################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51769 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name UBQLN1_514-589_4547Y_50uM _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 HSQC' . . . 51769 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 51769 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 THR H H 1 8.223 0.01 . 1 . . . . . 514 THR HN . 51769 1 2 . 1 . 1 1 1 THR N N 15 115.72 0.2 . 1 . . . . . 514 THR N . 51769 1 3 . 1 . 1 2 2 ALA H H 1 8.259 0.01 . 1 . . . . . 515 ALA HN . 51769 1 4 . 1 . 1 2 2 ALA N N 15 126.398 0.2 . 1 . . . . . 515 ALA N . 51769 1 5 . 1 . 1 3 3 GLY H H 1 8.37 0.01 . 1 . . . . . 516 GLY HN . 51769 1 6 . 1 . 1 3 3 GLY N N 15 108.24 0.2 . 1 . . . . . 516 GLY N . 51769 1 7 . 1 . 1 4 4 THR H H 1 8.021 0.01 . 1 . . . . . 517 THR HN . 51769 1 8 . 1 . 1 4 4 THR N N 15 113.304 0.2 . 1 . . . . . 517 THR N . 51769 1 9 . 1 . 1 5 5 THR H H 1 8.186 0.01 . 1 . . . . . 518 THR HN . 51769 1 10 . 1 . 1 5 5 THR N N 15 116.117 0.2 . 1 . . . . . 518 THR N . 51769 1 11 . 1 . 1 6 6 GLU H H 1 8.418 0.01 . 1 . . . . . 519 GLU HN . 51769 1 12 . 1 . 1 6 6 GLU N N 15 125.09 0.2 . 1 . . . . . 519 GLU N . 51769 1 13 . 1 . 1 8 8 GLY H H 1 8.52 0.01 . 1 . . . . . 521 GLY HN . 51769 1 14 . 1 . 1 8 8 GLY N N 15 108.704 0.2 . 1 . . . . . 521 GLY N . 51769 1 15 . 1 . 1 9 9 HIS H H 1 8.173 0.01 . 1 . . . . . 522 HIS HN . 51769 1 16 . 1 . 1 9 9 HIS N N 15 119.47 0.2 . 1 . . . . . 522 HIS N . 51769 1 17 . 1 . 1 10 10 GLN H H 1 8.409 0.01 . 1 . . . . . 523 GLN HN . 51769 1 18 . 1 . 1 10 10 GLN N N 15 120.969 0.2 . 1 . . . . . 523 GLN N . 51769 1 19 . 1 . 1 11 11 GLN H H 1 8.409 0.01 . 1 . . . . . 524 GLN HN . 51769 1 20 . 1 . 1 11 11 GLN N N 15 120.762 0.2 . 1 . . . . . 524 GLN N . 51769 1 21 . 1 . 1 12 12 PHE H H 1 8.134 0.01 . 1 . . . . . 525 PHE HN . 51769 1 22 . 1 . 1 12 12 PHE N N 15 120.938 0.2 . 1 . . . . . 525 PHE N . 51769 1 23 . 1 . 1 13 13 ILE H H 1 7.976 0.01 . 1 . . . . . 526 ILE HN . 51769 1 24 . 1 . 1 13 13 ILE N N 15 121.521 0.2 . 1 . . . . . 526 ILE N . 51769 1 25 . 1 . 1 14 14 GLN H H 1 8.213 0.01 . 1 . . . . . 527 GLN HN . 51769 1 26 . 1 . 1 14 14 GLN N N 15 121.737 0.2 . 1 . . . . . 527 GLN N . 51769 1 27 . 1 . 1 15 15 GLN H H 1 8.264 0.01 . 1 . . . . . 528 GLN HN . 51769 1 28 . 1 . 1 15 15 GLN N N 15 120.497 0.2 . 1 . . . . . 528 GLN N . 51769 1 29 . 1 . 1 16 16 MET H H 1 8.169 0.01 . 1 . . . . . 529 MET HN . 51769 1 30 . 1 . 1 16 16 MET N N 15 120.834 0.2 . 1 . . . . . 529 MET N . 51769 1 31 . 1 . 1 17 17 LEU H H 1 8.18 0.01 . 1 . . . . . 530 LEU HN . 51769 1 32 . 1 . 1 17 17 LEU N N 15 121.427 0.2 . 1 . . . . . 530 LEU N . 51769 1 33 . 1 . 1 18 18 GLN H H 1 8.15 0.01 . 1 . . . . . 