################################### # 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 19534 _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 . _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 ; We determined the structure of a multi-domain protein-RNA complex, which is simultaneously present in two conformations in solution. While we observe only one set of resonances for the atoms located on the isolated/rigid domains, some resonances at the connections between the different domains are appearing as two separated peaks, each belonging to one of the two conformations simultaneously present in solution (conformations, which are in slow exchange in respect to the NMR chemical shift timescale). However, we are not able to assign those peaks to a specific conformation. Because of this ambiguity, we have assigned the same chemical shift list (BMRB entry 19534) to both conformations that have a separate pdb code (2mf0 for conformer L and 2mf1 for conformer R). ; _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' . . . 19534 1 2 '2D 1H-15N HSQC' . . . 19534 1 3 '2D 1H-15N HSQC' . . . 19534 1 4 '2D 1H-15N HSQC' . . . 19534 1 5 '2D 1H-15N HSQC' . . . 19534 1 6 '2D 1H-13C TROSY' . . . 19534 1 7 '2D 1H-13C TROSY' . . . 19534 1 8 '2D 1H-13C TROSY' . . . 19534 1 9 '2D 1H-13C TROSY' . . . 19534 1 10 '2D 1H-13C TROSY' . . . 19534 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 . 2 2 2 2 G H1 H 1 12.617 0.02 . 1 . . . G 2 G H1 . 19534 1 2 . 2 2 2 2 G H1' H 1 5.795 0.02 . 1 . . . G 2 G H1' . 19534 1 3 . 2 2 2 2 G C1' C 13 91.914 0.1 . 1 . . . G 2 G C1' . 19534 1 4 . 2 2 2 2 G N1 N 15 147.374 0.1 . 1 . . . G 2 G N1 . 19534 1 5 . 2 2 3 3 U H3 H 1 14.333 0.02 . 1 . . . G 3 U H3 . 19534 1 6 . 2 2 3 3 U H5 H 1 5.108 0.02 . 1 . . . G 3 U H5 . 19534 1 7 . 2 2 3 3 U C5 C 13 102.941 0.1 . 1 . . . G 3 U C5 . 19534 1 8 . 2 2 3 3 U N3 N 15 162.811 0.1 . 1 . . . G 3 U N3 . 19534 1 9 . 2 2 4 4 C H5 H 1 5.571 0.02 . 1 . . . G 4 C H5 . 19534 1 10 . 2 2 4 4 C C5 C 13 98.276 0.1 . 1 . . . G 4 C C5 . 19534 1 11 . 2 2 5 5 G H8 H 1 7.446 0.02 . 1 . . . G 5 G H8 . 19534 1 12 . 2 2 5 5 G C8 C 13 137.097 0.1 . 1 . . . G 5 G C8 . 19534 1 13 . 2 2 6 6 A H1' H 1 6.374 0.02 . 1 . . . G 6 A H1' . 19534 1 14 . 2 2 6 6 A H2 H 1 8.429 0.02 . 1 . . . G 6 A H2 . 19534 1 15 . 2 2 6 6 A H8 H 1 8.182 0.02 . 1 . . . G 6 A H8 . 19534 1 16 . 2 2 6 6 A C1' C 13 91.380 0.1 . 1 . . . G 6 A C1' . 19534 1 17 . 2 2 6 6 A C2 C 13 156.070 0.1 . 1 . . . G 6 A C2 . 19534 1 18 . 2 2 6 6 A C8 C 13 139.319 0.1 . 1 . . . G 6 A C8 . 19534 1 19 . 2 2 7 7 C H1' H 1 5.533 0.02 . 1 . . . G 7 C H1' . 19534 1 20 . 2 2 7 7 C H5 H 1 5.812 0.02 . 1 . . . G 7 C H5 . 19534 1 21 . 2 2 7 7 C H6 H 1 7.608 0.02 . 1 . . . G 7 C H6 . 19534 1 22 . 2 2 7 7 C C1' C 13 92.345 0.1 . 1 . . . G 7 C C1' . 