################################### # 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_Shift_Wild_type_in_water _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_Wild_type_in_water _Assigned_chem_shift_list.Entry_ID 5486 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $condition_Water_25C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $water_sample . 5486 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 1 1 LYS HA H 1 4.041 0.001 . 1 . . . . . . . . 5486 1 2 . 1 1 1 1 LYS HB2 H 1 1.737 0.001 . 2 . . . . . . . . 5486 1 3 . 1 1 1 1 LYS HG2 H 1 1.307 0.001 . 2 . . . . . . . . 5486 1 4 . 1 1 1 1 LYS HD2 H 1 1.510 0.001 . 2 . . . . . . . . 5486 1 5 . 1 1 1 1 LYS HE2 H 1 2.817 0.001 . 2 . . . . . . . . 5486 1 6 . 1 1 1 1 LYS HZ1 H 1 7.461 0.001 . 1 . . . . . . . . 5486 1 7 . 1 1 1 1 LYS HZ2 H 1 7.461 0.001 . 1 . . . . . . . . 5486 1 8 . 1 1 1 1 LYS HZ3 H 1 7.461 0.001 . 1 . . . . . . . . 5486 1 9 . 1 1 2 2 TRP H H 1 8.805 0.001 . 1 . . . . . . . . 5486 1 10 . 1 1 2 2 TRP HA H 1 4.838 0.001 . 1 . . . . . . . . 5486 1 11 . 1 1 2 2 TRP HB2 H 1 3.214 0.001 . 2 . . . . . . . . 5486 1 12 . 1 1 2 2 TRP HD1 H 1 7.145 0.001 . 1 . . . . . . . . 5486 1 13 . 1 1 2 2 TRP HE1 H 1 10.018 0.001 . 2 . . . . . . . . 5486 1 14 . 1 1 2 2 TRP HZ2 H 1 7.572 0.001 . 2 . . . . . . . . 5486 1 15 . 1 1 2 2 TRP HH2 H 1 7.312 0.001 . 1 . . . . . . . . 5486 1 16 . 1 1 2 2 TRP HZ3 H 1 7.785 0.001 . 2 . . . . . . . . 5486 1 17 . 1 1 2 2 TRP HE3 H 1 7.179 0.001 . 2 . . . . . . . . 5486 1 18 . 1 1 3 3 CYS H H 1 8.208 0.001 . 1 . . . . . . . . 5486 1 19 . 1 1 3 3 CYS HA H 1 5.359 0.001 . 1 . . . . . . . . 5486 1 20 . 1 1 3 3 CYS HB3 H 1 2.451 0.001 . 2 . . . . . . . . 5486 1 21 . 1 1 3 3 CYS HB2 H 1 2.846 0.001 . 2 . . . . . . . . 5486 1 22 . 1 1 4 4 PHE H H 1 8.649 0.001 . 1 . . . . . . . . 5486 1 23 . 1 1 4 4 PHE HA H 1 4.643 0.001 . 1 . . . . . . . . 5486 1 24 . 1 1 4 4 PHE HB2 H 1 2.859 0.001 . 2 . . . . . . . . 5486 1 25 . 1 1 4 4 PHE HD1 H 1 7.009 0.001 . 2 . . . . . . . . 5486 1 26 . 1 1 4 4 PHE HE1 H 1 6.966 0.001 . 2 . . . . . . . . 5486 1 27 . 1 1 5 5 ARG H H 1 8.459 0.001 . 1 . . . . . . . . 5486 1 28 . 1 1 5 5 ARG HA H 1 4.825 0.001 . 1 . . . . . . . . 5486 1 29 . 1 1 5 5 ARG HB3 H 1 1.505 0.001 . 2 . . . . . . . . 5486 1 30 . 1 1 5 5 ARG HB2 H 1 1.591 0.001 . 2 . . . . . . . . 