################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11074 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N CRINEPT HMQC TROSY' . . . 11074 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 393 393 SER H H 1 9.304 0.02 . 1 . . . . 393 SER H . 11074 1 2 . 1 1 393 393 SER N N 15 118.964 0.1 . 1 . . . . 393 SER N . 11074 1 3 . 1 1 395 395 GLU H H 1 8.597 0.02 . 1 . . . . 395 GLU H . 11074 1 4 . 1 1 395 395 GLU N N 15 119.303 0.1 . 1 . . . . 395 GLU N . 11074 1 5 . 1 1 396 396 ASP H H 1 7.786 0.02 . 1 . . . . 396 ASP H . 11074 1 6 . 1 1 396 396 ASP N N 15 121.268 0.1 . 1 . . . . 396 ASP N . 11074 1 7 . 1 1 397 397 LYS H H 1 8.589 0.02 . 1 . . . . 397 LYS H . 11074 1 8 . 1 1 397 397 LYS N N 15 119.730 0.1 . 1 . . . . 397 LYS N . 11074 1 9 . 1 1 398 398 LEU H H 1 7.490 0.02 . 1 . . . . 398 LEU H . 11074 1 10 . 1 1 398 398 LEU N N 15 120.756 0.1 . 1 . . . . 398 LEU N . 11074 1 11 . 1 1 399 399 VAL H H 1 7.791 0.02 . 1 . . . . 399 VAL H . 11074 1 12 . 1 1 399 399 VAL N N 15 120.860 0.1 . 1 . . . . 399 VAL N . 11074 1 13 . 1 1 400 400 VAL H H 1 7.924 0.02 . 1 . . . . 400 VAL H . 11074 1 14 . 1 1 400 400 VAL N N 15 118.538 0.1 . 1 . . . . 400 VAL N . 11074 1 15 . 1 1 401 401 HIS H H 1 7.831 0.02 . 1 . . . . 401 HIS H . 11074 1 16 . 1 1 401 401 HIS N N 15 117.908 0.1 . 1 . . . . 401 HIS N . 11074 1 17 . 1 1 402 402 ARG H H 1 8.505 0.02 . 1 . . . . 402 ARG H . 11074 1 18 . 1 1 402 402 ARG N N 15 116.475 0.1 . 1 . . . . 402 ARG N . 11074 1 19 . 1 1 403 403 ALA H H 1 9.444 0.02 . 1 . . . . 403 ALA H . 11074 1 20 . 1 1 403 403 ALA N N 15 122.360 0.1 . 1 . . . . 403 ALA N . 11074 1 21 . 1 1 404 404 ARG H H 1 7.517 0.02 . 1 . . . . 404 ARG H . 11074 1 22 . 1 1 404 404 ARG N N 15 114.074 0.1 . 1 . . . . 404 ARG N . 11074 1 23 . 1 1 405 405 ARG H H 1 5.733 0.02 . 1 . . . . 405 ARG H . 11074 1 24 . 1 1 405 405 ARG N N 15 114.701 0.1 . 1 . . . . 405 ARG N . 11074 1 25 . 1 1 406 406 ILE H H 1 8.378 0.02 . 1 . . . . 406 ILE H . 11074 1 26 . 1 1 406 406 ILE N N 15 119.762 0.1 . 1 . . . . 406 ILE N . 11074 1 27 . 1 1 407 407 GLN H H 1 8.624 0.02 . 1 . . . . 407 GLN H . 11074 1 28 . 1 1 407 407 GLN N N 15 117.065 0.1 . 1 . . . . 407 GLN N . 11074 1 29 . 1 1 408 408 PHE H H 1 7.446 0.02 . 1 . . . . 408 PHE H . 11074 1 30 . 1 1 408 408 PHE N N 15 114.141 0.1 . 1 . . . . 408 PHE N . 11074 1 31 . 1 1 409 409 PHE H H 1 9.127 0.02 . 1 . . . . 409 PHE H . 11074 1 32 . 1 1 409 409 PHE N N 15 126.527 0.1 . 1 . . . . 409 PHE N . 11074 1 33 . 1 1 410 410 LEU H H 1 7.601 0.02 . 1 . . . . 410 LEU H . 11074 1 34 . 1 1 410 410 LEU N N 15 115.454 0.1 . 1 . . . . 410 LEU N . 11074 1 35 . 1 1 411 411 SER H H 1 8.236 0.02 . 1 . . . . 411 SER H . 11074 1 36 . 