19534 1 23 . 2 2 7 7 C C5 C 13 97.849 0.1 . 1 . . . G 7 C C5 . 19534 1 24 . 2 2 7 7 C C6 C 13 143.783 0.1 . 1 . . . G 7 C C6 . 19534 1 25 . 2 2 8 8 G H1' H 1 5.425 0.02 . 1 . . . G 8 G H1' . 19534 1 26 . 2 2 8 8 G H8 H 1 7.909 0.02 . 1 . . . G 8 G H8 . 19534 1 27 . 2 2 8 8 G C1' C 13 93.055 0.1 . 1 . . . G 8 G C1' . 19534 1 28 . 2 2 8 8 G C8 C 13 139.296 0.1 . 1 . . . G 8 G C8 . 19534 1 29 . 2 2 9 9 G H1 H 1 11.510 0.02 . 1 . . . G 9 G H1 . 19534 1 30 . 2 2 9 9 G H1' H 1 5.755 0.02 . 1 . . . G 9 G H1' . 19534 1 31 . 2 2 9 9 G H8 H 1 8.613 0.02 . 1 . . . G 9 G H8 . 19534 1 32 . 2 2 9 9 G C1' C 13 88.585 0.1 . 1 . . . G 9 G C1' . 19534 1 33 . 2 2 9 9 G C8 C 13 141.706 0.1 . 1 . . . G 9 G C8 . 19534 1 34 . 2 2 9 9 G N1 N 15 145.840 0.1 . 1 . . . G 9 G N1 . 19534 1 35 . 2 2 10 10 A H1' H 1 6.532 0.02 . 1 . . . G 10 A H1' . 19534 1 36 . 2 2 10 10 A H2 H 1 8.628 0.02 . 1 . . . G 10 A H2 . 19534 1 37 . 2 2 10 10 A H8 H 1 8.971 0.02 . 1 . . . G 10 A H8 . 19534 1 38 . 2 2 10 10 A C1' C 13 89.934 0.1 . 1 . . . G 10 A C1' . 19534 1 39 . 2 2 10 10 A C2 C 13 156.991 0.1 . 1 . . . G 10 A C2 . 19534 1 40 . 2 2 10 10 A C8 C 13 141.975 0.1 . 1 . . . G 10 A C8 . 19534 1 41 . 2 2 11 11 U H1' H 1 5.860 0.02 . 1 . . . G 11 U H1' . 19534 1 42 . 2 2 11 11 U H5 H 1 5.937 0.02 . 1 . . . G 11 U H5 . 19534 1 43 . 2 2 11 11 U H6 H 1 7.777 0.02 . 1 . . . G 11 U H6 . 19534 1 44 . 2 2 11 11 U C1' C 13 92.163 0.1 . 1 . . . G 11 U C1' . 19534 1 45 . 2 2 11 11 U C5 C 13 105.179 0.1 . 1 . . . G 11 U C5 . 19534 1 46 . 2 2 11 11 U C6 C 13 144.196 0.1 . 1 . . . G 11 U C6 . 19534 1 47 . 2 2 12 12 A H1' H 1 4.880 0.02 . 1 . . . G 12 A H1' . 19534 1 48 . 2 2 12 12 A H2 H 1 8.309 0.02 . 1 . . . G 12 A H2 . 19534 1 49 . 2 2 12 12 A H8 H 1 8.153 0.02 . 1 . . . G 12 A H8 . 19534 1 50 . 2 2 12 12 A C1' C 13 92.310 0.1 . 1 . . . G 12 A C1' . 19534 1 51 . 2 2 12 12 A C2 C 13 154.589 0.1 . 1 . . . G 12 A C2 . 19534 1 52 . 2 2 12 12 A C8 C 13 140.731 0.1 . 1 . . . G 12 A C8 . 19534 1 53 . 2 2 13 13 G H1 H 1 11.957 0.02 . 1 . . . G 13 G H1 . 19534 1 54 . 2 2 13 13 G H8 H 1 6.691 0.02 . 1 . . . G 13 G H8 . 19534 1 55 . 2 2 13 13 G C8 C 13 136.273 0.1 . 1 . . . G 13 G C8 . 19534 1 56 . 2 2 13 13 G N1 N 15 145.992 0.1 . 1 . . . G 13 G N1 . 19534 1 57 . 2 2 14 14 A H1' H 1 5.959 0.02 . 1 . . . G 14 A H1' . 19534 1 58 . 2 2 14 14 A H2 H 1 7.694 0.02 . 1 . . . G 14 A H2 . 19534 1 59 . 2 2 14 14 A H8 H 1 7.857 0.02 . 1 . . . G 14 A H8 . 19534 1 60 . 2 2 14 14 A C1' C 13 93.270 0.1 . 1 . . . G 14 A C1' . 19534 1 61 . 2 2 14 14 A C2 C 13 153.797 0.1 . 1 . . . G 14 A C2 . 19534 1 62 . 2 2 14 14 A C8 C 13 139.818 0.1 . 1 . . . G 14 A C8 . 19534 1 63 . 2 2 16 16 A H1' H 1 5.939 0.02 . 1 . . . G 16 A H1' . 19534 1 64 . 2 2 16 16 A H2 H 1 7.441 0.02 . 1 . . . G 16 A H2 . 19534 1 65 . 2 2 16 16 A C1' C 13 91.902 0.1 . 