################################### # 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 16727 _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 . _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 '3D 1H-15N NOESY' . . . 16727 1 4 '2D 1H-1H NOESY' . . . 16727 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 2 $NMRView . . 16727 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 2 2 MET H H 1 8.721 . . 1 . . . . 2 MET HN . 16727 1 2 . 1 1 2 2 MET HA H 1 4.779 . . 1 . . . . 2 MET HA . 16727 1 3 . 1 1 3 3 GLY H H 1 8.466 . . 1 . . . . 3 GLY HN . 16727 1 4 . 1 1 3 3 GLY HA2 H 1 4.001 . . 2 . . . . 3 GLY HA1 . 16727 1 5 . 1 1 3 3 GLY HA3 H 1 3.914 . . 2 . . . . 3 GLY HA2 . 16727 1 6 . 1 1 4 4 LYS H H 1 8.312 . . 1 . . . . 4 LYS HN . 16727 1 7 . 1 1 4 4 LYS HA H 1 4.319 . . 1 . . . . 4 LYS HA . 16727 1 8 . 1 1 4 4 LYS HB2 H 1 1.870 . . 2 . . . . 4 LYS HB1 . 16727 1 9 . 1 1 4 4 LYS HB3 H 1 1.663 . . 2 . . . . 4 LYS HB2 . 16727 1 10 . 1 1 4 4 LYS HG2 H 1 1.416 . . 2 . . . . 4 LYS HG1 . 16727 1 11 . 1 1 5 5 CYS H H 1 8.745 . . 1 . . . . 5 CYS HN . 16727 1 12 . 1 1 5 5 CYS HA H 1 4.582 . . 1 . . . . 5 CYS HA . 16727 1 13 . 1 1 5 5 CYS HB2 H 1 3.428 . . 2 . . . . 5 CYS HB1 . 16727 1 14 . 1 1 5 5 CYS HB3 H 1 2.589 . . 2 . . . . 5 CYS HB2 . 16727 1 15 . 1 1 6 6 SER H H 1 8.457 . . 1 . . . . 6 SER HN . 16727 1 16 . 1 1 6 6 SER HA H 1 4.505 . . 1 . . . . 6 SER HA . 16727 1 17 . 1 1 6 6 SER HB2 H 1 4.371 . . 2 . . . . 6 SER HB1 . 16727 1 18 . 1 1 7 7 VAL H H 1 8.591 . . 1 . . . . 7 VAL HN . 16727 1 19 . 1 1 7 7 VAL HA H 1 3.740 . . 1 . . . . 7 VAL HA . 16727 1 20 . 1 1 7 7 VAL HB H 1 2.093 . . 1 . . . . 7 VAL HB . 16727 1 21 . 1 1 7 7 VAL HG11 H 1 1.097 . . 4 . . . . 7 VAL HG11 . 16727 1 22 . 1 1 7 7 VAL HG12 H 1 1.097 . . 4 . . . . 7 VAL HG11 . 16727 1 23 . 1 1 7 7 VAL HG13 H 1 1.097 . . 4 . . . . 7 VAL HG11 . 16727 1 24 . 1 1 7 7 VAL HG21 H 1 1.003 . . 4 . . . . 7 VAL HG21 . 16727 1 25 . 1 1 7 7 VAL HG22 H 1 1.003 . . 4 . . . . 7 VAL HG21 . 16727 1 26 . 1 1 7 7 VAL HG23 H 1 1.003 . . 4 . . . . 7 VAL HG21 . 16727 1 27 . 1 1 8 8 LEU H H 1 7.751 . . 1 . . . . 8 LEU HN . 16727 1 28 . 1 1 8 8 LEU HA H 1 4.140 . . 1 . . . . 8 LEU HA . 16727 1 29 . 1 1 8 8 LEU HB2 H 1 1.706 . . 2 . . . . 8 LEU HB1 . 16727 1 30 . 1 1 8 8 LEU HD11 H 1 0.945 . . 4 . . . . 8 LEU HD11 . 16727 1 31 . 