531 GLN HN . 51769 1 34 . 1 . 1 18 18 GLN N N 15 119.992 0.2 . 1 . . . . . 531 GLN N . 51769 1 35 . 1 . 1 19 19 ALA H H 1 8.03 0.01 . 1 . . . . . 532 ALA HN . 51769 1 36 . 1 . 1 19 19 ALA N N 15 123.525 0.2 . 1 . . . . . 532 ALA N . 51769 1 37 . 1 . 1 20 20 LEU H H 1 7.987 0.01 . 1 . . . . . 533 LEU HN . 51769 1 38 . 1 . 1 20 20 LEU N N 15 120.19 0.2 . 1 . . . . . 533 LEU N . 51769 1 39 . 1 . 1 21 21 ALA H H 1 7.964 0.01 . 1 . . . . . 534 ALA HN . 51769 1 40 . 1 . 1 21 21 ALA N N 15 123.13 0.2 . 1 . . . . . 534 ALA N . 51769 1 41 . 1 . 1 22 22 GLY H H 1 8.18 0.01 . 1 . . . . . 535 GLY HN . 51769 1 42 . 1 . 1 22 22 GLY N N 15 107.298 0.2 . 1 . . . . . 535 GLY N . 51769 1 43 . 1 . 1 23 23 VAL H H 1 7.795 0.01 . 1 . . . . . 536 VAL HN . 51769 1 44 . 1 . 1 23 23 VAL N N 15 118.765 0.2 . 1 . . . . . 536 VAL N . 51769 1 45 . 1 . 1 24 24 ASN H H 1 8.493 0.01 . 1 . . . . . 537 ASN HN . 51769 1 46 . 1 . 1 24 24 ASN N N 15 123.247 0.2 . 1 . . . . . 537 ASN N . 51769 1 47 . 1 . 1 26 26 GLN H H 1 8.301 0.01 . 1 . . . . . 539 GLN HN . 51769 1 48 . 1 . 1 26 26 GLN N N 15 118.094 0.2 . 1 . . . . . 539 GLN N . 51769 1 49 . 1 . 1 27 27 LEU H H 1 7.842 0.01 . 1 . . . . . 540 LEU HN . 51769 1 50 . 1 . 1 27 27 LEU N N 15 120.596 0.2 . 1 . . . . . 540 LEU N . 51769 1 51 . 1 . 1 28 28 GLN H H 1 7.972 0.01 . 1 . . . . . 541 GLN HN . 51769 1 52 . 1 . 1 28 28 GLN N N 15 119.303 0.2 . 1 . . . . . 541 GLN N . 51769 1 53 . 1 . 1 29 29 ASN H H 1 8.401 0.01 . 1 . . . . . 542 ASN HN . 51769 1 54 . 1 . 1 29 29 ASN N N 15 120.542 0.2 . 1 . . . . . 542 ASN N . 51769 1 55 . 1 . 1 31 31 GLU H H 1 8.742 0.01 . 1 . . . . . 544 GLU HN . 51769 1 56 . 1 . 1 31 31 GLU N N 15 116.577 0.2 . 1 . . . . . 544 GLU N . 51769 1 57 . 1 . 1 32 32 VAL H H 1 7.244 0.01 . 1 . . . . . 545 VAL HN . 51769 1 58 . 1 . 1 32 32 VAL N N 15 118.003 0.2 . 1 . . . . . 545 VAL N . 51769 1 59 . 1 . 1 33 33 ARG H H 1 7.985 0.01 . 1 . . . . . 546 ARG HN . 51769 1 60 . 1 . 1 33 33 ARG N N 15 121.399 0.2 . 1 . . . . . 546 ARG N . 51769 1 61 . 1 . 1 34 34 TYR H H 1 7.941 0.01 . 1 . . . . . 547 TYR HN . 51769 1 62 . 1 . 1 34 34 TYR N N 15 114.057 0.2 . 1 . . . . . 547 TYR N . 51769 1 63 . 1 . 1 35 35 GLN H H 1 7.174 0.01 . 1 . . . . . 548 GLN HN . 51769 1 64 . 1 . 1 35 35 GLN N N 15 120.422 0.2 . 1 . . . . . 548 GLN N . 51769 1 65 . 1 . 1 36 36 GLN H H 1 8.978 0.01 . 1 . . . . . 549 GLN HN . 51769 1 66 . 1 . 1 36 36 GLN N N 15 118.381 0.2 . 1 . . . . . 549 GLN N . 51769 1 67 . 1 . 1 37 37 GLN H H 1 9.15 0.01 . 1 . . . . . 550 GLN HN . 51769 1 68 . 1 . 1 37 37 GLN N N 15 121.09 0.2 . 1 . . . . . 550 GLN N . 51769 1 69 . 1 . 1 38 38 LEU H H 1 8.693 0.01 . 1 . . . . . 551 LEU HN . 51769 1 70 . 1 . 1 38 38 LEU N N 15 119.867 0.2 . 