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_