################################### # 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 53256 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PeaklisteGab1CSH2 _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 TROSY' . . . 53256 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 1 $software_1 . . 53256 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 SER H H 1 8.3862 0.05201 . 1 . . . . . 613 SER H . 53256 1 2 . 1 . 1 1 1 SER N N 15 118.879 0.26714 . 1 . . . . . 613 SER N . 53256 1 3 . 1 . 1 2 2 SER H H 1 8.07595 0.09847 . 1 . . . . . 614 SER H . 53256 1 4 . 1 . 1 2 2 SER N N 15 119.099 0.69928 . 1 . . . . . 614 SER N . 53256 1 5 . 1 . 1 4 4 MET H H 1 8.40678 0.0639 . 1 . . . . . 616 MET H . 53256 1 6 . 1 . 1 4 4 MET N N 15 122.514 0.33443 . 1 . . . . . 616 MET N . 53256 1 7 . 1 . 1 5 5 ILE H H 1 8.15159 0.0655 . 1 . . . . . 617 ILE H . 53256 1 8 . 1 . 1 5 5 ILE N N 15 124.053 0.22721 . 1 . . . . . 617 ILE N . 53256 1 9 . 1 . 1 6 6 LYS H H 1 8.34457 0.10354 . 1 . . . . . 618 LYS H . 53256 1 10 . 1 . 1 6 6 LYS N N 15 128.071 0.58124 . 1 . . . . . 618 LYS N . 53256 1 11 . 1 . 1 8 8 LYS H H 1 8.43733 0.0502 . 1 . . . . . 620 LYS H . 53256 1 12 . 1 . 1 8 8 LYS N N 15 124.13747 0.22141 . 1 . . . . . 620 LYS N . 53256 1 13 . 1 . 1 9 9 GLY H H 1 8.35639 0.08218 . 1 . . . . . 621 GLY H . 53256 1 14 . 1 . 1 9 9 GLY N N 15 110.76048 0.60076 . 1 . . . . . 621 GLY N . 53256 1 15 . 1 . 1 10 10 ASP H H 1 8.19853 0.08648 . 1 . . . . . 622 ASP H . 53256 1 16 . 1 . 1 10 10 ASP N N 15 121.20372 0.37353 . 1 . . . . . 622 ASP N . 53256 1 17 . 1 . 1 11 11 LYS H H 1 8.17038 0.0561 . 1 . . . . . 623 LYS H . 53256 1 18 . 1 . 1 11 11 LYS N N 15 121.69723 0.30038 . 1 . . . . . 623 LYS N . 53256 1 19 . 1 . 1 13 13 VAL H H 1 8.0232 0.05977 . 1 . . . . . 625 VAL H . 53256 1 20 . 1 . 1 13 13 VAL N N 15 121.28 0.4307 . 1 . . . . . 625 VAL N . 53256 1 21 . 1 . 1 14 14 GLU H H 1 8.2989 0.07343 . 1 . . . . . 626 GLU H . 53256 1 22 . 1 . 1 14 14 GLU N N 15 124.02 0.421 . 1 . . . . . 626 GLU N . 53256 1 23 . 1 . 1 17 17 ASP H H 1 8.29 0.06537 . 1 . . . . . 629 ASP H . 53256 1 24 . 1 . 1 17 17 ASP N N 15 122.03 0.2823 . 1 . . . . . 629 ASP N . 53256 1 25 . 1 . 1 19 19 ASP H H 1 8.31363 0.06232 . 1 . . . . . 631 ASP H . 53256 1 26 . 1 . 1 19 19 ASP N N 15 121.53748 0.36094 . 1 . . . . . 631 ASP N . 53256 1 27 . 1 . 1 20 20 LEU H H 1 8.06096 0.04613 . 1 . . . . . 632 LEU H . 53256 1 28 . 1 . 1 20 20 LEU N N 15 123.3037 0.36094 . 1 . . . . . 632 LEU N . 53256 1 29 . 1 . 1 21 21 ASP H H 1 8.29582 0.05431 . 1 . . . . . 633 ASP H . 53256 1 30 . 1 . 1 21 21 ASP N N 15 121.01024 0.36094 . 1 . . . . . 633 ASP N . 53256 1 31 . 1 . 1 22 22 SER H H 1 8.14686 0.08164 . 1 . . . . . 634 SER H . 53256 1 32 . 1 . 1 22 22 SER N N 15 117.08653 0.3726 . 