1 . . . . . 551 LEU N . 51769 1 71 . 1 . 1 39 39 GLU H H 1 7.92 0.01 . 1 . . . . . 552 GLU HN . 51769 1 72 . 1 . 1 39 39 GLU N N 15 120.787 0.2 . 1 . . . . . 552 GLU N . 51769 1 73 . 1 . 1 40 40 GLN H H 1 8.178 0.01 . 1 . . . . . 553 GLN HN . 51769 1 74 . 1 . 1 40 40 GLN N N 15 121.257 0.2 . 1 . . . . . 553 GLN N . 51769 1 75 . 1 . 1 41 41 LEU H H 1 8.519 0.01 . 1 . . . . . 554 LEU HN . 51769 1 76 . 1 . 1 41 41 LEU N N 15 118.778 0.2 . 1 . . . . . 554 LEU N . 51769 1 77 . 1 . 1 42 42 SER H H 1 7.861 0.01 . 1 . . . . . 555 SER HN . 51769 1 78 . 1 . 1 42 42 SER N N 15 114.828 0.2 . 1 . . . . . 555 SER N . 51769 1 79 . 1 . 1 43 43 ALA H H 1 7.932 0.01 . 1 . . . . . 556 ALA HN . 51769 1 80 . 1 . 1 43 43 ALA N N 15 124.798 0.2 . 1 . . . . . 556 ALA N . 51769 1 81 . 1 . 1 44 44 MET H H 1 7.675 0.01 . 1 . . . . . 557 MET HN . 51769 1 82 . 1 . 1 44 44 MET N N 15 115.609 0.2 . 1 . . . . . 557 MET N . 51769 1 83 . 1 . 1 45 45 GLY H H 1 7.794 0.01 . 1 . . . . . 558 GLY HN . 51769 1 84 . 1 . 1 45 45 GLY N N 15 105.745 0.2 . 1 . . . . . 558 GLY N . 51769 1 85 . 1 . 1 46 46 PHE H H 1 7.849 0.01 . 1 . . . . . 559 PHE HN . 51769 1 86 . 1 . 1 46 46 PHE N N 15 121.938 0.2 . 1 . . . . . 559 PHE N . 51769 1 87 . 1 . 1 47 47 LEU H H 1 8.195 0.01 . 1 . . . . . 560 LEU HN . 51769 1 88 . 1 . 1 47 47 LEU N N 15 122.716 0.2 . 1 . . . . . 560 LEU N . 51769 1 89 . 1 . 1 48 48 ASN H H 1 9.073 0.01 . 1 . . . . . 561 ASN HN . 51769 1 90 . 1 . 1 48 48 ASN N N 15 120.94 0.2 . 1 . . . . . 561 ASN N . 51769 1 91 . 1 . 1 49 49 ARG H H 1 8.277 0.01 . 1 . . . . . 562 ARG HN . 51769 1 92 . 1 . 1 49 49 ARG N N 15 126.52 0.2 . 1 . . . . . 562 ARG N . 51769 1 93 . 1 . 1 50 50 GLU H H 1 8.213 0.01 . 1 . . . . . 563 GLU HN . 51769 1 94 . 1 . 1 50 50 GLU N N 15 117.793 0.2 . 1 . . . . . 563 GLU N . 51769 1 95 . 1 . 1 51 51 ALA H H 1 7.534 0.01 . 1 . . . . . 564 ALA HN . 51769 1 96 . 1 . 1 51 51 ALA N N 15 123.12 0.2 . 1 . . . . . 564 ALA N . 51769 1 97 . 1 . 1 52 52 ASN H H 1 8.583 0.01 . 1 . . . . . 565 ASN HN . 51769 1 98 . 1 . 1 52 52 ASN N N 15 120.636 0.2 . 1 . . . . . 565 ASN N . 51769 1 99 . 1 . 1 53 53 LEU H H 1 8.369 0.01 . 1 . . . . . 566 LEU HN . 51769 1 100 . 1 . 1 53 53 LEU N N 15 120.364 0.2 . 1 . . . . . 566 LEU N . 51769 1 101 . 1 . 1 54 54 GLN H H 1 7.926 0.01 . 1 . . . . . 567 GLN HN . 51769 1 102 . 1 . 1 54 54 GLN N N 15 116.371 0.2 . 1 . . . . . 567 GLN N . 51769 1 103 . 1 . 1 55 55 ALA H H 1 8.065 0.01 . 1 . . . . . 568 ALA HN . 51769 1 104 . 1 . 1 55 55 ALA N N 15 121.925 0.2 . 1 . . . . . 568 ALA N . 51769 1 105 . 1 . 1 56 56 LEU H H 1 8.001 0.01 . 1 . . . . . 569 LEU HN . 51769 1 106 . 1 . 1 56 56 LEU N N 15 117.922 0.2 . 1 . . . . . 569 LEU N . 51769 1 107 . 