1 1 8 8 LEU HD12 H 1 0.945 . . 4 . . . . 8 LEU HD11 . 16727 1 32 . 1 1 8 8 LEU HD13 H 1 0.945 . . 4 . . . . 8 LEU HD11 . 16727 1 33 . 1 1 8 8 LEU HD21 H 1 0.889 . . 4 . . . . 8 LEU HD21 . 16727 1 34 . 1 1 8 8 LEU HD22 H 1 0.889 . . 4 . . . . 8 LEU HD21 . 16727 1 35 . 1 1 8 8 LEU HD23 H 1 0.889 . . 4 . . . . 8 LEU HD21 . 16727 1 36 . 1 1 8 8 LEU HG H 1 1.503 . . 1 . . . . 8 LEU HG . 16727 1 37 . 1 1 9 9 LYS H H 1 7.834 . . 1 . . . . 9 LYS HN . 16727 1 38 . 1 1 9 9 LYS HA H 1 4.104 . . 1 . . . . 9 LYS HA . 16727 1 39 . 1 1 9 9 LYS HB2 H 1 2.176 . . 2 . . . . 9 LYS HB1 . 16727 1 40 . 1 1 9 9 LYS HB3 H 1 1.883 . . 2 . . . . 9 LYS HB2 . 16727 1 41 . 1 1 9 9 LYS HG2 H 1 1.687 . . 2 . . . . 9 LYS HG1 . 16727 1 42 . 1 1 10 10 LYS H H 1 8.602 . . 1 . . . . 10 LYS HN . 16727 1 43 . 1 1 10 10 LYS HA H 1 3.680 . . 1 . . . . 10 LYS HA . 16727 1 44 . 1 1 10 10 LYS HB2 H 1 2.021 . . 2 . . . . 10 LYS HB1 . 16727 1 45 . 1 1 11 11 VAL H H 1 7.550 . . 1 . . . . 11 VAL HN . 16727 1 46 . 1 1 11 11 VAL HA H 1 3.767 . . 1 . . . . 11 VAL HA . 16727 1 47 . 1 1 11 11 VAL HB H 1 2.162 . . 1 . . . . 11 VAL HB . 16727 1 48 . 1 1 11 11 VAL HG11 H 1 1.129 . . 4 . . . . 11 VAL HG11 . 16727 1 49 . 1 1 11 11 VAL HG12 H 1 1.129 . . 4 . . . . 11 VAL HG11 . 16727 1 50 . 1 1 11 11 VAL HG13 H 1 1.129 . . 4 . . . . 11 VAL HG11 . 16727 1 51 . 1 1 11 11 VAL HG21 H 1 1.002 . . 4 . . . . 11 VAL HG21 . 16727 1 52 . 1 1 11 11 VAL HG22 H 1 1.002 . . 4 . . . . 11 VAL HG21 . 16727 1 53 . 1 1 11 11 VAL HG23 H 1 1.002 . . 4 . . . . 11 VAL HG21 . 16727 1 54 . 1 1 12 12 ALA H H 1 7.911 . . 1 . . . . 12 ALA HN . 16727 1 55 . 1 1 12 12 ALA HA H 1 4.267 . . 1 . . . . 12 ALA HA . 16727 1 56 . 1 1 12 12 ALA HB1 H 1 1.600 . . 1 . . . . 12 ALA HB1 . 16727 1 57 . 1 1 12 12 ALA HB2 H 1 1.600 . . 1 . . . . 12 ALA HB1 . 16727 1 58 . 1 1 12 12 ALA HB3 H 1 1.600 . . 1 . . . . 12 ALA HB1 . 16727 1 59 . 1 1 13 13 CYS H H 1 8.379 . . 1 . . . . 13 CYS HN . 16727 1 60 . 1 1 13 13 CYS HA H 1 4.621 . . 1 . . . . 13 CYS HA . 16727 1 61 . 1 1 13 13 CYS HB2 H 1 3.044 . . 2 . . . . 13 CYS HB1 . 16727 1 62 . 1 1 13 13 CYS HB3 H 1 2.988 . . 2 . . . . 13 CYS HB2 . 16727 1 63 . 1 1 14 14 ALA H H 1 7.595 . . 1 . . . . 14 ALA HN . 16727 1 64 . 1 1 14 14 ALA HA H 1 4.043 . . 1 . . . . 14 ALA HA . 16727 1 65 . 1 1 14 14 ALA HB1 H 1 1.597 . . 1 . . . . 14 ALA HB1 . 