1 . . . G 16 A C1' . 19534 1 66 . 2 2 16 16 A C2 C 13 154.353 0.1 . 1 . . . G 16 A C2 . 19534 1 67 . 2 2 18 18 A H2 H 1 8.081 0.02 . 1 . . . G 18 A H2 . 19534 1 68 . 2 2 18 18 A C2 C 13 155.064 0.1 . 1 . . . G 18 A C2 . 19534 1 69 . 2 2 21 21 C H6 H 1 7.663 0.02 . 1 . . . G 21 C H6 . 19534 1 70 . 2 2 21 21 C C6 C 13 143.546 0.1 . 1 . . . G 21 C C6 . 19534 1 71 . 2 2 22 22 A H2 H 1 7.240 0.02 . 1 . . . G 22 A H2 . 19534 1 72 . 2 2 22 22 A H8 H 1 7.846 0.02 . 1 . . . G 22 A H8 . 19534 1 73 . 2 2 22 22 A C2 C 13 152.877 0.1 . 1 . . . G 22 A C2 . 19534 1 74 . 2 2 22 22 A C8 C 13 139.619 0.1 . 1 . . . G 22 A C8 . 19534 1 75 . 2 2 23 23 U H3 H 1 14.049 0.02 . 1 . . . G 23 U H3 . 19534 1 76 . 2 2 23 23 U H6 H 1 7.384 0.02 . 1 . . . G 23 U H6 . 19534 1 77 . 2 2 23 23 U C6 C 13 141.263 0.1 . 1 . . . G 23 U C6 . 19534 1 78 . 2 2 23 23 U N3 N 15 162.662 0.1 . 1 . . . G 23 U N3 . 19534 1 79 . 2 2 24 24 C H1' H 1 5.379 0.02 . 1 . . . G 24 C H1' . 19534 1 80 . 2 2 24 24 C H5 H 1 5.527 0.02 . 1 . . . G 24 C H5 . 19534 1 81 . 2 2 24 24 C H6 H 1 7.510 0.02 . 1 . . . G 24 C H6 . 19534 1 82 . 2 2 24 24 C C1' C 13 94.679 0.1 . 1 . . . G 24 C C1' . 19534 1 83 . 2 2 24 24 C C5 C 13 98.314 0.1 . 1 . . . G 24 C C5 . 19534 1 84 . 2 2 24 24 C C6 C 13 140.637 0.1 . 1 . . . G 24 C C6 . 19534 1 85 . 2 2 25 25 A H1' H 1 6.288 0.02 . 1 . . . G 25 A H1' . 19534 1 86 . 2 2 25 25 A H2 H 1 7.517 0.02 . 1 . . . G 25 A H2 . 19534 1 87 . 2 2 25 25 A H8 H 1 8.006 0.02 . 1 . . . G 25 A H8 . 19534 1 88 . 2 2 25 25 A C1' C 13 92.454 0.1 . 1 . . . G 25 A C1' . 19534 1 89 . 2 2 25 25 A C2 C 13 154.437 0.1 . 1 . . . G 25 A C2 . 19534 1 90 . 2 2 25 25 A C8 C 13 139.492 0.1 . 1 . . . G 25 A C8 . 19534 1 91 . 2 2 26 26 A H1' H 1 5.714 0.02 . 1 . . . G 26 A H1' . 19534 1 92 . 2 2 26 26 A H2 H 1 8.090 0.02 . 1 . . . G 26 A H2 . 19534 1 93 . 2 2 26 26 A H8 H 1 8.181 0.02 . 1 . . . G 26 A H8 . 19534 1 94 . 2 2 26 26 A C1' C 13 90.569 0.1 . 1 . . . G 26 A C1' . 19534 1 95 . 2 2 26 26 A C2 C 13 155.492 0.1 . 1 . . . G 26 A C2 . 19534 1 96 . 2 2 26 26 A C8 C 13 142.394 0.1 . 1 . . . G 26 A C8 . 19534 1 97 . 2 2 27 27 G H8 H 1 8.045 0.02 . 1 . . . G 27 G H8 . 19534 1 98 . 2 2 27 27 G C8 C 13 139.458 0.1 . 1 . . . G 27 G C8 . 19534 1 99 . 2 2 28 28 G H1 H 1 11.449 0.02 . 1 . . . G 28 G H1 . 19534 1 100 . 2 2 28 28 G H1' H 1 5.748 0.02 . 1 . . . G 28 G H1' . 19534 1 101 . 2 2 28 28 G H8 H 1 8.593 0.02 . 1 . . . G 28 G H8 . 19534 1 102 . 2 2 28 28 G C1' C 13 88.359 0.1 . 1 . . . G 28 G C1' . 19534 1 103 . 2 2 28 28 G C8 C 13 141.685 0.1 . 1 . . . G 28 G C8 . 19534 1 104 . 2 2 28 28 G N1 N 15 146.315 0.1 . 1 . . . G 28 G N1 . 19534 1 105 . 2 2 29 29 A H1' H 1 6.435 0.02 . 1 . . . G 29 A H1' . 19534 1 106 . 2 2 29 29 A H2 H 1 8.532 0.02 . 1 . . . G 29 A H2 . 19534 1 107 . 2 2 29 29 A H8 H 1 9.188 0.02 . 