.910 7.281 0.629 1
1 416 . 14 1 1 A 80 80 LYS CA C 80 54.390 44.546 9.844 1
1 421 . 14 1 1 A 80 80 LYS N N 80 121.480 106.078 15.402 1
1 422 . 14 1 1 A 81 81 PRO HA H 81 4.500 4.759 -0.259 1
1 427 . 14 1 1 A 81 81 PRO CA C 81 63.250 57.261 5.989 1
1 428 . 14 1 1 A 81 81 PRO CB C 81 32.180 30.078 2.102 1
1 431 . 14 1 1 A 82 82 SER H H 82 8.270 7.417 0.853 1
1 434 . 14 1 1 A 82 82 SER CA C 82 58.240 45.016 13.224 1
1 436 . 14 1 1 A 82 82 SER N N 82 115.480 107.875 7.605 1
1 437 . 14 1 1 A 83 83 LYS H H 83 8.190 6.915 1.275 1
1 438 . 14 1 1 A 83 83 LYS HA H 83 4.620 4.275 0.345 1
1 441 . 14 1 1 A 83 83 LYS CA C 83 54.300 53.549 0.751 1
1 442 . 14 1 1 A 83 83 LYS CB C 83 32.840 29.041 3.799 1
1 443 . 14 1 1 A 83 83 LYS N N 83 123.660 118.537 5.123 1
1 444 . 14 1 1 A 84 84 PRO HA H 84 4.460 4.759 -0.299 1
1 450 . 14 1 1 A 84 84 PRO CA C 84 63.460 62.760 0.700 1
1 451 . 14 1 1 A 84 84 PRO CB C 84 32.040 32.877 -0.837 1
1 454 . 14 1 1 A 85 85 LYS H H 85 7.870 8.612 -0.742 1
1 455 . 14 1 1 A 85 85 LYS HA H 85 4.210 4.627 -0.417 1
1 461 . 14 1 1 A 85 85 LYS CA C 85 57.390 58.017 -0.627 1
1 462 . 14 1 1 A 85 85 LYS CB C 85 34.180 31.073 3.107 1
1 297 . 15 1 1 A 59 59 GLY CA C 59 45.320 53.604 -8.284 1
1 299 . 15 1 1 A 60 60 TRP HA H 60 4.620 4.691 -0.071 1
1 305 . 15 1 1 A 60 60 TRP CA C 60 57.560 62.799 -5.239 1
1 306 . 15 1 1 A 60 60 TRP CB C 60 29.600 32.773 -3.173 1
1 307 . 15 1 1 A 60 60 TRP N N 60 120.520 134.918 -14.398 1
1 308 . 15 1 1 A 61 61 GLY H H 61 8.350 8.897 -0.547 1
1 310 . 15 1 1 A 61 61 GLY CA C 61 45.500 58.390 -12.890 1
1 311 . 15 1 1 A 61 61 GLY N N 61 109.850 123.037 -13.187 1
1 312 . 15 1 1 A 62 62 GLN H H 62 7.990 7.561 0.429 1
1 317 . 15 1 1 A 62 62 GLN CA C 62 53.540 45.696 7.844 1
1 320 . 15 1 1 A 62 62 GLN N N 62 119.560 105.842 13.718 1
1 328 . 15 1 1 A 63 63 PRO CA C 63 63.250 46.211 17.039 1
1 332 . 15 1 1 A 64 64 HIS H H 64 8.480 7.665 0.815 1
1 336 . 15 1 1 A 64 64 HIS CA C 64 55.260 46.092 9.168 1
1 338 . 15 1 1 A 64 64 HIS N N 64 117.670 104.581 13.089 1
1 339 . 15 1 1 A 65 65 GLY H H 65 8.360 8.234 0.126 1
1 340 . 15 1 1 A 65 65 GLY CA C 65 45.500 57.156 -11.656 1
1 341 . 15 1 1 A 65 65 GLY N N 65 109.220 118.585 -9.365 1
1 343 . 15 1 1 A 67 67 GLY CA C 67 45.320 53.520 -8.200 1
1 345 . 15 1 1 A 68 68 TRP HA H 68 4.620 4.679 -0.059 1
1 351 . 15 1 1 A 68 68 TRP CA C 68 57.560 62.870 -5.310 1
1 352 . 15 1 1 A 68 68 TRP CB C 68 29.600 32.629 -3.029 1
1 353 . 15 1 1 A 68 68 TRP N N 68 120.520 135.992 -15.472 1
1 354 . 15 1 1 A 69 69 GLY H H 69 8.350 8.626 -0.276 1
1 356 . 15 1 1 A 69 69 GLY CA C 69 45.500 56.363 -10.863 1
1 357 . 15 1 1 A 69 69 GLY N N 69 109.850 122.566 -12.716 1
1 358 . 15 1 1 A 70 70 GLN H H 70 7.990 7.592 0.398 1
1 363 . 15 1 1 A 70 70 GLN CA C 70 53.540 45.472 8.068 1
1 366 . 15 1 1 A 70 70 GLN N N 70 119.560 106.194 13.366 1
1 367 . 15 1 1 A 74 74 THR H H 74 8.010 7.426 0.584 1
1 371 . 15 1 1 A 74 74 THR CA C 74 62.180 45.221 16.959 1
1 374 . 15 1 1 A 74 74 THR N N 74 112.660 108.760 3.900 1
1 375 . 15 1 1 A 75 75 HIS H H 75 8.440 6.702 1.738 1
1 376 . 15 1 1 A 75 75 HIS HA H 75 4.720 4.113 0.607 1
1 379 . 15 1 1 A 75 75 HIS CA C 75 55.440 54.082 1.358 1
1 380 . 15 1 1 A 75 75 HIS CB C 75 28.690 28.625 0.065 1
1 381 . 15 1 1 A 75 75 HIS N N 75 119.560 118.214 1.346 1
1 383 . 15 1 1 A 76 76 ASN HA H 76 4.670 4.545 0.125 1
1 385 . 15 1 1 A 76 76 ASN CA C 76 53.250 62.660 -9.410 1
1 386 . 15 1 1 A 76 76 ASN CB C 76 39.050 32.659 6.391 1
1 387 . 15 1 1 A 76 76 ASN N N 76 118.870 135.261 -16.391 1
1 388 . 15 1 1 A 77 77 GLN H H 77 8.350 7.958 0.392 1
1 389 . 15 1 1 A 77 77 GLN HA H 77 4.240 4.562 -0.322 1
1 393 . 15 1 1 A 77 77 GLN CA C 77 56.420 56.801 -0.381 1
1 394 . 15 1 1 A 77 77 GLN CB C 77 29.200 30.895 -1.695 1
1 396 . 15 1 1 A 77 77 GLN N N 77 119.470 118.680 0.790 1
1 397 . 15 1 1 A 78 78 TRP H H 78 8.080 7.546 0.534 1
1 400 . 15 1 1 A 78 78 TRP CA C 78 57.430 45.803 11.627 1
1 402 . 15 1 1 A 78 78 TRP N N 78 120.120 108.190 11.930 1
1 403 . 15 1 1 A 79 79 ASN H H 79 8.100 7.467 0.633 1
1 406 . 15 1 1 A 79 79 ASN CA C 79 52.940 45.446 7.494 1
1 408 . 15 1 1 A 79 79 ASN N N 79 118.800 104.375 14.425 1
1 409 . 15 1 1 A 80 80 LYS H H 80 7.910 8.900 -0.990 1
1 416 . 15 1 1 A 80 80 LYS CA C 80 54.390 45.196 9.194 1
1 421 . 15 1 1 A 80 80 LYS N N 80 121.480 115.116 6.364 1
1 422 . 15 1 1 A 81 81 PRO HA H 81 4.500 4.820 -0.320 1