1 1 411 411 SER N N 15 119.032 0.1 . 1 . . . . 411 SER N . 11074 1 37 . 1 1 412 412 GLN H H 1 9.373 0.02 . 1 . . . . 412 GLN H . 11074 1 38 . 1 1 412 412 GLN N N 15 120.502 0.1 . 1 . . . . 412 GLN N . 11074 1 39 . 1 1 413 413 ASN H H 1 9.550 0.02 . 1 . . . . 413 ASN H . 11074 1 40 . 1 1 413 413 ASN N N 15 118.328 0.1 . 1 . . . . 413 ASN N . 11074 1 41 . 1 1 414 414 PHE H H 1 8.191 0.02 . 1 . . . . 414 PHE H . 11074 1 42 . 1 1 414 414 PHE N N 15 124.018 0.1 . 1 . . . . 414 PHE N . 11074 1 43 . 1 1 416 416 VAL H H 1 9.802 0.02 . 1 . . . . 416 VAL H . 11074 1 44 . 1 1 416 416 VAL N N 15 113.976 0.1 . 1 . . . . 416 VAL N . 11074 1 45 . 1 1 417 417 ALA H H 1 6.936 0.02 . 1 . . . . 417 ALA H . 11074 1 46 . 1 1 417 417 ALA N N 15 119.868 0.1 . 1 . . . . 417 ALA N . 11074 1 47 . 1 1 418 418 GLU H H 1 7.430 0.02 . 1 . . . . 418 GLU H . 11074 1 48 . 1 1 418 418 GLU N N 15 123.483 0.1 . 1 . . . . 418 GLU N . 11074 1 49 . 1 1 419 419 GLN H H 1 8.286 0.02 . 1 . . . . 419 GLN H . 11074 1 50 . 1 1 419 419 GLN N N 15 115.655 0.1 . 1 . . . . 419 GLN N . 11074 1 51 . 1 1 420 420 PHE H H 1 7.563 0.02 . 1 . . . . 420 PHE H . 11074 1 52 . 1 1 420 420 PHE N N 15 117.102 0.1 . 1 . . . . 420 PHE N . 11074 1 53 . 1 1 421 421 THR H H 1 8.332 0.02 . 1 . . . . 421 THR H . 11074 1 54 . 1 1 421 421 THR N N 15 110.082 0.1 . 1 . . . . 421 THR N . 11074 1 55 . 1 1 422 422 GLY H H 1 8.614 0.02 . 1 . . . . 422 GLY H . 11074 1 56 . 1 1 422 422 GLY N N 15 111.402 0.1 . 1 . . . . 422 GLY N . 11074 1 57 . 1 1 423 423 GLN H H 1 8.008 0.02 . 1 . . . . 423 GLN H . 11074 1 58 . 1 1 423 423 GLN N N 15 121.533 0.1 . 1 . . . . 423 GLN N . 11074 1 59 . 1 1 425 425 GLY H H 1 8.741 0.02 . 1 . . . . 425 GLY H . 11074 1 60 . 1 1 425 425 GLY N N 15 107.420 0.1 . 1 . . . . 425 GLY N . 11074 1 61 . 1 1 426 426 SER H H 1 7.573 0.02 . 1 . . . . 426 SER H . 11074 1 62 . 1 1 426 426 SER N N 15 109.789 0.1 . 1 . . . . 426 SER N . 11074 1 63 . 1 1 427 427 TYR H H 1 8.614 0.02 . 1 . . . . 427 TYR H . 11074 1 64 . 1 1 427 427 TYR N N 15 125.476 0.1 . 1 . . . . 427 TYR N . 11074 1 65 . 1 1 428 428 VAL H H 1 8.623 0.02 . 1 . . . . 428 VAL H . 11074 1 66 . 1 1 428 428 VAL N N 15 132.253 0.1 . 1 . . . . 428 VAL N . 11074 1 67 . 1 1 430 430 VAL H H 1 9.302 0.02 . 1 . . . . 430 VAL H . 11074 1 68 . 1 1 430 430 VAL N N 15 126.672 0.1 . 1 . . . . 430 VAL N . 11074 1 69 . 1 1 431 431 LYS H H 1 8.646 0.02 . 1 . . . . 431 LYS H . 11074 1 70 . 1 1 431 431 LYS N N 15 118.842 0.1 . 1 . . . . 431 LYS N . 11074 1 71 . 1 1 432 432 GLU H H 1 7.483 0.02 . 1 . . . . 432 GLU H . 11074 1 72 . 1 1 432 432 GLU N N 15 117.202 0.1 . 1 . . . . 432 GLU N . 11074 1 73 . 1 1 433 433 THR H H 1 8.451 0.02 . 1 . . . . 433 THR H . 11074 1 74 . 