1 . . . G 29 A H8 . 19534 1 108 . 2 2 29 29 A C1' C 13 90.928 0.1 . 1 . . . G 29 A C1' . 19534 1 109 . 2 2 29 29 A C2 C 13 156.960 0.1 . 1 . . . G 29 A C2 . 19534 1 110 . 2 2 29 29 A C8 C 13 142.165 0.1 . 1 . . . G 29 A C8 . 19534 1 111 . 2 2 30 30 C H1' H 1 5.916 0.02 . 1 . . . G 30 C H1' . 19534 1 112 . 2 2 30 30 C H5 H 1 6.021 0.02 . 1 . . . G 30 C H5 . 19534 1 113 . 2 2 30 30 C H6 H 1 7.665 0.02 . 1 . . . G 30 C H6 . 19534 1 114 . 2 2 30 30 C C1' C 13 90.560 0.1 . 1 . . . G 30 C C1' . 19534 1 115 . 2 2 30 30 C C5 C 13 99.161 0.1 . 1 . . . G 30 C C5 . 19534 1 116 . 2 2 30 30 C C6 C 13 143.623 0.1 . 1 . . . G 30 C C6 . 19534 1 117 . 2 2 31 31 G H1 H 1 12.095 0.02 . 1 . . . G 31 G H1 . 19534 1 118 . 2 2 31 31 G H8 H 1 7.053 0.02 . 1 . . . G 31 G H8 . 19534 1 119 . 2 2 31 31 G C8 C 13 136.093 0.1 . 1 . . . G 31 G C8 . 19534 1 120 . 2 2 31 31 G N1 N 15 146.719 0.1 . 1 . . . G 31 G N1 . 19534 1 121 . 2 2 32 32 A H1' H 1 6.042 0.02 . 1 . . . G 32 A H1' . 19534 1 122 . 2 2 32 32 A H2 H 1 7.742 0.02 . 1 . . . G 32 A H2 . 19534 1 123 . 2 2 32 32 A H8 H 1 7.704 0.02 . 1 . . . G 32 A H8 . 19534 1 124 . 2 2 32 32 A C1' C 13 93.475 0.1 . 1 . . . G 32 A C1' . 19534 1 125 . 2 2 32 32 A C2 C 13 153.444 0.1 . 1 . . . G 32 A C2 . 19534 1 126 . 2 2 32 32 A C8 C 13 139.868 0.1 . 1 . . . G 32 A C8 . 19534 1 127 . 2 2 33 33 U H3 H 1 13.429 0.02 . 1 . . . G 33 U H3 . 19534 1 128 . 2 2 33 33 U N3 N 15 162.365 0.1 . 1 . . . G 33 U N3 . 19534 1 129 . 2 2 34 34 G H1 H 1 11.971 0.02 . 1 . . . G 34 G H1 . 19534 1 130 . 2 2 34 34 G H1' H 1 5.803 0.02 . 1 . . . G 34 G H1' . 19534 1 131 . 2 2 34 34 G C1' C 13 93.100 0.1 . 1 . . . G 34 G C1' . 19534 1 132 . 2 2 34 34 G N1 N 15 147.433 0.1 . 1 . . . G 34 G N1 . 19534 1 133 . 2 2 35 35 G H1 H 1 13.440 0.02 . 1 . . . G 35 G H1 . 19534 1 134 . 2 2 35 35 G H1' H 1 5.729 0.02 . 1 . . . G 35 G H1' . 19534 1 135 . 2 2 35 35 G H8 H 1 7.245 0.02 . 1 . . . G 35 G H8 . 19534 1 136 . 2 2 35 35 G C1' C 13 92.806 0.1 . 1 . . . G 35 G C1' . 19534 1 137 . 2 2 35 35 G C8 C 13 136.297 0.1 . 1 . . . G 35 G C8 . 19534 1 138 . 2 2 35 35 G N1 N 15 148.713 0.1 . 1 . . . G 35 G N1 . 19534 1 139 . 2 2 36 36 U H5 H 1 5.365 0.02 . 1 . . . G 36 U H5 . 19534 1 140 . 2 2 36 36 U C5 C 13 104.589 0.1 . 1 . . . G 36 U C5 . 19534 1 141 . 2 2 38 38 A H1' H 1 6.075 0.015 . 9 . . . G 38 A H1' . 19534 1 142 . 2 2 38 38 A H2 H 1 8.540 0.019 . 9 . . . G 38 A H2 . 19534 1 143 . 2 2 38 38 A H8 H 1 8.460 0.016 . 9 . . . G 38 A H8 . 19534 1 144 . 2 2 38 38 A C1' C 13 88.573 0.071 . 9 . . . G 38 A C1' . 19534 1 145 . 2 2 38 38 A C2 C 13 156.189 0.033 . 9 . . . G 38 A C2 . 19534 1 146 . 2 2 38 38 A C8 C 13 142.138 0.010 . 9 . . . G 38 A C8 . 19534 1 147 . 2 2 39 39 G H8 H 1 8.200 0.002 . 1 . . . G 39 G H8 . 19534 1 148 . 2 2 39 39 G C8 C 13 140.151 0.013 . 