1 427 . 15 1 1 A 81 81 PRO CA C 81 63.250 57.191 6.059 1
1 428 . 15 1 1 A 81 81 PRO CB C 81 32.180 30.258 1.922 1
1 431 . 15 1 1 A 82 82 SER H H 82 8.270 7.370 0.900 1
1 434 . 15 1 1 A 82 82 SER CA C 82 58.240 45.197 13.043 1
1 436 . 15 1 1 A 82 82 SER N N 82 115.480 108.739 6.741 1
1 437 . 15 1 1 A 83 83 LYS H H 83 8.190 6.654 1.536 1
1 438 . 15 1 1 A 83 83 LYS HA H 83 4.620 4.077 0.543 1
1 441 . 15 1 1 A 83 83 LYS CA C 83 54.300 54.058 0.242 1
1 442 . 15 1 1 A 83 83 LYS CB C 83 32.840 28.301 4.539 1
1 443 . 15 1 1 A 83 83 LYS N N 83 123.660 118.273 5.387 1
1 444 . 15 1 1 A 84 84 PRO HA H 84 4.460 4.784 -0.324 1
1 450 . 15 1 1 A 84 84 PRO CA C 84 63.460 62.877 0.583 1
1 451 . 15 1 1 A 84 84 PRO CB C 84 32.040 32.363 -0.323 1
1 454 . 15 1 1 A 85 85 LYS H H 85 7.870 8.905 -1.035 1
1 455 . 15 1 1 A 85 85 LYS HA H 85 4.210 4.506 -0.296 1
1 461 . 15 1 1 A 85 85 LYS CA C 85 57.390 58.909 -1.519 1
1 462 . 15 1 1 A 85 85 LYS CB C 85 34.180 31.275 2.905 1
1 297 . 16 1 1 A 59 59 GLY CA C 59 45.320 53.025 -7.705 1
1 299 . 16 1 1 A 60 60 TRP HA H 60 4.620 4.682 -0.062 1
1 305 . 16 1 1 A 60 60 TRP CA C 60 57.560 62.723 -5.163 1
1 306 . 16 1 1 A 60 60 TRP CB C 60 29.600 32.649 -3.049 1
1 307 . 16 1 1 A 60 60 TRP N N 60 120.520 134.932 -14.412 1
1 308 . 16 1 1 A 61 61 GLY H H 61 8.350 8.447 -0.097 1
1 310 . 16 1 1 A 61 61 GLY CA C 61 45.500 57.021 -11.521 1
1 311 . 16 1 1 A 61 61 GLY N N 61 109.850 118.525 -8.675 1
1 312 . 16 1 1 A 62 62 GLN H H 62 7.990 6.997 0.993 1
1 317 . 16 1 1 A 62 62 GLN CA C 62 53.540 45.605 7.935 1
1 320 . 16 1 1 A 62 62 GLN N N 62 119.560 106.026 13.534 1
1 328 . 16 1 1 A 63 63 PRO CA C 63 63.250 46.095 17.155 1
1 332 . 16 1 1 A 64 64 HIS H H 64 8.480 7.660 0.820 1
1 336 . 16 1 1 A 64 64 HIS CA C 64 55.260 46.008 9.252 1
1 338 . 16 1 1 A 64 64 HIS N N 64 117.670 105.155 12.515 1
1 339 . 16 1 1 A 65 65 GLY H H 65 8.360 8.179 0.181 1
1 340 . 16 1 1 A 65 65 GLY CA C 65 45.500 57.271 -11.771 1
1 341 . 16 1 1 A 65 65 GLY N N 65 109.220 118.595 -9.375 1
1 343 . 16 1 1 A 67 67 GLY CA C 67 45.320 53.521 -8.201 1
1 345 . 16 1 1 A 68 68 TRP HA H 68 4.620 4.682 -0.062 1
1 351 . 16 1 1 A 68 68 TRP CA C 68 57.560 62.784 -5.224 1
1 352 . 16 1 1 A 68 68 TRP CB C 68 29.600 32.769 -3.169 1
1 353 . 16 1 1 A 68 68 TRP N N 68 120.520 135.340 -14.820 1
1 354 . 16 1 1 A 69 69 GLY H H 69 8.350 8.695 -0.345 1
1 356 . 16 1 1 A 69 69 GLY CA C 69 45.500 58.139 -12.639 1
1 357 . 16 1 1 A 69 69 GLY N N 69 109.850 122.234 -12.384 1
1 358 . 16 1 1 A 70 70 GLN H H 70 7.990 7.464 0.526 1
1 363 . 16 1 1 A 70 70 GLN CA C 70 53.540 45.643 7.897 1
1 366 . 16 1 1 A 70 70 GLN N N 70 119.560 105.742 13.818 1
1 367 . 16 1 1 A 74 74 THR H H 74 8.010 7.436 0.574 1
1 371 . 16 1 1 A 74 74 THR CA C 74 62.180 45.282 16.898 1
1 374 . 16 1 1 A 74 74 THR N N 74 112.660 108.769 3.891 1
1 375 . 16 1 1 A 75 75 HIS H H 75 8.440 6.719 1.721 1
1 376 . 16 1 1 A 75 75 HIS HA H 75 4.720 4.186 0.534 1
1 379 . 16 1 1 A 75 75 HIS CA C 75 55.440 54.127 1.313 1
1 380 . 16 1 1 A 75 75 HIS CB C 75 28.690 28.340 0.350 1
1 381 . 16 1 1 A 75 75 HIS N N 75 119.560 118.380 1.180 1
1 383 . 16 1 1 A 76 76 ASN HA H 76 4.670 4.722 -0.052 1
1 385 . 16 1 1 A 76 76 ASN CA C 76 53.250 62.795 -9.545 1
1 386 . 16 1 1 A 76 76 ASN CB C 76 39.050 32.749 6.301 1
1 387 . 16 1 1 A 76 76 ASN N N 76 118.870 135.132 -16.262 1
1 388 . 16 1 1 A 77 77 GLN H H 77 8.350 8.662 -0.312 1
1 389 . 16 1 1 A 77 77 GLN HA H 77 4.240 4.576 -0.336 1
1 393 . 16 1 1 A 77 77 GLN CA C 77 56.420 57.974 -1.554 1
1 394 . 16 1 1 A 77 77 GLN CB C 77 29.200 31.166 -1.966 1
1 396 . 16 1 1 A 77 77 GLN N N 77 119.470 122.141 -2.671 1
1 397 . 16 1 1 A 78 78 TRP H H 78 8.080 7.955 0.125 1
1 400 . 16 1 1 A 78 78 TRP CA C 78 57.430 45.534 11.896 1
1 402 . 16 1 1 A 78 78 TRP N N 78 120.120 104.837 15.283 1
1 403 . 16 1 1 A 79 79 ASN H H 79 8.100 8.259 -0.159 1
1 406 . 16 1 1 A 79 79 ASN CA C 79 52.940 45.534 7.406 1
1 408 . 16 1 1 A 79 79 ASN N N 79 118.800 108.369 10.431 1
1 409 . 16 1 1 A 80 80 LYS H H 80 7.910 8.819 -0.909 1
1 416 . 16 1 1 A 80 80 LYS CA C 80 54.390 45.417 8.973 1
1 421 . 16 1 1 A 80 80 LYS N N 80 121.480 114.674 6.806 1
1 422 . 16 1 1 A 81 81 PRO HA H 81 4.500 4.860 -0.360 1
1 427 . 16 1 1 A 81 81 PRO CA C 81 63.250 57.209 6.041 1
1 428 . 16 1 1 A 81 81 PRO CB C 81 32.180 30.307 1.873 1