5486 1 31 . 1 1 5 5 ARG HG2 H 1 1.612 0.001 . 2 . . . . . . . . 5486 1 32 . 1 1 5 5 ARG HD2 H 1 2.985 0.001 . 2 . . . . . . . . 5486 1 33 . 1 1 5 5 ARG HE H 1 7.067 0.001 . 1 . . . . . . . . 5486 1 34 . 1 1 6 6 VAL H H 1 8.758 0.001 . 1 . . . . . . . . 5486 1 35 . 1 1 6 6 VAL HA H 1 4.246 0.001 . 1 . . . . . . . . 5486 1 36 . 1 1 6 6 VAL HB H 1 1.581 0.001 . 1 . . . . . . . . 5486 1 37 . 1 1 6 6 VAL HG11 H 1 0.776 0.001 . 4 . . . . . . . . 5486 1 38 . 1 1 6 6 VAL HG12 H 1 0.776 0.001 . 4 . . . . . . . . 5486 1 39 . 1 1 6 6 VAL HG13 H 1 0.776 0.001 . 4 . . . . . . . . 5486 1 40 . 1 1 7 7 CYS H H 1 8.542 0.001 . 1 . . . . . . . . 5486 1 41 . 1 1 7 7 CYS HA H 1 5.526 0.001 . 1 . . . . . . . . 5486 1 42 . 1 1 7 7 CYS HB3 H 1 2.535 0.001 . 2 . . . . . . . . 5486 1 43 . 1 1 7 7 CYS HB2 H 1 2.920 0.001 . 2 . . . . . . . . 5486 1 44 . 1 1 8 8 TYR H H 1 9.021 0.001 . 1 . . . . . . . . 5486 1 45 . 1 1 8 8 TYR HA H 1 4.620 0.001 . 1 . . . . . . . . 5486 1 46 . 1 1 8 8 TYR HB2 H 1 2.917 0.001 . 2 . . . . . . . . 5486 1 47 . 1 1 8 8 TYR HD1 H 1 7.126 0.001 . 2 . . . . . . . . 5486 1 48 . 1 1 8 8 TYR HE1 H 1 6.738 0.001 . 2 . . . . . . . . 5486 1 49 . 1 1 9 9 ARG H H 1 9.142 0.001 . 1 . . . . . . . . 5486 1 50 . 1 1 9 9 ARG HA H 1 3.595 0.001 . 1 . . . . . . . . 5486 1 51 . 1 1 9 9 ARG HB3 H 1 1.492 0.001 . 2 . . . . . . . . 5486 1 52 . 1 1 9 9 ARG HB2 H 1 1.802 0.001 . 2 . . . . . . . . 5486 1 53 . 1 1 9 9 ARG HG3 H 1 0.854 0.001 . 2 . . . . . . . . 5486 1 54 . 1 1 9 9 ARG HG2 H 1 1.138 0.001 . 2 . . . . . . . . 5486 1 55 . 1 1 9 9 ARG HD2 H 1 2.944 0.001 . 2 . . . . . . . . 5486 1 56 . 1 1 9 9 ARG HE H 1 6.937 0.001 . 1 . . . . . . . . 5486 1 57 . 1 1 10 10 GLY H H 1 8.449 0.001 . 1 . . . . . . . . 5486 1 58 . 1 1 10 10 GLY HA3 H 1 3.440 0.001 . 2 . . . . . . . . 5486 1 59 . 1 1 10 10 GLY HA2 H 1 4.036 0.001 . 2 . . . . . . . . 5486 1 60 . 1 1 11 11 ILE H H 1 7.684 0.001 . 1 . . . . . . . . 5486 1 61 . 1 1 11 11 ILE HA H 1 4.182 0.001 . 1 . . . . . . . . 5486 1 62 . 1 1 11 11 ILE HG13 H 1 1.388 0.001 . 4 . . . . . . . . 5486 1 63 . 1 1 11 11 ILE HG12 H 1 1.044 0.001 . 4 . . . . . . . . 5486 1 64 . 1 1 11 11 ILE HD11 H 1 0.642 0.001 . 1 . . . . . . . . 5486 1 65 . 1 1 11 11 ILE HD12 H 1 0.642 0.001 . 1 . . . . . . . . 5486 1 66 . 1 1 11 11 ILE HD13 H 1 0.642 0.001 . 1 . . . . . . . . 