1 . . . G 39 G C8 . 19534 1 149 . 2 2 40 40 G H1 H 1 11.488 0.02 . 1 . . . G 40 G H1 . 19534 1 150 . 2 2 40 40 G H1' H 1 5.770 0.02 . 1 . . . G 40 G H1' . 19534 1 151 . 2 2 40 40 G H8 H 1 8.503 0.004 . 1 . . . G 40 G H8 . 19534 1 152 . 2 2 40 40 G C1' C 13 88.652 0.1 . 1 . . . G 40 G C1' . 19534 1 153 . 2 2 40 40 G C8 C 13 140.982 0.012 . 1 . . . G 40 G C8 . 19534 1 154 . 2 2 40 40 G N1 N 15 146.380 0.1 . 1 . . . G 40 G N1 . 19534 1 155 . 2 2 41 41 A H1' H 1 6.306 0.02 . 9 . . . G 41 A H1' . 19534 1 156 . 2 2 41 41 A H2 H 1 8.494 0.02 . 9 . . . G 41 A H2 . 19534 1 157 . 2 2 41 41 A H8 H 1 9.244 0.015 . 1 . . . G 41 A H8 . 19534 1 158 . 2 2 41 41 A C1' C 13 90.567 0.1 . 9 . . . G 41 A C1' . 19534 1 159 . 2 2 41 41 A C2 C 13 156.607 0.1 . 9 . . . G 41 A C2 . 19534 1 160 . 2 2 41 41 A C8 C 13 142.651 0.006 . 1 . . . G 41 A C8 . 19534 1 161 . 2 2 42 42 C H5 H 1 5.809 0.02 . 1 . . . G 42 C H5 . 19534 1 162 . 2 2 42 42 C C5 C 13 98.859 0.1 . 1 . . . G 42 C C5 . 19534 1 163 . 2 2 43 43 A H2 H 1 8.090 0.019 . 1 . . . G 43 A H2 . 19534 1 164 . 2 2 43 43 A H8 H 1 8.272 0.02 . 1 . . . G 43 A H8 . 19534 1 165 . 2 2 43 43 A C2 C 13 154.730 0.065 . 1 . . . G 43 A C2 . 19534 1 166 . 2 2 43 43 A C8 C 13 141.423 0.1 . 1 . . . G 43 A C8 . 19534 1 167 . 2 2 45 45 C H1' H 1 5.465 0.02 . 1 . . . G 45 C H1' . 19534 1 168 . 2 2 45 45 C C1' C 13 94.532 0.1 . 1 . . . G 45 C C1' . 19534 1 169 . 2 2 46 46 G H1 H 1 12.791 0.02 . 1 . . . G 46 G H1 . 19534 1 170 . 2 2 46 46 G H1' H 1 5.591 0.02 . 1 . . . G 46 G H1' . 19534 1 171 . 2 2 46 46 G H8 H 1 7.528 0.02 . 1 . . . G 46 G H8 . 19534 1 172 . 2 2 46 46 G C1' C 13 93.701 0.1 . 1 . . . G 46 G C1' . 19534 1 173 . 2 2 46 46 G C8 C 13 136.543 0.1 . 1 . . . G 46 G C8 . 19534 1 174 . 2 2 46 46 G N1 N 15 147.194 0.1 . 1 . . . G 46 G N1 . 19534 1 175 . 2 2 47 47 C H1' H 1 5.448 0.02 . 1 . . . G 47 C H1' . 19534 1 176 . 2 2 47 47 C H6 H 1 7.675 0.02 . 1 . . . G 47 C H6 . 19534 1 177 . 2 2 47 47 C C1' C 13 94.729 0.1 . 1 . . . G 47 C C1' . 19534 1 178 . 2 2 47 47 C C6 C 13 143.300 0.1 . 1 . . . G 47 C C6 . 19534 1 179 . 2 2 48 48 A H1' H 1 6.244 0.02 . 1 . . . G 48 A H1' . 19534 1 180 . 2 2 48 48 A H2 H 1 8.391 0.02 . 1 . . . G 48 A H2 . 19534 1 181 . 2 2 48 48 A H8 H 1 8.543 0.02 . 1 . . . G 48 A H8 . 19534 1 182 . 2 2 48 48 A C1' C 13 91.067 0.1 . 1 . . . G 48 A C1' . 19534 1 183 . 2 2 48 48 A C2 C 13 156.203 0.1 . 1 . . . G 48 A C2 . 19534 1 184 . 2 2 48 48 A C8 C 13 141.211 0.1 . 1 . . . G 48 A C8 . 19534 1 185 . 2 2 49 49 G H1' H 1 5.230 0.02 . 1 . . . G 49 G H1' . 19534 1 186 . 2 2 49 49 G H8 H 1 7.815 0.02 . 1 . . . G 49 G H8 . 19534 1 187 . 2 2 49 49 G C1' C 13 92.406 0.1 . 1 . . . G 49 G C1' . 19534 1 188 . 2 2 49 49 G C8 C 13 140.141 0.1 . 1 . . . G 49 G C8 . 19534 1 189 . 2 2 50 50 G H1 H 1 11.450 0.02 . 1 . . . G 50 G H1 . 