1 431 . 16 1 1 A 82 82 SER H H 82 8.270 7.394 0.876 1
1 434 . 16 1 1 A 82 82 SER CA C 82 58.240 44.936 13.304 1
1 436 . 16 1 1 A 82 82 SER N N 82 115.480 107.850 7.630 1
1 437 . 16 1 1 A 83 83 LYS H H 83 8.190 6.870 1.320 1
1 438 . 16 1 1 A 83 83 LYS HA H 83 4.620 4.255 0.365 1
1 441 . 16 1 1 A 83 83 LYS CA C 83 54.300 53.337 0.963 1
1 442 . 16 1 1 A 83 83 LYS CB C 83 32.840 29.352 3.488 1
1 443 . 16 1 1 A 83 83 LYS N N 83 123.660 118.390 5.270 1
1 444 . 16 1 1 A 84 84 PRO HA H 84 4.460 4.558 -0.098 1
1 450 . 16 1 1 A 84 84 PRO CA C 84 63.460 62.659 0.801 1
1 451 . 16 1 1 A 84 84 PRO CB C 84 32.040 32.600 -0.560 1
1 454 . 16 1 1 A 85 85 LYS H H 85 7.870 8.788 -0.918 1
1 455 . 16 1 1 A 85 85 LYS HA H 85 4.210 4.478 -0.268 1
1 461 . 16 1 1 A 85 85 LYS CA C 85 57.390 58.181 -0.791 1
1 462 . 16 1 1 A 85 85 LYS CB C 85 34.180 31.628 2.552 1
1 297 . 17 1 1 A 59 59 GLY CA C 59 45.320 52.692 -7.372 1
1 299 . 17 1 1 A 60 60 TRP HA H 60 4.620 5.006 -0.386 1
1 305 . 17 1 1 A 60 60 TRP CA C 60 57.560 62.970 -5.410 1
1 306 . 17 1 1 A 60 60 TRP CB C 60 29.600 33.010 -3.410 1
1 307 . 17 1 1 A 60 60 TRP N N 60 120.520 135.151 -14.631 1
1 308 . 17 1 1 A 61 61 GLY H H 61 8.350 8.376 -0.026 1
1 310 . 17 1 1 A 61 61 GLY CA C 61 45.500 56.227 -10.727 1
1 311 . 17 1 1 A 61 61 GLY N N 61 109.850 117.707 -7.857 1
1 312 . 17 1 1 A 62 62 GLN H H 62 7.990 7.275 0.715 1
1 317 . 17 1 1 A 62 62 GLN CA C 62 53.540 45.830 7.710 1
1 320 . 17 1 1 A 62 62 GLN N N 62 119.560 106.138 13.422 1
1 328 . 17 1 1 A 63 63 PRO CA C 63 63.250 46.174 17.076 1
1 332 . 17 1 1 A 64 64 HIS H H 64 8.480 7.458 1.022 1
1 336 . 17 1 1 A 64 64 HIS CA C 64 55.260 46.310 8.950 1
1 338 . 17 1 1 A 64 64 HIS N N 64 117.670 103.098 14.572 1
1 339 . 17 1 1 A 65 65 GLY H H 65 8.360 8.240 0.120 1
1 340 . 17 1 1 A 65 65 GLY CA C 65 45.500 57.363 -11.863 1
1 341 . 17 1 1 A 65 65 GLY N N 65 109.220 118.708 -9.488 1
1 343 . 17 1 1 A 67 67 GLY CA C 67 45.320 54.067 -8.747 1
1 345 . 17 1 1 A 68 68 TRP HA H 68 4.620 4.534 0.086 1
1 351 . 17 1 1 A 68 68 TRP CA C 68 57.560 62.798 -5.238 1
1 352 . 17 1 1 A 68 68 TRP CB C 68 29.600 32.032 -2.432 1
1 353 . 17 1 1 A 68 68 TRP N N 68 120.520 135.355 -14.835 1
1 354 . 17 1 1 A 69 69 GLY H H 69 8.350 8.008 0.342 1
1 356 . 17 1 1 A 69 69 GLY CA C 69 45.500 57.475 -11.975 1
1 357 . 17 1 1 A 69 69 GLY N N 69 109.850 121.057 -11.207 1
1 358 . 17 1 1 A 70 70 GLN H H 70 7.990 7.574 0.416 1
1 363 . 17 1 1 A 70 70 GLN CA C 70 53.540 45.929 7.611 1
1 366 . 17 1 1 A 70 70 GLN N N 70 119.560 107.834 11.726 1
1 367 . 17 1 1 A 74 74 THR H H 74 8.010 7.488 0.522 1
1 371 . 17 1 1 A 74 74 THR CA C 74 62.180 45.250 16.930 1
1 374 . 17 1 1 A 74 74 THR N N 74 112.660 109.180 3.480 1
1 375 . 17 1 1 A 75 75 HIS H H 75 8.440 6.820 1.620 1
1 376 . 17 1 1 A 75 75 HIS HA H 75 4.720 4.146 0.574 1
1 379 . 17 1 1 A 75 75 HIS CA C 75 55.440 54.148 1.292 1
1 380 . 17 1 1 A 75 75 HIS CB C 75 28.690 28.354 0.336 1
1 381 . 17 1 1 A 75 75 HIS N N 75 119.560 118.301 1.259 1
1 383 . 17 1 1 A 76 76 ASN HA H 76 4.670 4.703 -0.033 1
1 385 . 17 1 1 A 76 76 ASN CA C 76 53.250 62.754 -9.504 1
1 386 . 17 1 1 A 76 76 ASN CB C 76 39.050 32.730 6.320 1
1 387 . 17 1 1 A 76 76 ASN N N 76 118.870 135.618 -16.748 1
1 388 . 17 1 1 A 77 77 GLN H H 77 8.350 8.053 0.297 1
1 389 . 17 1 1 A 77 77 GLN HA H 77 4.240 4.652 -0.412 1
1 393 . 17 1 1 A 77 77 GLN CA C 77 56.420 55.804 0.616 1
1 394 . 17 1 1 A 77 77 GLN CB C 77 29.200 31.021 -1.821 1
1 396 . 17 1 1 A 77 77 GLN N N 77 119.470 115.759 3.711 1
1 397 . 17 1 1 A 78 78 TRP H H 78 8.080 7.355 0.725 1
1 400 . 17 1 1 A 78 78 TRP CA C 78 57.430 45.402 12.028 1
1 402 . 17 1 1 A 78 78 TRP N N 78 120.120 105.891 14.229 1
1 403 . 17 1 1 A 79 79 ASN H H 79 8.100 7.855 0.245 1
1 406 . 17 1 1 A 79 79 ASN CA C 79 52.940 45.201 7.739 1
1 408 . 17 1 1 A 79 79 ASN N N 79 118.800 108.369 10.431 1
1 409 . 17 1 1 A 80 80 LYS H H 80 7.910 8.809 -0.899 1
1 416 . 17 1 1 A 80 80 LYS CA C 80 54.390 45.419 8.971 1
1 421 . 17 1 1 A 80 80 LYS N N 80 121.480 114.523 6.957 1
1 422 . 17 1 1 A 81 81 PRO HA H 81 4.500 4.832 -0.332 1
1 427 . 17 1 1 A 81 81 PRO CA C 81 63.250 57.218 6.032 1
1 428 . 17 1 1 A 81 81 PRO CB C 81 32.180 30.296 1.884 1
1 431 . 17 1 1 A 82 82 SER H H 82 8.270 7.500 0.770 1
1 434 . 17 1 1 A 82 82 SER CA C 82 58.240 45.326 12.914 1
1 436 . 17 1 1 A 82 82 SER N N 82 115.480 108.814 6.666 1