5486 1 67 . 1 1 11 11 ILE HG21 H 1 0.763 0.001 . 4 . . . . . . . . 5486 1 68 . 1 1 11 11 ILE HG22 H 1 0.763 0.001 . 4 . . . . . . . . 5486 1 69 . 1 1 11 11 ILE HG23 H 1 0.763 0.001 . 4 . . . . . . . . 5486 1 70 . 1 1 12 12 CYS H H 1 8.558 0.001 . 1 . . . . . . . . 5486 1 71 . 1 1 12 12 CYS HA H 1 5.570 0.001 . 1 . . . . . . . . 5486 1 72 . 1 1 12 12 CYS HB3 H 1 2.524 0.001 . 2 . . . . . . . . 5486 1 73 . 1 1 12 12 CYS HB2 H 1 2.824 0.001 . 2 . . . . . . . . 5486 1 74 . 1 1 13 13 TYR H H 1 9.065 0.001 . 1 . . . . . . . . 5486 1 75 . 1 1 13 13 TYR HA H 1 4.819 0.001 . 1 . . . . . . . . 5486 1 76 . 1 1 13 13 TYR HB3 H 1 2.717 0.001 . 2 . . . . . . . . 5486 1 77 . 1 1 13 13 TYR HB2 H 1 2.924 0.001 . 2 . . . . . . . . 5486 1 78 . 1 1 13 13 TYR HD1 H 1 6.924 0.001 . 2 . . . . . . . . 5486 1 79 . 1 1 13 13 TYR HE1 H 1 6.613 0.001 . 2 . . . . . . . . 5486 1 80 . 1 1 14 14 ARG H H 1 8.552 0.001 . 1 . . . . . . . . 5486 1 81 . 1 1 14 14 ARG HA H 1 4.695 0.001 . 1 . . . . . . . . 5486 1 82 . 1 1 14 14 ARG HB3 H 1 1.320 0.001 . 2 . . . . . . . . 5486 1 83 . 1 1 14 14 ARG HB2 H 1 1.564 0.001 . 2 . . . . . . . . 5486 1 84 . 1 1 14 14 ARG HG2 H 1 1.211 0.001 . 2 . . . . . . . . 5486 1 85 . 1 1 14 14 ARG HD2 H 1 2.939 0.001 . 2 . . . . . . . . 5486 1 86 . 1 1 14 14 ARG HE H 1 7.065 0.001 . 1 . . . . . . . . 5486 1 87 . 1 1 15 15 ARG H H 1 8.625 0.001 . 1 . . . . . . . . 5486 1 88 . 1 1 15 15 ARG HA H 1 4.424 0.001 . 1 . . . . . . . . 5486 1 89 . 1 1 15 15 ARG HB3 H 1 1.315 0.001 . 2 . . . . . . . . 5486 1 90 . 1 1 15 15 ARG HB2 H 1 1.413 0.001 . 2 . . . . . . . . 5486 1 91 . 1 1 15 15 ARG HG2 H 1 1.110 0.001 . 2 . . . . . . . . 5486 1 92 . 1 1 15 15 ARG HD2 H 1 3.080 0.001 . 2 . . . . . . . . 5486 1 93 . 1 1 15 15 ARG HE H 1 7.058 0.001 . 1 . . . . . . . . 5486 1 94 . 1 1 16 16 CYS H H 1 8.525 0.001 . 1 . . . . . . . . 5486 1 95 . 1 1 16 16 CYS HA H 1 5.364 0.001 . 1 . . . . . . . . 5486 1 96 . 1 1 16 16 CYS HB3 H 1 2.638 0.001 . 2 . . . . . . . . 5486 1 97 . 1 1 16 16 CYS HB2 H 1 2.860 0.001 . 2 . . . . . . . . 5486 1 98 . 1 1 17 17 ARG H H 1 8.825 0.001 . 1 . . . . . . . . 5486 1 99 . 1 1 17 17 ARG HA H 1 4.443 0.001 . 1 . . . . . . . . 5486 1 100 . 1 1 17 17 ARG HB2 H 1 1.867 0.001 . 2 . . . . . . . . 5486 1 101 . 1 1 17 17 ARG HG2 H 1 1.648 0.001 . 2 . . . . . . . . 5486 1 102 . 