19534 1 190 . 2 2 50 50 G H1' H 1 5.770 0.02 . 1 . . . G 50 G H1' . 19534 1 191 . 2 2 50 50 G H8 H 1 8.461 0.02 . 1 . . . G 50 G H8 . 19534 1 192 . 2 2 50 50 G C1' C 13 88.652 0.1 . 1 . . . G 50 G C1' . 19534 1 193 . 2 2 50 50 G C8 C 13 140.977 0.1 . 1 . . . G 50 G C8 . 19534 1 194 . 2 2 50 50 G N1 N 15 146.178 0.1 . 1 . . . G 50 G N1 . 19534 1 195 . 2 2 51 51 A H1' H 1 6.475 0.02 . 1 . . . G 51 A H1' . 19534 1 196 . 2 2 51 51 A H2 H 1 8.516 0.02 . 1 . . . G 51 A H2 . 19534 1 197 . 2 2 51 51 A H3' H 1 5.061 0.02 . 1 . . . G 51 A H3' . 19534 1 198 . 2 2 51 51 A H8 H 1 9.045 0.02 . 1 . . . G 51 A H8 . 19534 1 199 . 2 2 51 51 A C1' C 13 90.539 0.1 . 1 . . . G 51 A C1' . 19534 1 200 . 2 2 51 51 A C2 C 13 156.623 0.1 . 1 . . . G 51 A C2 . 19534 1 201 . 2 2 51 51 A C3' C 13 76.422 0.1 . 1 . . . G 51 A C3' . 19534 1 202 . 2 2 51 51 A C8 C 13 141.967 0.1 . 1 . . . G 51 A C8 . 19534 1 203 . 2 2 52 52 A H1' H 1 6.040 0.02 . 1 . . . G 52 A H1' . 19534 1 204 . 2 2 52 52 A H2 H 1 8.281 0.02 . 1 . . . G 52 A H2 . 19534 1 205 . 2 2 52 52 A H8 H 1 8.307 0.02 . 1 . . . G 52 A H8 . 19534 1 206 . 2 2 52 52 A C1' C 13 90.559 0.1 . 1 . . . G 52 A C1' . 19534 1 207 . 2 2 52 52 A C2 C 13 155.756 0.1 . 1 . . . G 52 A C2 . 19534 1 208 . 2 2 52 52 A C8 C 13 142.304 0.1 . 1 . . . G 52 A C8 . 19534 1 209 . 2 2 53 53 G H1 H 1 13.148 0.02 . 1 . . . G 53 G H1 . 19534 1 210 . 2 2 53 53 G H8 H 1 7.491 0.02 . 1 . . . G 53 G H8 . 19534 1 211 . 2 2 53 53 G C8 C 13 136.604 0.1 . 1 . . . G 53 G C8 . 19534 1 212 . 2 2 53 53 G N1 N 15 148.306 0.1 . 1 . . . G 53 G N1 . 19534 1 213 . 2 2 54 54 C H1' H 1 5.670 0.02 . 1 . . . G 54 C H1' . 19534 1 214 . 2 2 54 54 C C1' C 13 93.549 0.1 . 1 . . . G 54 C C1' . 19534 1 215 . 2 2 55 55 G H1 H 1 12.206 0.02 . 9 . . . G 55 G H1 . 19534 1 216 . 2 2 55 55 G N1 N 15 146.832 0.1 . 9 . . . G 55 G N1 . 19534 1 217 . 2 2 56 56 A H2 H 1 7.981 0.02 . 1 . . . G 56 A H2 . 19534 1 218 . 2 2 56 56 A H8 H 1 7.867 0.02 . 1 . . . G 56 A H8 . 19534 1 219 . 2 2 56 56 A C2 C 13 154.497 0.1 . 1 . . . G 56 A C2 . 19534 1 220 . 2 2 56 56 A C8 C 13 140.165 0.1 . 1 . . . G 56 A C8 . 19534 1 221 . 2 2 59 59 C H1' H 1 5.628 0.02 . 1 . . . G 59 C H1' . 19534 1 222 . 2 2 59 59 C C1' C 13 94.558 0.1 . 1 . . . G 59 C C1' . 19534 1 223 . 2 2 60 60 A H2 H 1 7.377 0.02 . 1 . . . G 60 A H2 . 19534 1 224 . 2 2 60 60 A H8 H 1 7.976 0.02 . 1 . . . G 60 A H8 . 19534 1 225 . 2 2 60 60 A C2 C 13 153.280 0.1 . 1 . . . G 60 A C2 . 19534 1 226 . 2 2 60 60 A C8 C 13 139.910 0.1 . 1 . . . G 60 A C8 . 19534 1 227 . 2 2 61 61 U H1' H 1 5.417 0.02 . 1 . . . G 61 U H1' . 19534 1 228 . 2 2 61 61 U H3 H 1 14.045 0.027 . 1 . . . G 61 U H3 . 19534 1 229 . 2 2 61 61 U H6 H 1 7.361 0.02 . 1 . . . G 61 U H6 . 19534 1 230 . 2 2 61 61 U C1' C 13 93.613 0.1 . 1 . . . G 61 U C1' . 19534 1 231 . 