1 437 . 17 1 1 A 83 83 LYS H H 83 8.190 6.770 1.420 1
1 438 . 17 1 1 A 83 83 LYS HA H 83 4.620 4.112 0.508 1
1 441 . 17 1 1 A 83 83 LYS CA C 83 54.300 54.133 0.167 1
1 442 . 17 1 1 A 83 83 LYS CB C 83 32.840 28.289 4.551 1
1 443 . 17 1 1 A 83 83 LYS N N 83 123.660 118.404 5.256 1
1 444 . 17 1 1 A 84 84 PRO HA H 84 4.460 4.508 -0.048 1
1 450 . 17 1 1 A 84 84 PRO CA C 84 63.460 62.786 0.674 1
1 451 . 17 1 1 A 84 84 PRO CB C 84 32.040 32.951 -0.911 1
1 454 . 17 1 1 A 85 85 LYS H H 85 7.870 7.813 0.057 1
1 455 . 17 1 1 A 85 85 LYS HA H 85 4.210 4.633 -0.423 1
1 461 . 17 1 1 A 85 85 LYS CA C 85 57.390 55.576 1.814 1
1 462 . 17 1 1 A 85 85 LYS CB C 85 34.180 31.032 3.148 1
1 297 . 18 1 1 A 59 59 GLY CA C 59 45.320 53.778 -8.458 1
1 299 . 18 1 1 A 60 60 TRP HA H 60 4.620 5.265 -0.645 1
1 305 . 18 1 1 A 60 60 TRP CA C 60 57.560 63.117 -5.557 1
1 306 . 18 1 1 A 60 60 TRP CB C 60 29.600 33.405 -3.805 1
1 307 . 18 1 1 A 60 60 TRP N N 60 120.520 135.277 -14.757 1
1 308 . 18 1 1 A 61 61 GLY H H 61 8.350 8.895 -0.545 1
1 310 . 18 1 1 A 61 61 GLY CA C 61 45.500 58.053 -12.553 1
1 311 . 18 1 1 A 61 61 GLY N N 61 109.850 122.622 -12.772 1
1 312 . 18 1 1 A 62 62 GLN H H 62 7.990 8.030 -0.040 1
1 317 . 18 1 1 A 62 62 GLN CA C 62 53.540 45.733 7.807 1
1 320 . 18 1 1 A 62 62 GLN N N 62 119.560 105.019 14.541 1
1 328 . 18 1 1 A 63 63 PRO CA C 63 63.250 45.913 17.337 1
1 332 . 18 1 1 A 64 64 HIS H H 64 8.480 9.107 -0.627 1
1 336 . 18 1 1 A 64 64 HIS CA C 64 55.260 45.451 9.809 1
1 338 . 18 1 1 A 64 64 HIS N N 64 117.670 115.354 2.316 1
1 339 . 18 1 1 A 65 65 GLY H H 65 8.360 7.833 0.527 1
1 340 . 18 1 1 A 65 65 GLY CA C 65 45.500 57.171 -11.671 1
1 341 . 18 1 1 A 65 65 GLY N N 65 109.220 116.979 -7.759 1
1 343 . 18 1 1 A 67 67 GLY CA C 67 45.320 53.953 -8.633 1
1 345 . 18 1 1 A 68 68 TRP HA H 68 4.620 4.471 0.149 1
1 351 . 18 1 1 A 68 68 TRP CA C 68 57.560 62.635 -5.075 1
1 352 . 18 1 1 A 68 68 TRP CB C 68 29.600 32.576 -2.976 1
1 353 . 18 1 1 A 68 68 TRP N N 68 120.520 135.007 -14.487 1
1 354 . 18 1 1 A 69 69 GLY H H 69 8.350 7.978 0.372 1
1 356 . 18 1 1 A 69 69 GLY CA C 69 45.500 56.767 -11.267 1
1 357 . 18 1 1 A 69 69 GLY N N 69 109.850 118.449 -8.599 1
1 358 . 18 1 1 A 70 70 GLN H H 70 7.990 7.422 0.568 1
1 363 . 18 1 1 A 70 70 GLN CA C 70 53.540 45.672 7.868 1
1 366 . 18 1 1 A 70 70 GLN N N 70 119.560 106.214 13.346 1
1 367 . 18 1 1 A 74 74 THR H H 74 8.010 7.382 0.628 1
1 371 . 18 1 1 A 74 74 THR CA C 74 62.180 45.192 16.988 1
1 374 . 18 1 1 A 74 74 THR N N 74 112.660 108.718 3.942 1
1 375 . 18 1 1 A 75 75 HIS H H 75 8.440 6.660 1.780 1
1 376 . 18 1 1 A 75 75 HIS HA H 75 4.720 4.119 0.601 1
1 379 . 18 1 1 A 75 75 HIS CA C 75 55.440 54.081 1.359 1
1 380 . 18 1 1 A 75 75 HIS CB C 75 28.690 28.291 0.399 1
1 381 . 18 1 1 A 75 75 HIS N N 75 119.560 118.319 1.241 1
1 383 . 18 1 1 A 76 76 ASN HA H 76 4.670 4.726 -0.056 1
1 385 . 18 1 1 A 76 76 ASN CA C 76 53.250 62.822 -9.572 1
1 386 . 18 1 1 A 76 76 ASN CB C 76 39.050 32.950 6.100 1
1 387 . 18 1 1 A 76 76 ASN N N 76 118.870 135.602 -16.732 1
1 388 . 18 1 1 A 77 77 GLN H H 77 8.350 8.704 -0.354 1
1 389 . 18 1 1 A 77 77 GLN HA H 77 4.240 4.649 -0.409 1
1 393 . 18 1 1 A 77 77 GLN CA C 77 56.420 57.800 -1.380 1
1 394 . 18 1 1 A 77 77 GLN CB C 77 29.200 31.341 -2.141 1
1 396 . 18 1 1 A 77 77 GLN N N 77 119.470 122.085 -2.615 1
1 397 . 18 1 1 A 78 78 TRP H H 78 8.080 7.920 0.160 1
1 400 . 18 1 1 A 78 78 TRP CA C 78 57.430 45.588 11.842 1
1 402 . 18 1 1 A 78 78 TRP N N 78 120.120 104.518 15.602 1
1 403 . 18 1 1 A 79 79 ASN H H 79 8.100 7.967 0.133 1
1 406 . 18 1 1 A 79 79 ASN CA C 79 52.940 45.255 7.685 1
1 408 . 18 1 1 A 79 79 ASN N N 79 118.800 108.141 10.659 1
1 409 . 18 1 1 A 80 80 LYS H H 80 7.910 8.826 -0.916 1
1 416 . 18 1 1 A 80 80 LYS CA C 80 54.390 45.364 9.026 1
1 421 . 18 1 1 A 80 80 LYS N N 80 121.480 114.569 6.911 1
1 422 . 18 1 1 A 81 81 PRO HA H 81 4.500 4.865 -0.365 1
1 427 . 18 1 1 A 81 81 PRO CA C 81 63.250 57.235 6.015 1
1 428 . 18 1 1 A 81 81 PRO CB C 81 32.180 30.208 1.972 1
1 431 . 18 1 1 A 82 82 SER H H 82 8.270 7.482 0.788 1
1 434 . 18 1 1 A 82 82 SER CA C 82 58.240 45.407 12.833 1
1 436 . 18 1 1 A 82 82 SER N N 82 115.480 108.852 6.628 1
1 437 . 18 1 1 A 83 83 LYS H H 83 8.190 6.770 1.420 1
1 438 . 18 1 1 A 83 83 LYS HA H 83 4.620 4.175 0.445 1
1 441 . 18 1 1 A 83 83 LYS CA C 83 54.300 54.138 0.162 1