1 . . . . . 634 SER N . 53256 1 33 . 1 . 1 23 23 GLY H H 1 8.43697 0.07935 . 1 . . . . . 635 GLY H . 53256 1 34 . 1 . 1 23 23 GLY N N 15 111.36873 0.41041 . 1 . . . . . 635 GLY N . 53256 1 35 . 1 . 1 24 24 LYS H H 1 7.90405 0.09406 . 1 . . . . . 636 LYS H . 53256 1 36 . 1 . 1 24 24 LYS N N 15 120.82054 0.63832 . 1 . . . . . 636 LYS N . 53256 1 37 . 1 . 1 41 41 ALA H H 1 8.24427 0.08092 . 1 . . . . . 653 ALA H . 53256 1 38 . 1 . 1 41 41 ALA N N 15 127.73632 0.85394 . 1 . . . . . 653 ALA N . 53256 1 39 . 1 . 1 42 42 ASP H H 1 8.12749 0.08346 . 1 . . . . . 654 ASP H . 53256 1 40 . 1 . 1 42 42 ASP N N 15 120.19991 0.92758 . 1 . . . . . 654 ASP N . 53256 1 41 . 1 . 1 43 43 GLU H H 1 8.13328 0.06022 . 1 . . . . . 655 GLU H . 53256 1 42 . 1 . 1 43 43 GLU N N 15 121.49083 0.42916 . 1 . . . . . 655 GLU N . 53256 1 43 . 1 . 1 44 44 ARG H H 1 7.97781 0.0861 . 1 . . . . . 656 ARG H . 53256 1 44 . 1 . 1 44 44 ARG N N 15 122.61232 0.42095 . 1 . . . . . 656 ARG N . 53256 1 45 . 1 . 1 46 46 ASP H H 1 8.31473 0.10701 . 1 . . . . . 658 ASP H . 53256 1 46 . 1 . 1 46 46 ASP N N 15 121.26273 0.25781 . 1 . . . . . 658 ASP N . 53256 1 47 . 1 . 1 49 49 VAL H H 1 8.8617 0.0739 . 1 . . . . . 661 VAL H . 53256 1 48 . 1 . 1 49 49 VAL N N 15 121.76779 0.33592 . 1 . . . . . 661 VAL N . 53256 1 49 . 1 . 1 50 50 VAL H H 1 8.74732 0.06481 . 1 . . . . . 662 VAL H . 53256 1 50 . 1 . 1 50 50 VAL N N 15 128.22635 0.30866 . 1 . . . . . 662 VAL N . 53256 1 51 . 1 . 1 51 51 ASP H H 1 9.24436 0.07195 . 1 . . . . . 663 ASP H . 53256 1 52 . 1 . 1 51 51 ASP N N 15 128.61105 0.30867 . 1 . . . . . 663 ASP N . 53256 1 53 . 1 . 1 52 52 GLN H H 1 9.16716 0.05097 . 1 . . . . . 664 GLN H . 53256 1 54 . 1 . 1 52 52 GLN N N 15 130.84868 0.2913 . 1 . . . . . 664 GLN N . 53256 1 55 . 1 . 1 53 53 GLN H H 1 8.39681 0.07178 . 1 . . . . . 665 GLN H . 53256 1 56 . 1 . 1 53 53 GLN N N 15 119.63734 0.27037 . 1 . . . . . 665 GLN N . 53256 1 57 . 1 . 1 55 55 THR H H 1 8.00206 0.04348 . 1 . . . . . 667 THR H . 53256 1 58 . 1 . 1 55 55 THR N N 15 116.591 0.18523 . 1 . . . . . 667 THR N . 53256 1 59 . 1 . 1 57 57 ALA H H 1 7.87119 0.05897 . 1 . . . . . 669 ALA H . 53256 1 60 . 1 . 1 57 57 ALA N N 15 122.08228 0.29806 . 1 . . . . . 669 ALA N . 53256 1 61 . 1 . 1 58 58 LEU H H 1 7.41226 0.0451 . 1 . . . . . 670 LEU H . 53256 1 62 . 1 . 1 58 58 LEU N N 15 119.33549 0.19878 . 1 . . . . . 670 LEU N . 53256 1 63 . 1 . 1 59 59 LYS H H 1 7.41696 0.05986 . 1 . . . . . 671 LYS H . 53256 1 64 . 1 . 1 59 59 LYS N N 15 120.73354 0.231 . 1 . . . . . 671 LYS N . 53256 1 65 . 1 . 1 61 61 THR H H 1 8.01274 0.0675 . 1 . . . . . 673 THR H . 53256 1 66 . 1 . 1 61 61 THR N N 15 116.44112 0.23735 . 1 . . . . . 673 THR N . 53256 1 67 . 1 . 1 64 64 ALA H H 1 8.01319 0.07846 . 1 . . . . . 676 ALA H . 