2 2 61 61 U C6 C 13 141.043 0.1 . 1 . . . G 61 U C6 . 19534 1 232 . 2 2 61 61 U N3 N 15 162.162 0.204 . 1 . . . G 61 U N3 . 19534 1 233 . 2 2 62 62 C H1' H 1 5.259 0.02 . 1 . . . G 62 C H1' . 19534 1 234 . 2 2 62 62 C C1' C 13 95.252 0.1 . 1 . . . G 62 C C1' . 19534 1 235 . 2 2 63 63 A H1' H 1 6.172 0.02 . 1 . . . G 63 A H1' . 19534 1 236 . 2 2 63 63 A H2 H 1 8.080 0.02 . 1 . . . G 63 A H2 . 19534 1 237 . 2 2 63 63 A H8 H 1 8.308 0.02 . 1 . . . G 63 A H8 . 19534 1 238 . 2 2 63 63 A C1' C 13 91.631 0.1 . 1 . . . G 63 A C1' . 19534 1 239 . 2 2 63 63 A C2 C 13 155.630 0.1 . 1 . . . G 63 A C2 . 19534 1 240 . 2 2 63 63 A C8 C 13 142.350 0.1 . 1 . . . G 63 A C8 . 19534 1 241 . 2 2 64 64 G H1' H 1 5.264 0.02 . 1 . . . G 64 G H1' . 19534 1 242 . 2 2 64 64 G H8 H 1 7.518 0.02 . 1 . . . G 64 G H8 . 19534 1 243 . 2 2 64 64 G C1' C 13 92.833 0.1 . 1 . . . G 64 G C1' . 19534 1 244 . 2 2 64 64 G C8 C 13 139.465 0.1 . 1 . . . G 64 G C8 . 19534 1 245 . 2 2 65 65 G H1 H 1 11.460 0.034 . 1 . . . G 65 G H1 . 19534 1 246 . 2 2 65 65 G H1' H 1 5.763 0.02 . 1 . . . G 65 G H1' . 19534 1 247 . 2 2 65 65 G H8 H 1 8.384 0.02 . 1 . . . G 65 G H8 . 19534 1 248 . 2 2 65 65 G C1' C 13 88.611 0.1 . 1 . . . G 65 G C1' . 19534 1 249 . 2 2 65 65 G C8 C 13 141.070 0.1 . 1 . . . G 65 G C8 . 19534 1 250 . 2 2 65 65 G N1 N 15 146.045 0.154 . 1 . . . G 65 G N1 . 19534 1 251 . 2 2 66 66 A H1' H 1 6.440 0.004 . 1 . . . G 66 A H1' . 19534 1 252 . 2 2 66 66 A H2 H 1 8.457 0.02 . 1 . . . G 66 A H2 . 19534 1 253 . 2 2 66 66 A H8 H 1 9.100 0.02 . 1 . . . G 66 A H8 . 19534 1 254 . 2 2 66 66 A C1' C 13 90.876 0.036 . 1 . . . G 66 A C1' . 19534 1 255 . 2 2 66 66 A C2 C 13 156.804 0.1 . 1 . . . G 66 A C2 . 19534 1 256 . 2 2 66 66 A C8 C 13 142.345 0.1 . 1 . . . G 66 A C8 . 19534 1 257 . 2 2 67 67 C H1' H 1 5.855 0.02 . 1 . . . G 67 C H1' . 19534 1 258 . 2 2 67 67 C H5 H 1 6.019 0.02 . 1 . . . G 67 C H5 . 19534 1 259 . 2 2 67 67 C H6 H 1 7.669 0.02 . 1 . . . G 67 C H6 . 19534 1 260 . 2 2 67 67 C C1' C 13 92.606 0.1 . 1 . . . G 67 C C1' . 19534 1 261 . 2 2 67 67 C C5 C 13 99.626 0.1 . 1 . . . G 67 C C5 . 19534 1 262 . 2 2 67 67 C C6 C 13 143.958 0.1 . 1 . . . G 67 C C6 . 19534 1 263 . 2 2 68 68 G H1 H 1 12.110 0.005 . 1 . . . G 68 G H1 . 19534 1 264 . 2 2 68 68 G H8 H 1 6.974 0.02 . 1 . . . G 68 G H8 . 19534 1 265 . 2 2 68 68 G C8 C 13 135.451 0.1 . 1 . . . G 68 G C8 . 19534 1 266 . 2 2 68 68 G N1 N 15 147.037 0.251 . 1 . . . G 68 G N1 . 19534 1 267 . 2 2 69 69 A H1' H 1 5.980 0.02 . 1 . . . G 69 A H1' . 19534 1 268 . 2 2 69 69 A H2 H 1 7.793 0.02 . 1 . . . G 69 A H2 . 19534 1 269 . 2 2 69 69 A H8 H 1 7.780 0.02 . 1 . . . G 69 A H8 . 19534 1 270 . 2 2 69 69 A C1' C 13 93.579 0.1 . 1 . . . G 69 A C1' . 19534 1 271 . 2 2 69 69 A C2 C 13 153.853 0.1 . 1 . . . G 69 A C2 . 19534 1 272 . 2 2 69 69 A C8 C 13 140.487 0.1 . 