1 442 . 18 1 1 A 83 83 LYS CB C 83 32.840 28.277 4.563 1
1 443 . 18 1 1 A 83 83 LYS N N 83 123.660 118.422 5.238 1
1 444 . 18 1 1 A 84 84 PRO HA H 84 4.460 4.755 -0.295 1
1 450 . 18 1 1 A 84 84 PRO CA C 84 63.460 62.710 0.750 1
1 451 . 18 1 1 A 84 84 PRO CB C 84 32.040 32.537 -0.497 1
1 454 . 18 1 1 A 85 85 LYS H H 85 7.870 8.656 -0.786 1
1 455 . 18 1 1 A 85 85 LYS HA H 85 4.210 4.816 -0.606 1
1 461 . 18 1 1 A 85 85 LYS CA C 85 57.390 54.879 2.511 1
1 462 . 18 1 1 A 85 85 LYS CB C 85 34.180 31.317 2.863 1
1 297 . 19 1 1 A 59 59 GLY CA C 59 45.320 55.785 -10.465 1
1 299 . 19 1 1 A 60 60 TRP HA H 60 4.620 4.651 -0.031 1
1 305 . 19 1 1 A 60 60 TRP CA C 60 57.560 62.785 -5.225 1
1 306 . 19 1 1 A 60 60 TRP CB C 60 29.600 32.621 -3.021 1
1 307 . 19 1 1 A 60 60 TRP N N 60 120.520 136.333 -15.813 1
1 308 . 19 1 1 A 61 61 GLY H H 61 8.350 8.925 -0.575 1
1 310 . 19 1 1 A 61 61 GLY CA C 61 45.500 58.672 -13.172 1
1 311 . 19 1 1 A 61 61 GLY N N 61 109.850 120.845 -10.995 1
1 312 . 19 1 1 A 62 62 GLN H H 62 7.990 7.936 0.054 1
1 317 . 19 1 1 A 62 62 GLN CA C 62 53.540 45.543 7.997 1
1 320 . 19 1 1 A 62 62 GLN N N 62 119.560 105.873 13.687 1
1 328 . 19 1 1 A 63 63 PRO CA C 63 63.250 45.284 17.966 1
1 332 . 19 1 1 A 64 64 HIS H H 64 8.480 8.865 -0.385 1
1 336 . 19 1 1 A 64 64 HIS CA C 64 55.260 45.542 9.718 1
1 338 . 19 1 1 A 64 64 HIS N N 64 117.670 114.574 3.096 1
1 339 . 19 1 1 A 65 65 GLY H H 65 8.360 7.851 0.509 1
1 340 . 19 1 1 A 65 65 GLY CA C 65 45.500 57.212 -11.712 1
1 341 . 19 1 1 A 65 65 GLY N N 65 109.220 116.964 -7.744 1
1 343 . 19 1 1 A 67 67 GLY CA C 67 45.320 53.400 -8.080 1
1 345 . 19 1 1 A 68 68 TRP HA H 68 4.620 4.734 -0.114 1
1 351 . 19 1 1 A 68 68 TRP CA C 68 57.560 62.788 -5.228 1
1 352 . 19 1 1 A 68 68 TRP CB C 68 29.600 33.099 -3.499 1
1 353 . 19 1 1 A 68 68 TRP N N 68 120.520 135.278 -14.758 1
1 354 . 19 1 1 A 69 69 GLY H H 69 8.350 8.690 -0.340 1
1 356 . 19 1 1 A 69 69 GLY CA C 69 45.500 57.797 -12.297 1
1 357 . 19 1 1 A 69 69 GLY N N 69 109.850 121.885 -12.035 1
1 358 . 19 1 1 A 70 70 GLN H H 70 7.990 7.915 0.075 1
1 363 . 19 1 1 A 70 70 GLN CA C 70 53.540 45.594 7.946 1
1 366 . 19 1 1 A 70 70 GLN N N 70 119.560 104.516 15.044 1
1 367 . 19 1 1 A 74 74 THR H H 74 8.010 7.481 0.529 1
1 371 . 19 1 1 A 74 74 THR CA C 74 62.180 45.175 17.005 1
1 374 . 19 1 1 A 74 74 THR N N 74 112.660 108.732 3.928 1
1 375 . 19 1 1 A 75 75 HIS H H 75 8.440 6.627 1.813 1
1 376 . 19 1 1 A 75 75 HIS HA H 75 4.720 4.050 0.670 1
1 379 . 19 1 1 A 75 75 HIS CA C 75 55.440 54.024 1.416 1
1 380 . 19 1 1 A 75 75 HIS CB C 75 28.690 28.298 0.392 1
1 381 . 19 1 1 A 75 75 HIS N N 75 119.560 118.277 1.283 1
1 383 . 19 1 1 A 76 76 ASN HA H 76 4.670 4.721 -0.051 1
1 385 . 19 1 1 A 76 76 ASN CA C 76 53.250 62.830 -9.580 1
1 386 . 19 1 1 A 76 76 ASN CB C 76 39.050 32.286 6.764 1
1 387 . 19 1 1 A 76 76 ASN N N 76 118.870 135.420 -16.550 1
1 388 . 19 1 1 A 77 77 GLN H H 77 8.350 8.871 -0.521 1
1 389 . 19 1 1 A 77 77 GLN HA H 77 4.240 4.463 -0.223 1
1 393 . 19 1 1 A 77 77 GLN CA C 77 56.420 58.826 -2.406 1
1 394 . 19 1 1 A 77 77 GLN CB C 77 29.200 30.887 -1.687 1
1 396 . 19 1 1 A 77 77 GLN N N 77 119.470 123.680 -4.210 1
1 397 . 19 1 1 A 78 78 TRP H H 78 8.080 7.934 0.146 1
1 400 . 19 1 1 A 78 78 TRP CA C 78 57.430 45.700 11.730 1
1 402 . 19 1 1 A 78 78 TRP N N 78 120.120 104.809 15.311 1
1 403 . 19 1 1 A 79 79 ASN H H 79 8.100 7.433 0.667 1
1 406 . 19 1 1 A 79 79 ASN CA C 79 52.940 45.853 7.087 1
1 408 . 19 1 1 A 79 79 ASN N N 79 118.800 104.928 13.872 1
1 409 . 19 1 1 A 80 80 LYS H H 80 7.910 9.010 -1.100 1
1 416 . 19 1 1 A 80 80 LYS CA C 80 54.390 45.417 8.973 1
1 421 . 19 1 1 A 80 80 LYS N N 80 121.480 115.272 6.208 1
1 422 . 19 1 1 A 81 81 PRO HA H 81 4.500 4.889 -0.389 1
1 427 . 19 1 1 A 81 81 PRO CA C 81 63.250 57.257 5.993 1
1 428 . 19 1 1 A 81 81 PRO CB C 81 32.180 30.307 1.873 1
1 431 . 19 1 1 A 82 82 SER H H 82 8.270 7.474 0.796 1
1 434 . 19 1 1 A 82 82 SER CA C 82 58.240 45.349 12.891 1
1 436 . 19 1 1 A 82 82 SER N N 82 115.480 108.819 6.661 1
1 437 . 19 1 1 A 83 83 LYS H H 83 8.190 6.752 1.438 1
1 438 . 19 1 1 A 83 83 LYS HA H 83 4.620 4.184 0.436 1
1 441 . 19 1 1 A 83 83 LYS CA C 83 54.300 54.174 0.126 1
1 442 . 19 1 1 A 83 83 LYS CB C 83 32.840 28.387 4.453 1
1 443 . 19 1 1 A 83 83 LYS N N 83 123.660 118.429 5.231 1
1 444 . 19 1 1 A 84 84 PRO HA H 84 4.460 4.751 -0.291 1