1 1 433 433 THR N N 15 126.100 0.1 . 1 . . . . 433 THR N . 11074 1 75 . 1 1 434 434 VAL H H 1 8.490 0.02 . 1 . . . . 434 VAL H . 11074 1 76 . 1 1 434 434 VAL N N 15 119.898 0.1 . 1 . . . . 434 VAL N . 11074 1 77 . 1 1 435 435 ARG H H 1 7.398 0.02 . 1 . . . . 435 ARG H . 11074 1 78 . 1 1 435 435 ARG N N 15 117.160 0.1 . 1 . . . . 435 ARG N . 11074 1 79 . 1 1 436 436 GLY H H 1 8.495 0.02 . 1 . . . . 436 GLY H . 11074 1 80 . 1 1 436 436 GLY N N 15 104.342 0.1 . 1 . . . . 436 GLY N . 11074 1 81 . 1 1 437 437 PHE H H 1 8.123 0.02 . 1 . . . . 437 PHE H . 11074 1 82 . 1 1 437 437 PHE N N 15 116.225 0.1 . 1 . . . . 437 PHE N . 11074 1 83 . 1 1 438 438 LYS H H 1 8.655 0.02 . 1 . . . . 438 LYS H . 11074 1 84 . 1 1 438 438 LYS N N 15 121.607 0.1 . 1 . . . . 438 LYS N . 11074 1 85 . 1 1 439 439 GLU H H 1 8.314 0.02 . 1 . . . . 439 GLU H . 11074 1 86 . 1 1 439 439 GLU N N 15 116.058 0.1 . 1 . . . . 439 GLU N . 11074 1 87 . 1 1 440 440 ILE H H 1 7.929 0.02 . 1 . . . . 440 ILE H . 11074 1 88 . 1 1 440 440 ILE N N 15 118.181 0.1 . 1 . . . . 440 ILE N . 11074 1 89 . 1 1 441 441 LEU H H 1 8.440 0.02 . 1 . . . . 441 LEU H . 11074 1 90 . 1 1 441 441 LEU N N 15 120.578 0.1 . 1 . . . . 441 LEU N . 11074 1 91 . 1 1 442 442 GLU H H 1 7.714 0.02 . 1 . . . . 442 GLU H . 11074 1 92 . 1 1 442 442 GLU N N 15 115.518 0.1 . 1 . . . . 442 GLU N . 11074 1 93 . 1 1 443 443 GLY H H 1 7.936 0.02 . 1 . . . . 443 GLY H . 11074 1 94 . 1 1 443 443 GLY N N 15 106.879 0.1 . 1 . . . . 443 GLY N . 11074 1 95 . 1 1 444 444 LYS H H 1 7.615 0.02 . 1 . . . . 444 LYS H . 11074 1 96 . 1 1 444 444 LYS N N 15 118.844 0.1 . 1 . . . . 444 LYS N . 11074 1 97 . 1 1 445 445 TYR H H 1 8.194 0.02 . 1 . . . . 445 TYR H . 11074 1 98 . 1 1 445 445 TYR N N 15 112.680 0.1 . 1 . . . . 445 TYR N . 11074 1 99 . 1 1 446 446 ASP H H 1 7.242 0.02 . 1 . . . . 446 ASP H . 11074 1 100 . 1 1 446 446 ASP N N 15 119.832 0.1 . 1 . . . . 446 ASP N . 11074 1 101 . 1 1 448 448 LEU H H 1 7.214 0.02 . 1 . . . . 448 LEU H . 11074 1 102 . 1 1 448 448 LEU N N 15 121.733 0.1 . 1 . . . . 448 LEU N . 11074 1 103 . 1 1 450 450 GLU H H 1 8.764 0.02 . 1 . . . . 450 GLU H . 11074 1 104 . 1 1 450 450 GLU N N 15 120.894 0.1 . 1 . . . . 450 GLU N . 11074 1 105 . 1 1 451 451 ASP H H 1 8.626 0.02 . 1 . . . . 451 ASP H . 11074 1 106 . 1 1 451 451 ASP N N 15 114.766 0.1 . 1 . . . . 451 ASP N . 11074 1 107 . 1 1 452 452 ALA H H 1 7.694 0.02 . 1 . . . . 452 ALA H . 11074 1 108 . 1 1 452 452 ALA N N 15 119.989 0.1 . 1 . . . . 452 ALA N . 11074 1 109 . 1 1 453 453 PHE H H 1 7.497 0.02 . 1 . . . . 453 PHE H . 11074 1 110 . 1 1 453 453 PHE N N 15 109.022 0.1 . 1 . . . . 453 PHE N . 11074 1 111 . 1 1 454 454 ARG H H 1 6.855 0.02 . 1 . . . . 