1 1 17 17 ARG HD2 H 1 3.102 0.001 . 2 . . . . . . . . 5486 1 103 . 1 1 17 17 ARG HE H 1 7.101 0.001 . 1 . . . . . . . . 5486 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 39 5486 1 1 38 5486 1 1 37 5486 1 2 69 5486 1 2 68 5486 1 2 67 5486 1 2 63 5486 1 2 62 5486 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_Shift_Wild_type_in_DPC_micelles _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Shift_Wild_type_in_DPC_micelles _Assigned_chem_shift_list.Entry_ID 5486 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $condition_DPC_40C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $DPC_micelle_sample . 5486 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 . 1 1 1 1 LYS HA H 1 4.175 0.001 . 1 . . . . . . . . 5486 2 2 . 1 1 2 2 TRP H H 1 8.898 0.001 . 1 . . . . . . . . 5486 2 3 . 1 1 2 2 TRP HA H 1 4.884 0.001 . 1 . . . . . . . . 5486 2 4 . 1 1 2 2 TRP HB2 H 1 3.296 0.001 . 2 . . . . . . . . 5486 2 5 . 1 1 2 2 TRP HD1 H 1 7.333 0.001 . 1 . . . . . . . . 5486 2 6 . 1 1 2 2 TRP HE1 H 1 10.512 0.001 . 2 . . . . . . . . 5486 2 7 . 1 1 2 2 TRP HZ2 H 1 7.527 0.001 . 2 . . . . . . . . 5486 2 8 . 1 1 2 2 TRP HZ3 H 1 7.411 0.001 . 2 . . . . . . . . 5486 2 9 . 1 1 2 2 TRP HE3 H 1 6.947 0.001 . 2 . . . . . . . . 5486 2 10 . 1 1 3 3 CYS H H 1 8.381 0.001 . 1 . . . . . . . . 5486 2 11 . 1 1 3 3 CYS HA H 1 5.227 0.001 . 1 . . . . . . . . 5486 2 12 . 1 1 3 3 CYS HB3 H 1 2.669 0.001 . 2 . . . . . . . . 5486 2 13 . 1 1 3 3 CYS HB2 H 1 2.910 0.001 . 2 . . . . . . . . 5486 2 14 . 1 1 4 4 PHE H H 1 8.151 0.001 . 1 . . . . . . . . 5486 2 15 . 1 1 4 4 PHE HA H 1 4.780 0.001 . 1 . . . . . . . . 5486 2 16 . 1 1 4 4 PHE HB3 H 1 2.749 0.001 . 2 . . . . . . . . 5486 2 17 . 1 1 4 4 PHE HB2 H 1 2.955 0.001 . 2 . . . . . . . . 5486 2 18 . 1 1 4 4 PHE HD1 H 1 6.910 0.001 . 2 . . . . . . . . 5486 2 19 . 1 1 4 4 PHE HE1 H 1 7.076 0.001 . 2 . . . . . . . . 5486 2 20 . 1 1 5 5 ARG H H 1 8.230 0.001 . 1 . . . . . . . . 5486 2 21 . 1 1 5 5 ARG HA H 1 5.304 0.001 . 1 . . . . . . . . 5486 2 22 . 1 1 5 5 ARG HB2 H 1 1.706 0.001 . 2 . . . . . . . . 5486 2 23 . 1 1 5 5 ARG HG3 H 1 1.411 0.001 . 2 . . . . . . . . 5486 2 24 . 1 1 5 5 ARG HG2 H 1 1.506 0.001 . 2 . . . . . . . . 5486 2 25 . 1 1 5 5 ARG HD2 H 1 3.029 0.001 . 2 . . . . . . . . 5486 2 26 . 1 1 5 5 ARG HE H 1 7.159 0.001 . 1 . . . . . . . . 