1 450 . 19 1 1 A 84 84 PRO CA C 84 63.460 62.794 0.666 1
1 451 . 19 1 1 A 84 84 PRO CB C 84 32.040 32.994 -0.954 1
1 454 . 19 1 1 A 85 85 LYS H H 85 7.870 8.914 -1.044 1
1 455 . 19 1 1 A 85 85 LYS HA H 85 4.210 4.460 -0.250 1
1 461 . 19 1 1 A 85 85 LYS CA C 85 57.390 58.908 -1.518 1
1 462 . 19 1 1 A 85 85 LYS CB C 85 34.180 31.456 2.724 1
1 297 . 20 1 1 A 59 59 GLY CA C 59 45.320 53.190 -7.870 1
1 299 . 20 1 1 A 60 60 TRP HA H 60 4.620 4.846 -0.226 1
1 305 . 20 1 1 A 60 60 TRP CA C 60 57.560 62.922 -5.362 1
1 306 . 20 1 1 A 60 60 TRP CB C 60 29.600 32.751 -3.151 1
1 307 . 20 1 1 A 60 60 TRP N N 60 120.520 134.639 -14.119 1
1 308 . 20 1 1 A 61 61 GLY H H 61 8.350 8.886 -0.536 1
1 310 . 20 1 1 A 61 61 GLY CA C 61 45.500 58.473 -12.973 1
1 311 . 20 1 1 A 61 61 GLY N N 61 109.850 123.193 -13.343 1
1 312 . 20 1 1 A 62 62 GLN H H 62 7.990 8.137 -0.147 1
1 317 . 20 1 1 A 62 62 GLN CA C 62 53.540 45.798 7.742 1
1 320 . 20 1 1 A 62 62 GLN N N 62 119.560 105.555 14.005 1
1 328 . 20 1 1 A 63 63 PRO CA C 63 63.250 45.678 17.572 1
1 332 . 20 1 1 A 64 64 HIS H H 64 8.480 7.713 0.767 1
1 336 . 20 1 1 A 64 64 HIS CA C 64 55.260 45.404 9.856 1
1 338 . 20 1 1 A 64 64 HIS N N 64 117.670 104.905 12.765 1
1 339 . 20 1 1 A 65 65 GLY H H 65 8.360 8.141 0.219 1
1 340 . 20 1 1 A 65 65 GLY CA C 65 45.500 57.313 -11.813 1
1 341 . 20 1 1 A 65 65 GLY N N 65 109.220 118.565 -9.345 1
1 343 . 20 1 1 A 67 67 GLY CA C 67 45.320 54.101 -8.781 1
1 345 . 20 1 1 A 68 68 TRP HA H 68 4.620 4.655 -0.035 1
1 351 . 20 1 1 A 68 68 TRP CA C 68 57.560 63.087 -5.527 1
1 352 . 20 1 1 A 68 68 TRP CB C 68 29.600 32.512 -2.912 1
1 353 . 20 1 1 A 68 68 TRP N N 68 120.520 135.511 -14.991 1
1 354 . 20 1 1 A 69 69 GLY H H 69 8.350 8.694 -0.344 1
1 356 . 20 1 1 A 69 69 GLY CA C 69 45.500 55.436 -9.936 1
1 357 . 20 1 1 A 69 69 GLY N N 69 109.850 122.440 -12.590 1
1 358 . 20 1 1 A 70 70 GLN H H 70 7.990 7.834 0.156 1
1 363 . 20 1 1 A 70 70 GLN CA C 70 53.540 45.513 8.027 1
1 366 . 20 1 1 A 70 70 GLN N N 70 119.560 105.998 13.562 1
1 367 . 20 1 1 A 74 74 THR H H 74 8.010 7.369 0.641 1
1 371 . 20 1 1 A 74 74 THR CA C 74 62.180 44.886 17.294 1
1 374 . 20 1 1 A 74 74 THR N N 74 112.660 108.111 4.549 1
1 375 . 20 1 1 A 75 75 HIS H H 75 8.440 6.899 1.541 1
1 376 . 20 1 1 A 75 75 HIS HA H 75 4.720 4.428 0.292 1
1 379 . 20 1 1 A 75 75 HIS CA C 75 55.440 53.219 2.221 1
1 380 . 20 1 1 A 75 75 HIS CB C 75 28.690 29.678 -0.988 1
1 381 . 20 1 1 A 75 75 HIS N N 75 119.560 117.819 1.741 1
1 383 . 20 1 1 A 76 76 ASN HA H 76 4.670 4.743 -0.073 1
1 385 . 20 1 1 A 76 76 ASN CA C 76 53.250 62.838 -9.588 1
1 386 . 20 1 1 A 76 76 ASN CB C 76 39.050 32.557 6.493 1
1 387 . 20 1 1 A 76 76 ASN N N 76 118.870 134.723 -15.853 1
1 388 . 20 1 1 A 77 77 GLN H H 77 8.350 8.808 -0.458 1
1 389 . 20 1 1 A 77 77 GLN HA H 77 4.240 4.600 -0.360 1
1 393 . 20 1 1 A 77 77 GLN CA C 77 56.420 58.040 -1.620 1
1 394 . 20 1 1 A 77 77 GLN CB C 77 29.200 31.028 -1.828 1
1 396 . 20 1 1 A 77 77 GLN N N 77 119.470 122.849 -3.379 1
1 397 . 20 1 1 A 78 78 TRP H H 78 8.080 7.993 0.087 1
1 400 . 20 1 1 A 78 78 TRP CA C 78 57.430 45.755 11.675 1
1 402 . 20 1 1 A 78 78 TRP N N 78 120.120 105.482 14.638 1
1 403 . 20 1 1 A 79 79 ASN H H 79 8.100 7.642 0.458 1
1 406 . 20 1 1 A 79 79 ASN CA C 79 52.940 46.118 6.822 1
1 408 . 20 1 1 A 79 79 ASN N N 79 118.800 106.421 12.379 1
1 409 . 20 1 1 A 80 80 LYS H H 80 7.910 7.939 -0.029 1
1 416 . 20 1 1 A 80 80 LYS CA C 80 54.390 44.852 9.538 1
1 421 . 20 1 1 A 80 80 LYS N N 80 121.480 104.718 16.762 1
1 422 . 20 1 1 A 81 81 PRO HA H 81 4.500 4.791 -0.291 1
1 427 . 20 1 1 A 81 81 PRO CA C 81 63.250 57.322 5.928 1
1 428 . 20 1 1 A 81 81 PRO CB C 81 32.180 30.063 2.117 1
1 431 . 20 1 1 A 82 82 SER H H 82 8.270 7.574 0.696 1
1 434 . 20 1 1 A 82 82 SER CA C 82 58.240 45.405 12.835 1
1 436 . 20 1 1 A 82 82 SER N N 82 115.480 109.159 6.321 1
1 437 . 20 1 1 A 83 83 LYS H H 83 8.190 6.858 1.332 1
1 438 . 20 1 1 A 83 83 LYS HA H 83 4.620 4.239 0.381 1
1 441 . 20 1 1 A 83 83 LYS CA C 83 54.300 54.200 0.100 1
1 442 . 20 1 1 A 83 83 LYS CB C 83 32.840 28.385 4.455 1
1 443 . 20 1 1 A 83 83 LYS N N 83 123.660 118.444 5.216 1
1 444 . 20 1 1 A 84 84 PRO HA H 84 4.460 4.619 -0.159 1
1 450 . 20 1 1 A 84 84 PRO CA C 84 63.460 62.693 0.767 1
1 451 . 20 1 1 A 84 84 PRO CB C 84 32.040 32.454 -0.414 1
1 454 . 20 1 1 A 85 85 LYS H H 85 7.870 8.119 -0.249 1