454 ARG H . 11074 1 112 . 1 1 454 454 ARG N N 15 116.136 0.1 . 1 . . . . 454 ARG N . 11074 1 113 . 1 1 455 455 LEU H H 1 8.380 0.02 . 1 . . . . 455 LEU H . 11074 1 114 . 1 1 455 455 LEU N N 15 119.431 0.1 . 1 . . . . 455 LEU N . 11074 1 115 . 1 1 456 456 VAL H H 1 9.018 0.02 . 1 . . . . 456 VAL H . 11074 1 116 . 1 1 456 456 VAL N N 15 113.951 0.1 . 1 . . . . 456 VAL N . 11074 1 117 . 1 1 457 457 GLY H H 1 8.260 0.02 . 1 . . . . 457 GLY H . 11074 1 118 . 1 1 457 457 GLY N N 15 108.994 0.1 . 1 . . . . 457 GLY N . 11074 1 119 . 1 1 458 458 ARG H H 1 8.003 0.02 . 1 . . . . 458 ARG H . 11074 1 120 . 1 1 458 458 ARG N N 15 124.424 0.1 . 1 . . . . 458 ARG N . 11074 1 121 . 1 1 460 460 GLU H H 1 9.049 0.02 . 1 . . . . 460 GLU H . 11074 1 122 . 1 1 460 460 GLU N N 15 121.767 0.1 . 1 . . . . 460 GLU N . 11074 1 123 . 1 1 461 461 GLU H H 1 7.936 0.02 . 1 . . . . 461 GLU H . 11074 1 124 . 1 1 461 461 GLU N N 15 117.645 0.1 . 1 . . . . 461 GLU N . 11074 1 125 . 1 1 462 462 VAL H H 1 7.459 0.02 . 1 . . . . 462 VAL H . 11074 1 126 . 1 1 462 462 VAL N N 15 122.007 0.1 . 1 . . . . 462 VAL N . 11074 1 127 . 1 1 463 463 VAL H H 1 6.438 0.02 . 1 . . . . 463 VAL H . 11074 1 128 . 1 1 463 463 VAL N N 15 118.351 0.1 . 1 . . . . 463 VAL N . 11074 1 129 . 1 1 464 464 GLU H H 1 7.393 0.02 . 1 . . . . 464 GLU H . 11074 1 130 . 1 1 464 464 GLU N N 15 116.879 0.1 . 1 . . . . 464 GLU N . 11074 1 131 . 1 1 465 465 LYS H H 1 7.977 0.02 . 1 . . . . 465 LYS H . 11074 1 132 . 1 1 465 465 LYS N N 15 122.148 0.1 . 1 . . . . 465 LYS N . 11074 1 133 . 1 1 466 466 ALA H H 1 8.381 0.02 . 1 . . . . 466 ALA H . 11074 1 134 . 1 1 466 466 ALA N N 15 120.443 0.1 . 1 . . . . 466 ALA N . 11074 1 135 . 1 1 467 467 LYS H H 1 8.006 0.02 . 1 . . . . 467 LYS H . 11074 1 136 . 1 1 467 467 LYS N N 15 119.009 0.1 . 1 . . . . 467 LYS N . 11074 1 137 . 1 1 468 468 ALA H H 1 7.735 0.02 . 1 . . . . 468 ALA H . 11074 1 138 . 1 1 468 468 ALA N N 15 122.675 0.1 . 1 . . . . 468 ALA N . 11074 1 139 . 1 1 469 469 MET H H 1 7.696 0.02 . 1 . . . . 469 MET H . 11074 1 140 . 1 1 469 469 MET N N 15 116.388 0.1 . 1 . . . . 469 MET N . 11074 1 141 . 1 1 470 470 GLY H H 1 7.875 0.02 . 1 . . . . 470 GLY H . 11074 1 142 . 1 1 470 470 GLY N N 15 106.851 0.1 . 1 . . . . 470 GLY N . 11074 1 143 . 1 1 471 471 VAL H H 1 7.601 0.02 . 1 . . . . 471 VAL H . 11074 1 144 . 1 1 471 471 VAL N N 15 119.707 0.1 . 1 . . . . 471 VAL N . 11074 1 145 . 1 1 472 472 GLU H H 1 8.347 0.02 . 1 . . . . 472 GLU H . 11074 1 146 . 1 1 472 472 GLU N N 15 126.145 0.1 . 1 . . . . 472 GLU N . 11074 1 147 . 1 1 473 473 VAL H H 1 7.577 0.02 . 1 . . . . 473 VAL H . 11074 1 148 . 1 1 473 473 VAL N N 15 126.172 0.1 . 1 . . . . 473 VAL N . 11074 1 stop_ save_