1 . . . G 69 A C8 . 19534 1 273 . 2 2 70 70 U H1' H 1 5.674 0.02 . 1 . . . G 70 U H1' . 19534 1 274 . 2 2 70 70 U H3 H 1 13.757 0.02 . 1 . . . G 70 U H3 . 19534 1 275 . 2 2 70 70 U C1' C 13 92.557 0.1 . 1 . . . G 70 U C1' . 19534 1 276 . 2 2 70 70 U N3 N 15 162.695 0.1 . 1 . . . G 70 U N3 . 19534 1 277 . 2 2 71 71 G H1 H 1 11.827 0.02 . 1 . . . G 71 G H1 . 19534 1 278 . 2 2 71 71 G N1 N 15 146.134 0.1 . 1 . . . G 71 G N1 . 19534 1 279 . 2 2 72 72 A H2 H 1 7.842 0.02 . 1 . . . G 72 A H2 . 19534 1 280 . 2 2 72 72 A C2 C 13 155.512 0.1 . 1 . . . G 72 A C2 . 19534 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19534 _Assigned_chem_shift_list.ID 2 _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 . _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 ; We determined the structure of a multi-domain protein-RNA complex, which is simultaneously present in two conformations in solution. While we observe only one set of resonances for the atoms located on the isolated/rigid domains, some resonances at the connections between the different domains are appearing as two separated peaks, each belonging to one of the two conformations simultaneously present in solution (conformations, which are in slow exchange in respect to the NMR chemical shift timescale). However, we are not able to assign those peaks to a specific conformation. Because of this ambiguity, we have assigned the same chemical shift list (BMRB entry 19534) to both conformations that have a separate pdb code (2mf0 for conformer L and 2mf1 for conformer R). ; _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' . . . 19534 2 2 '2D 1H-15N HSQC' . . . 19534 2 3 '2D 1H-15N HSQC' . . . 19534 2 4 '2D 1H-15N HSQC' . . . 19534 2 5 '2D 1H-15N HSQC' . . . 19534 2 6 '2D 1H-13C TROSY' . . . 19534 2 7 '2D 1H-13C TROSY' . . . 19534 2 8 '2D 1H-13C TROSY' . . . 19534 2 9 '2D 1H-13C TROSY' . . . 19534 2 10 '2D 1H-13C TROSY' . . . 19534 2 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 . 2 2 38 38 A H1' H 1 6.037 0.009 . 9 . . . G 38 A H1' . 19534 2 2 . 2 2 38 38 A H2 H 1 8.248 0.013 . 9 . . . G 38 A H2 . 19534 2 3 . 2 2 38 38 A H8 H 1 8.405 0.02 . 9 . . . G 38 A H8 . 19534 2 4 . 2 2 38 38 A C1' C 13 90.457 0.006 . 9 . . . G 38 A C1' . 19534 2 5 . 2 2 38 38 A C2 C 13 155.178 0.1 . 9 . . . G 38 A C2 . 19534 2 6 . 2 2 38 38 A C8 C 13 144.035 0.1 . 9 . . . G 38 A C8 . 19534 2 7 . 2 2 41 41 A H1' H 1 6.418 0.02 . 9 . . . G 41 A H1' . 19534 2 8 . 2 2 41 41 A H2 H 1 8.142 0.02 . 9 . . . G 41 A H2 . 19534 2 9 . 2 2 41 41 A C1' C 13 91.464 0.1 . 9 . . . G 41 A C1' . 19534 2 10 . 2 2 41 41 A C2 C 13 155.587 0.1 . 9 . . . G 41 A C2 . 19534 2 11 . 2 2 55 55 G H1 H 1 12.091 0.02 . 9 . . . G 55 G H1 . 19534 2 12 . 2 2 55 55 G N1 N 15 146.691 0.1 . 9 . . . G 55 G N1 . 19534 2 stop_ save_