1 455 . 20 1 1 A 85 85 LYS HA H 85 4.210 5.327 -1.117 1
1 461 . 20 1 1 A 85 85 LYS CA C 85 57.390 54.123 3.267 1
1 462 . 20 1 1 A 85 85 LYS CB C 85 34.180 31.607 2.573 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 23 9.456 1
3 1 1 1 "RMS(OBS, PRED)" CB 9 3.513 1
4 1 1 1 "RMS(OBS, PRED)" H 15 0.785 1
5 1 1 1 "RMS(OBS, PRED)" HA 9 0.309 1
6 1 1 1 "RMS(OBS, PRED)" N 17 11.112 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 23 9.724 1
9 1 2 1 "RMS(OBS, PRED)" CB 9 3.288 1
10 1 2 1 "RMS(OBS, PRED)" H 15 0.787 1
11 1 2 1 "RMS(OBS, PRED)" HA 9 0.365 1
12 1 2 1 "RMS(OBS, PRED)" N 17 11.020 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 23 9.701 1
15 1 3 1 "RMS(OBS, PRED)" CB 9 3.450 1
16 1 3 1 "RMS(OBS, PRED)" H 15 0.700 1
17 1 3 1 "RMS(OBS, PRED)" HA 9 0.286 1
18 1 3 1 "RMS(OBS, PRED)" N 17 12.176 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 23 9.440 1
21 1 4 1 "RMS(OBS, PRED)" CB 9 3.538 1
22 1 4 1 "RMS(OBS, PRED)" H 15 0.873 1
23 1 4 1 "RMS(OBS, PRED)" HA 9 0.384 1
24 1 4 1 "RMS(OBS, PRED)" N 17 11.200 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 23 9.454 1
27 1 5 1 "RMS(OBS, PRED)" CB 9 3.388 1
28 1 5 1 "RMS(OBS, PRED)" H 15 0.802 1
29 1 5 1 "RMS(OBS, PRED)" HA 9 0.379 1
30 1 5 1 "RMS(OBS, PRED)" N 17 10.162 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 23 9.738 1
33 1 6 1 "RMS(OBS, PRED)" CB 9 3.444 1
34 1 6 1 "RMS(OBS, PRED)" H 15 0.824 1
35 1 6 1 "RMS(OBS, PRED)" HA 9 0.420 1
36 1 6 1 "RMS(OBS, PRED)" N 17 11.385 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 23 9.422 1
39 1 7 1 "RMS(OBS, PRED)" CB 9 3.392 1
40 1 7 1 "RMS(OBS, PRED)" H 15 0.725 1
41 1 7 1 "RMS(OBS, PRED)" HA 9 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 17 11.256 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 23 9.636 1
45 1 8 1 "RMS(OBS, PRED)" CB 9 3.415 1
46 1 8 1 "RMS(OBS, PRED)" H 15 0.778 1
47 1 8 1 "RMS(OBS, PRED)" HA 9 0.381 1
48 1 8 1 "RMS(OBS, PRED)" N 17 11.859 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 23 9.567 1
51 1 9 1 "RMS(OBS, PRED)" CB 9 3.473 1
52 1 9 1 "RMS(OBS, PRED)" H 15 0.757 1
53 1 9 1 "RMS(OBS, PRED)" HA 9 0.444 1
54 1 9 1 "RMS(OBS, PRED)" N 17 11.543 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 23 9.322 1
57 1 10 1 "RMS(OBS, PRED)" CB 9 3.356 1
58 1 10 1 "RMS(OBS, PRED)" H 15 0.809 1
59 1 10 1 "RMS(OBS, PRED)" HA 9 0.408 1
60 1 10 1 "RMS(OBS, PRED)" N 17 11.030 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 23 9.614 1
63 1 11 1 "RMS(OBS, PRED)" CB 9 3.467 1
64 1 11 1 "RMS(OBS, PRED)" H 15 0.810 1
65 1 11 1 "RMS(OBS, PRED)" HA 9 0.440 1
66 1 11 1 "RMS(OBS, PRED)" N 17 11.559 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 23 9.605 1
69 1 12 1 "RMS(OBS, PRED)" CB 9 3.331 1
70 1 12 1 "RMS(OBS, PRED)" H 15 0.815 1
71 1 12 1 "RMS(OBS, PRED)" HA 9 0.356 1
72 1 12 1 "RMS(OBS, PRED)" N 17 11.630 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 23 9.742 1
75 1 13 1 "RMS(OBS, PRED)" CB 9 3.254 1
76 1 13 1 "RMS(OBS, PRED)" H 15 0.823 1
77 1 13 1 "RMS(OBS, PRED)" HA 9 0.378 1
78 1 13 1 "RMS(OBS, PRED)" N 17 11.561 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 23 9.282 1
81 1 14 1 "RMS(OBS, PRED)" CB 9 3.402 1
82 1 14 1 "RMS(OBS, PRED)" H 15 0.797 1
83 1 14 1 "RMS(OBS, PRED)" HA 9 0.359 1
84 1 14 1 "RMS(OBS, PRED)" N 17 11.589 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 23 9.478 1
87 1 15 1 "RMS(OBS, PRED)" CB 9 3.461 1
88 1 15 1 "RMS(OBS, PRED)" H 15 0.879 1
89 1 15 1 "RMS(OBS, PRED)" HA 9 0.369 1
90 1 15 1 "RMS(OBS, PRED)" N 17 11.618 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 23 9.511 1
93 1 16 1 "RMS(OBS, PRED)" CB 9 3.270 1
94 1 16 1 "RMS(OBS, PRED)" H 15 0.832 1
95 1 16 1 "RMS(OBS, PRED)" HA 9 0.307 1
96 1 16 1 "RMS(OBS, PRED)" N 17 11.284 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 23 9.407 1
99 1 17 1 "RMS(OBS, PRED)" CB 9 3.463 1
100 1 17 1 "RMS(OBS, PRED)" H 15 0.795 1
101 1 17 1 "RMS(OBS, PRED)" HA 9 0.388 1
102 1 17 1 "RMS(OBS, PRED)" N 17 11.128 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 23 9.572 1
105 1 18 1 "RMS(OBS, PRED)" CB 9 3.508 1
106 1 18 1 "RMS(OBS, PRED)" H 15 0.813 1
107 1 18 1 "RMS(OBS, PRED)" HA 9 0.468 1
108 1 18 1 "RMS(OBS, PRED)" N 17 10.897 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 23 9.764 1
111 1 19 1 "RMS(OBS, PRED)" CB 9 3.567 1
112 1 19 1 "RMS(OBS, PRED)" H 15 0.852 1