5486 2 27 . 1 1 6 6 VAL H H 1 8.702 0.001 . 1 . . . . . . . . 5486 2 28 . 1 1 6 6 VAL HA H 1 4.580 0.001 . 1 . . . . . . . . 5486 2 29 . 1 1 6 6 VAL HB H 1 2.076 0.001 . 1 . . . . . . . . 5486 2 30 . 1 1 6 6 VAL HG11 H 1 1.051 0.001 . 4 . . . . . . . . 5486 2 31 . 1 1 6 6 VAL HG12 H 1 1.051 0.001 . 4 . . . . . . . . 5486 2 32 . 1 1 6 6 VAL HG13 H 1 1.051 0.001 . 4 . . . . . . . . 5486 2 33 . 1 1 7 7 CYS H H 1 8.483 0.001 . 1 . . . . . . . . 5486 2 34 . 1 1 7 7 CYS HA H 1 5.877 0.001 . 1 . . . . . . . . 5486 2 35 . 1 1 7 7 CYS HB3 H 1 2.694 0.001 . 2 . . . . . . . . 5486 2 36 . 1 1 7 7 CYS HB2 H 1 3.005 0.001 . 2 . . . . . . . . 5486 2 37 . 1 1 8 8 TYR H H 1 9.139 0.001 . 1 . . . . . . . . 5486 2 38 . 1 1 8 8 TYR HA H 1 4.638 0.001 . 1 . . . . . . . . 5486 2 39 . 1 1 8 8 TYR HB3 H 1 2.759 0.001 . 2 . . . . . . . . 5486 2 40 . 1 1 8 8 TYR HB2 H 1 2.986 0.001 . 2 . . . . . . . . 5486 2 41 . 1 1 8 8 TYR HD1 H 1 7.091 0.001 . 2 . . . . . . . . 5486 2 42 . 1 1 8 8 TYR HE1 H 1 6.785 0.001 . 2 . . . . . . . . 5486 2 43 . 1 1 9 9 ARG H H 1 8.842 0.001 . 1 . . . . . . . . 5486 2 44 . 1 1 9 9 ARG HA H 1 3.520 0.001 . 1 . . . . . . . . 5486 2 45 . 1 1 9 9 ARG HB3 H 1 1.424 0.001 . 2 . . . . . . . . 5486 2 46 . 1 1 9 9 ARG HB2 H 1 1.855 0.001 . 2 . . . . . . . . 5486 2 47 . 1 1 9 9 ARG HG3 H 1 0.703 0.001 . 2 . . . . . . . . 5486 2 48 . 1 1 9 9 ARG HG2 H 1 1.015 0.001 . 2 . . . . . . . . 5486 2 49 . 1 1 9 9 ARG HD2 H 1 2.951 0.001 . 2 . . . . . . . . 5486 2 50 . 1 1 9 9 ARG HE H 1 7.070 0.001 . 1 . . . . . . . . 5486 2 51 . 1 1 10 10 GLY H H 1 8.367 0.001 . 1 . . . . . . . . 5486 2 52 . 1 1 10 10 GLY HA3 H 1 3.520 0.001 . 2 . . . . . . . . 5486 2 53 . 1 1 10 10 GLY HA2 H 1 4.064 0.001 . 2 . . . . . . . . 5486 2 54 . 1 1 11 11 ILE H H 1 7.990 0.001 . 1 . . . . . . . . 5486 2 55 . 1 1 11 11 ILE HA H 1 4.255 0.001 . 1 . . . . . . . . 5486 2 56 . 1 1 11 11 ILE HB H 1 2.157 0.001 . 1 . . . . . . . . 5486 2 57 . 1 1 11 11 ILE HG12 H 1 1.549 0.001 . 4 . . . . . . . . 5486 2 58 . 1 1 11 11 ILE HD11 H 1 0.846 0.001 . 1 . . . . . . . . 5486 2 59 . 1 1 11 11 ILE HD12 H 1 0.846 0.001 . 1 . . . . . . . . 5486 2 60 . 1 1 11 11 ILE HD13 H 1 0.846 0.001 . 1 . . . . . . . . 5486 2 61 . 1 1 11 11 ILE HG21 H 1 1.186 0.001 . 4 . . . . . . . . 5486 2 62 . 1 1 11 11 ILE HG22 H 1 1.186 0.001 . 4 . . . . . . . . 