53256 1 68 . 1 . 1 64 64 ALA N N 15 124.32674 0.377 . 1 . . . . . 676 ALA N . 53256 1 69 . 1 . 1 65 65 TRP H H 1 7.97903 0.09788 . 1 . . . . . 677 TRP H . 53256 1 70 . 1 . 1 65 65 TRP N N 15 120.77016 0.25781 . 1 . . . . . 677 TRP N . 53256 1 71 . 1 . 1 66 66 THR H H 1 7.81065 0.07827 . 1 . . . . . 678 THR H . 53256 1 72 . 1 . 1 66 66 THR N N 15 116.23167 0.39375 . 1 . . . . . 678 THR N . 53256 1 73 . 1 . 1 67 67 ASP H H 1 8.09904 0.11138 . 1 . . . . . 679 ASP H . 53256 1 74 . 1 . 1 67 67 ASP N N 15 122.82036 0.31496 . 1 . . . . . 679 ASP N . 53256 1 75 . 1 . 1 68 68 GLY H H 1 8.24386 0.08226 . 1 . . . . . 680 GLY H . 53256 1 76 . 1 . 1 68 68 GLY N N 15 109.81575 0.41692 . 1 . . . . . 680 GLY N . 53256 1 77 . 1 . 1 69 69 ARG H H 1 7.97832 0.0616 . 1 . . . . . 681 ARG H . 53256 1 78 . 1 . 1 69 69 ARG N N 15 120.98112 0.25781 . 1 . . . . . 681 ARG N . 53256 1 79 . 1 . 1 70 70 GLN H H 1 8.39344 0.09598 . 1 . . . . . 682 GLN H . 53256 1 80 . 1 . 1 70 70 GLN N N 15 121.98846 0.24115 . 1 . . . . . 682 GLN N . 53256 1 81 . 1 . 1 71 71 SER H H 1 8.32877 0.07299 . 1 . . . . . 683 SER H . 53256 1 82 . 1 . 1 71 71 SER N N 15 117.97871 0.50453 . 1 . . . . . 683 SER N . 53256 1 83 . 1 . 1 72 72 THR H H 1 8.1808 0.10772 . 1 . . . . . 684 THR H . 53256 1 84 . 1 . 1 72 72 THR N N 15 116.21744 0.41556 . 1 . . . . . 684 THR N . 53256 1 85 . 1 . 1 73 73 GLU H H 1 8.35678 0.06274 . 1 . . . . . 685 GLU H . 53256 1 86 . 1 . 1 73 73 GLU N N 15 123.58803 0.36456 . 1 . . . . . 685 GLU N . 53256 1 87 . 1 . 1 74 74 SER H H 1 8.23014 0.08178 . 1 . . . . . 686 SER H . 53256 1 88 . 1 . 1 74 74 SER N N 15 117.10908 0.66557 . 1 . . . . . 686 SER N . 53256 1 89 . 1 . 1 75 75 GLU H H 1 8.31663 0.07094 . 1 . . . . . 687 GLU H . 53256 1 90 . 1 . 1 75 75 GLU N N 15 123.42133 0.40911 . 1 . . . . . 687 GLU N . 53256 1 91 . 1 . 1 76 76 THR H H 1 8.20602 0.08073 . 1 . . . . . 688 THR H . 53256 1 92 . 1 . 1 76 76 THR N N 15 118.77209 0.42905 . 1 . . . . . 688 THR N . 53256 1 93 . 1 . 1 78 78 ALA H H 1 8.32086 0.07611 . 1 . . . . . 690 ALA H . 53256 1 94 . 1 . 1 78 78 ALA N N 15 125.12867 0.6062 . 1 . . . . . 690 ALA N . 53256 1 95 . 1 . 1 79 79 LYS H H 1 8.44148 0.06969 . 1 . . . . . 691 LYS H . 53256 1 96 . 1 . 1 79 79 LYS N N 15 122.23446 0.23791 . 1 . . . . . 691 LYS N . 53256 1 97 . 1 . 1 80 80 SER H H 1 8.25171 0.09788 . 1 . . . . . 692 SER H . 53256 1 98 . 1 . 1 80 80 SER N N 15 118.06796 0.37071 . 1 . . . . . 692 SER N . 53256 1 99 . 1 . 1 81 81 VAL H H 1 8.09269 0.0844 . 1 . . . . . 693 VAL H . 53256 1 100 . 1 . 1 81 81 VAL N N 15 122.23247 0.44245 . 1 . . . . . 693 VAL N . 53256 1 101 . 1 . 1 82 82 LYS H H 1 7.86688 0.07428 . 1 . . . . . 694 LYS H . 53256 1 102 . 1 . 1 82 82 LYS N N 15 130.32825 0.3665 . 1 . . . . . 694 LYS N . 53256 1 stop_ save_