113 1 19 1 "RMS(OBS, PRED)" HA 9 0.354 1
114 1 19 1 "RMS(OBS, PRED)" N 17 11.354 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 23 9.579 1
117 1 20 1 "RMS(OBS, PRED)" CB 9 3.464 1
118 1 20 1 "RMS(OBS, PRED)" H 15 0.688 1
119 1 20 1 "RMS(OBS, PRED)" HA 9 0.471 1
120 1 20 1 "RMS(OBS, PRED)" N 17 12.230 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
1 297 . 1 1 A 59 59 GLY CA C 59 45.320 54.158 -8.838 2
1 299 . 1 1 A 60 60 TRP HA H 60 4.620 4.747 -0.127 2
1 305 . 1 1 A 60 60 TRP CA C 60 57.560 62.845 -5.285 2
1 306 . 1 1 A 60 60 TRP CB C 60 29.600 32.617 -3.017 2
1 307 . 1 1 A 60 60 TRP N N 60 120.520 135.690 -15.170 2
1 308 . 1 1 A 61 61 GLY H H 61 8.350 8.779 -0.429 2
1 310 . 1 1 A 61 61 GLY CA C 61 45.500 57.442 -11.942 2
1 311 . 1 1 A 61 61 GLY N N 61 109.850 121.518 -11.668 2
1 312 . 1 1 A 62 62 GLN H H 62 7.990 7.782 0.208 2
1 317 . 1 1 A 62 62 GLN CA C 62 53.540 45.607 7.933 2
1 320 . 1 1 A 62 62 GLN N N 62 119.560 106.216 13.344 2
1 328 . 1 1 A 63 63 PRO CA C 63 63.250 45.824 17.426 2
1 332 . 1 1 A 64 64 HIS H H 64 8.480 8.434 0.046 2
1 336 . 1 1 A 64 64 HIS CA C 64 55.260 45.622 9.638 2
1 338 . 1 1 A 64 64 HIS N N 64 117.670 109.827 7.843 2
1 339 . 1 1 A 65 65 GLY H H 65 8.360 8.046 0.314 2
1 340 . 1 1 A 65 65 GLY CA C 65 45.500 57.256 -11.756 2
1 341 . 1 1 A 65 65 GLY N N 65 109.220 118.121 -8.900 2
1 343 . 1 1 A 67 67 GLY CA C 67 45.320 53.855 -8.535 2
1 345 . 1 1 A 68 68 TRP HA H 68 4.620 4.649 -0.029 2
1 351 . 1 1 A 68 68 TRP CA C 68 57.560 62.765 -5.205 2
1 352 . 1 1 A 68 68 TRP CB C 68 29.600 32.700 -3.100 2
1 353 . 1 1 A 68 68 TRP N N 68 120.520 135.508 -14.988 2
1 354 . 1 1 A 69 69 GLY H H 69 8.350 8.396 -0.046 2
1 356 . 1 1 A 69 69 GLY CA C 69 45.500 56.566 -11.066 2
1 357 . 1 1 A 69 69 GLY N N 69 109.850 120.107 -10.257 2
1 358 . 1 1 A 70 70 GLN H H 70 7.990 7.780 0.210 2
1 363 . 1 1 A 70 70 GLN CA C 70 53.540 45.644 7.896 2
1 366 . 1 1 A 70 70 GLN N N 70 119.560 106.866 12.694 2
1 367 . 1 1 A 74 74 THR H H 74 8.010 7.451 0.559 2
1 371 . 1 1 A 74 74 THR CA C 74 62.180 45.112 17.068 2
1 374 . 1 1 A 74 74 THR N N 74 112.660 108.477 4.183 2
1 375 . 1 1 A 75 75 HIS H H 75 8.440 6.780 1.660 2
1 376 . 1 1 A 75 75 HIS HA H 75 4.720 4.101 0.619 2
1 379 . 1 1 A 75 75 HIS CA C 75 55.440 53.811 1.629 2
1 380 . 1 1 A 75 75 HIS CB C 75 28.690 28.651 0.039 2
1 381 . 1 1 A 75 75 HIS N N 75 119.560 118.299 1.261 2
1 383 . 1 1 A 76 76 ASN HA H 76 4.670 4.679 -0.009 2
1 385 . 1 1 A 76 76 ASN CA C 76 53.250 62.788 -9.538 2
1 386 . 1 1 A 76 76 ASN CB C 76 39.050 32.690 6.360 2
1 387 . 1 1 A 76 76 ASN N N 76 118.870 135.463 -16.593 2
1 388 . 1 1 A 77 77 GLN H H 77 8.350 8.552 -0.202 2
1 389 . 1 1 A 77 77 GLN HA H 77 4.240 4.588 -0.348 2
1 393 . 1 1 A 77 77 GLN CA C 77 56.420 57.365 -0.945 2
1 394 . 1 1 A 77 77 GLN CB C 77 29.200 30.970 -1.770 2
1 396 . 1 1 A 77 77 GLN N N 77 119.470 121.257 -1.787 2
1 397 . 1 1 A 78 78 TRP H H 78 8.080 7.833 0.247 2
1 400 . 1 1 A 78 78 TRP CA C 78 57.430 45.698 11.732 2
1 402 . 1 1 A 78 78 TRP N N 78 120.120 106.183 13.937 2
1 403 . 1 1 A 79 79 ASN H H 79 8.100 7.715 0.385 2
1 406 . 1 1 A 79 79 ASN CA C 79 52.940 45.703 7.237 2
1 408 . 1 1 A 79 79 ASN N N 79 118.800 106.658 12.142 2
1 409 . 1 1 A 80 80 LYS H H 80 7.910 8.407 -0.497 2
1 416 . 1 1 A 80 80 LYS CA C 80 54.390 45.226 9.164 2
1 421 . 1 1 A 80 80 LYS N N 80 121.480 110.898 10.582 2
1 422 . 1 1 A 81 81 PRO HA H 81 4.500 4.824 -0.324 2
1 427 . 1 1 A 81 81 PRO CA C 81 63.250 57.263 5.987 2
1 428 . 1 1 A 81 81 PRO CB C 81 32.180 30.163 2.017 2
1 431 . 1 1 A 82 82 SER H H 82 8.270 7.454 0.816 2
1 434 . 1 1 A 82 82 SER CA C 82 58.240 45.172 13.068 2
1 436 . 1 1 A 82 82 SER N N 82 115.480 108.506 6.974 2
1 437 . 1 1 A 83 83 LYS H H 83 8.190 6.781 1.409 2
1 438 . 1 1 A 83 83 LYS HA H 83 4.620 4.159 0.461 2
1 441 . 1 1 A 83 83 LYS CA C 83 54.300 53.883 0.417 2
1 442 . 1 1 A 83 83 LYS CB C 83 32.840 28.597 4.243 2
1 443 . 1 1 A 83 83 LYS N N 83 123.660 118.365 5.295 2
1 444 . 1 1 A 84 84 PRO HA H 84 4.460 4.678 -0.218 2
1 450 . 1 1 A 84 84 PRO CA C 84 63.460 62.765 0.695 2
1 451 . 1 1 A 84 84 PRO CB C 84 32.040 32.730 -0.690 2
1 454 . 1 1 A 85 85 LYS H H 85 7.870 8.669 -0.799 2
1 455 . 1 1 A 85 85 LYS HA H 85 4.210 4.614 -0.404 2
1 461 . 1 1 A 85 85 LYS CA C 85 57.390 57.465 -0.075 2
1 462 . 1 1 A 85 85 LYS CB C 85 34.180 31.356 2.824 2
stop_
save_