5486 2 63 . 1 1 11 11 ILE HG23 H 1 1.186 0.001 . 4 . . . . . . . . 5486 2 64 . 1 1 12 12 CYS H H 1 8.316 0.001 . 1 . . . . . . . . 5486 2 65 . 1 1 12 12 CYS HA H 1 5.690 0.001 . 1 . . . . . . . . 5486 2 66 . 1 1 12 12 CYS HB3 H 1 2.538 0.001 . 2 . . . . . . . . 5486 2 67 . 1 1 12 12 CYS HB2 H 1 2.920 0.001 . 2 . . . . . . . . 5486 2 68 . 1 1 13 13 TYR H H 1 9.203 0.001 . 1 . . . . . . . . 5486 2 69 . 1 1 13 13 TYR HA H 1 4.679 0.001 . 1 . . . . . . . . 5486 2 70 . 1 1 13 13 TYR HB2 H 1 2.813 0.001 . 2 . . . . . . . . 5486 2 71 . 1 1 13 13 TYR HD1 H 1 7.003 0.001 . 2 . . . . . . . . 5486 2 72 . 1 1 13 13 TYR HE1 H 1 6.709 0.001 . 2 . . . . . . . . 5486 2 73 . 1 1 14 14 ARG H H 1 7.940 0.001 . 1 . . . . . . . . 5486 2 74 . 1 1 14 14 ARG HA H 1 5.056 0.001 . 1 . . . . . . . . 5486 2 75 . 1 1 14 14 ARG HB3 H 1 1.651 0.001 . 2 . . . . . . . . 5486 2 76 . 1 1 14 14 ARG HG3 H 1 1.409 0.001 . 2 . . . . . . . . 5486 2 77 . 1 1 14 14 ARG HG2 H 1 1.383 0.001 . 2 . . . . . . . . 5486 2 78 . 1 1 14 14 ARG HE H 1 7.529 0.001 . 1 . . . . . . . . 5486 2 79 . 1 1 15 15 ARG H H 1 8.023 0.001 . 1 . . . . . . . . 5486 2 80 . 1 1 15 15 ARG HA H 1 4.305 0.001 . 1 . . . . . . . . 5486 2 81 . 1 1 15 15 ARG HB3 H 1 1.398 0.001 . 2 . . . . . . . . 5486 2 82 . 1 1 15 15 ARG HB2 H 1 1.509 0.001 . 2 . . . . . . . . 5486 2 83 . 1 1 15 15 ARG HD2 H 1 3.027 0.001 . 2 . . . . . . . . 5486 2 84 . 1 1 15 15 ARG HE H 1 7.145 0.001 . 1 . . . . . . . . 5486 2 85 . 1 1 16 16 CYS H H 1 8.514 0.001 . 1 . . . . . . . . 5486 2 86 . 1 1 16 16 CYS HA H 1 5.315 0.001 . 1 . . . . . . . . 5486 2 87 . 1 1 16 16 CYS HB3 H 1 2.844 0.001 . 2 . . . . . . . . 5486 2 88 . 1 1 16 16 CYS HB2 H 1 2.997 0.001 . 2 . . . . . . . . 5486 2 89 . 1 1 17 17 ARG H H 1 8.752 0.001 . 1 . . . . . . . . 5486 2 90 . 1 1 17 17 ARG HA H 1 4.430 0.001 . 1 . . . . . . . . 5486 2 91 . 1 1 17 17 ARG HB2 H 1 1.879 0.001 . 2 . . . . . . . . 5486 2 92 . 1 1 17 17 ARG HG3 H 1 1.679 0.001 . 2 . . . . . . . . 5486 2 93 . 1 1 17 17 ARG HG2 H 1 1.689 0.001 . 2 . . . . . . . . 5486 2 94 . 1 1 17 17 ARG HD2 H 1 3.229 0.001 . 2 . . . . . . . . 5486 2 95 . 1 1 17 17 ARG HE H 1 7.598 0.001 . 1 . . . . . . . . 5486 2 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 32 5486 2 1 31 5486 2 1 30 5486 2 2 63 5486 2 2 62 5486 2 2 61 5486 2 2 57 5486 2 stop_ save_