1 . 1 57 57 ILE H H 1 8.634 0.01 . 1 . . . . . 570 ILE HN . 51769 1 108 . 1 . 1 57 57 ILE N N 15 120.175 0.2 . 1 . . . . . 570 ILE N . 51769 1 109 . 1 . 1 58 58 ALA H H 1 7.746 0.01 . 1 . . . . . 571 ALA HN . 51769 1 110 . 1 . 1 58 58 ALA N N 15 121.088 0.2 . 1 . . . . . 571 ALA N . 51769 1 111 . 1 . 1 59 59 THR H H 1 7.648 0.01 . 1 . . . . . 572 THR HN . 51769 1 112 . 1 . 1 59 59 THR N N 15 105.202 0.2 . 1 . . . . . 572 THR N . 51769 1 113 . 1 . 1 60 60 GLY H H 1 7.639 0.01 . 1 . . . . . 573 GLY HN . 51769 1 114 . 1 . 1 60 60 GLY N N 15 112.447 0.2 . 1 . . . . . 573 GLY N . 51769 1 115 . 1 . 1 61 61 GLY H H 1 8.813 0.01 . 1 . . . . . 574 GLY HN . 51769 1 116 . 1 . 1 61 61 GLY N N 15 105.43 0.2 . 1 . . . . . 574 GLY N . 51769 1 117 . 1 . 1 62 62 ASP H H 1 6.856 0.01 . 1 . . . . . 575 ASP HN . 51769 1 118 . 1 . 1 62 62 ASP N N 15 120.057 0.2 . 1 . . . . . 575 ASP N . 51769 1 119 . 1 . 1 63 63 ILE H H 1 8.753 0.01 . 1 . . . . . 576 ILE HN . 51769 1 120 . 1 . 1 63 63 ILE N N 15 129.51 0.2 . 1 . . . . . 576 ILE N . 51769 1 121 . 1 . 1 64 64 ASN H H 1 7.912 0.01 . 1 . . . . . 577 ASN HN . 51769 1 122 . 1 . 1 64 64 ASN N N 15 120.049 0.2 . 1 . . . . . 577 ASN N . 51769 1 123 . 1 . 1 65 65 ALA H H 1 8.064 0.01 . 1 . . . . . 578 ALA HN . 51769 1 124 . 1 . 1 65 65 ALA N N 15 123.252 0.2 . 1 . . . . . 578 ALA N . 51769 1 125 . 1 . 1 66 66 ALA H H 1 8.337 0.01 . 1 . . . . . 579 ALA HN . 51769 1 126 . 1 . 1 66 66 ALA N N 15 123.149 0.2 . 1 . . . . . 579 ALA N . 51769 1 127 . 1 . 1 67 67 ILE H H 1 8.223 0.01 . 1 . . . . . 580 ILE HN . 51769 1 128 . 1 . 1 67 67 ILE N N 15 119.08 0.2 . 1 . . . . . 580 ILE N . 51769 1 129 . 1 . 1 68 68 GLU H H 1 7.229 0.01 . 1 . . . . . 581 GLU HN . 51769 1 130 . 1 . 1 68 68 GLU N N 15 116.817 0.2 . 1 . . . . . 581 GLU N . 51769 1 131 . 1 . 1 69 69 ARG H H 1 7.487 0.01 . 1 . . . . . 582 ARG HN . 51769 1 132 . 1 . 1 69 69 ARG N N 15 117.912 0.2 . 1 . . . . . 582 ARG N . 51769 1 133 . 1 . 1 70 70 LEU H H 1 8.323 0.01 . 1 . . . . . 583 LEU HN . 51769 1 134 . 1 . 1 70 70 LEU N N 15 122.245 0.2 . 1 . . . . . 583 LEU N . 51769 1 135 . 1 . 1 71 71 LEU H H 1 8.335 0.01 . 1 . . . . . 584 LEU HN . 51769 1 136 . 1 . 1 71 71 LEU N N 15 118.889 0.2 . 1 . . . . . 584 LEU N . 51769 1 137 . 1 . 1 72 72 GLY H H 1 7.749 0.01 . 1 . . . . . 585 GLY HN . 51769 1 138 . 1 . 1 72 72 GLY N N 15 106.826 0.2 . 1 . . . . . 585 GLY N . 51769 1 139 . 1 . 1 73 73 SER H H 1 7.915 0.01 . 1 . . . . . 586 SER HN . 51769 1 140 . 1 . 1 73 73 SER N N 15 114.734 0.2 . 1 . . . . . 586 SER N . 51769 1 141 . 1 . 1 74 74 GLN H H 1 8.237 0.01 . 1 . . . . . 587 GLN HN . 51769 1 142 . 1 . 1 74 74 GLN N N 15 122.838 0.2 . 1 . . . . . 587 GLN N . 51769 1 stop_ save_