16727 1 66 . 1 1 14 14 ALA HB2 H 1 1.597 . . 1 . . . . 14 ALA HB1 . 16727 1 67 . 1 1 14 14 ALA HB3 H 1 1.597 . . 1 . . . . 14 ALA HB1 . 16727 1 68 . 1 1 15 15 ALA H H 1 8.756 . . 1 . . . . 15 ALA HN . 16727 1 69 . 1 1 15 15 ALA HA H 1 4.235 . . 1 . . . . 15 ALA HA . 16727 1 70 . 1 1 15 15 ALA HB1 H 1 1.474 . . 1 . . . . 15 ALA HB1 . 16727 1 71 . 1 1 15 15 ALA HB2 H 1 1.474 . . 1 . . . . 15 ALA HB1 . 16727 1 72 . 1 1 15 15 ALA HB3 H 1 1.474 . . 1 . . . . 15 ALA HB1 . 16727 1 73 . 1 1 16 16 ALA H H 1 8.587 . . 1 . . . . 16 ALA HN . 16727 1 74 . 1 1 16 16 ALA HA H 1 4.100 . . 1 . . . . 16 ALA HA . 16727 1 75 . 1 1 16 16 ALA HB1 H 1 1.415 . . 1 . . . . 16 ALA HB1 . 16727 1 76 . 1 1 16 16 ALA HB2 H 1 1.415 . . 1 . . . . 16 ALA HB1 . 16727 1 77 . 1 1 16 16 ALA HB3 H 1 1.415 . . 1 . . . . 16 ALA HB1 . 16727 1 78 . 1 1 17 17 ILE H H 1 8.505 . . 1 . . . . 17 ILE HN . 16727 1 79 . 1 1 17 17 ILE HA H 1 4.196 . . 1 . . . . 17 ILE HA . 16727 1 80 . 1 1 17 17 ILE HB H 1 1.873 . . 1 . . . . 17 ILE HB . 16727 1 81 . 1 1 17 17 ILE HD11 H 1 0.832 . . 1 . . . . 17 ILE HD11 . 16727 1 82 . 1 1 17 17 ILE HD12 H 1 0.832 . . 1 . . . . 17 ILE HD11 . 16727 1 83 . 1 1 17 17 ILE HD13 H 1 0.832 . . 1 . . . . 17 ILE HD11 . 16727 1 84 . 1 1 17 17 ILE HG12 H 1 1.076 . . 9 . . . . 17 ILE HG11 . 16727 1 85 . 1 1 17 17 ILE HG21 H 1 0.985 . . 4 . . . . 17 ILE HG21 . 16727 1 86 . 1 1 17 17 ILE HG22 H 1 0.985 . . 4 . . . . 17 ILE HG21 . 16727 1 87 . 1 1 17 17 ILE HG23 H 1 0.985 . . 4 . . . . 17 ILE HG21 . 16727 1 88 . 1 1 18 18 ALA H H 1 8.304 . . 1 . . . . 18 ALA HN . 16727 1 89 . 1 1 18 18 ALA HA H 1 4.082 . . 1 . . . . 18 ALA HA . 16727 1 90 . 1 1 18 18 ALA HB1 H 1 1.493 . . 1 . . . . 18 ALA HB1 . 16727 1 91 . 1 1 18 18 ALA HB2 H 1 1.493 . . 1 . . . . 18 ALA HB1 . 16727 1 92 . 1 1 18 18 ALA HB3 H 1 1.493 . . 1 . . . . 18 ALA HB1 . 16727 1 93 . 1 1 19 19 GLY H H 1 8.402 . . 1 . . . . 19 GLY HN . 16727 1 94 . 1 1 19 19 GLY HA2 H 1 3.882 . . 2 . . . . 19 GLY HA1 . 16727 1 95 . 1 1 20 20 ALA H H 1 7.985 . . 1 . . . . 20 ALA HN . 16727 1 96 . 1 1 20 20 ALA HA H 1 4.091 . . 1 . . . . 20 ALA HA . 16727 1 97 . 1 1 20 20 ALA HB1 H 1 1.390 . . 1 . . . . 20 ALA HB1 . 16727 1 98 . 1 1 20 20 ALA HB2 H 1 1.390 . . 1 . . . . 20 ALA HB1 . 16727 1 99 . 1 1 20 20 ALA HB3 H 1 1.390 . . 1 . . . . 20 ALA HB1 . 16727 1 100 . 1 1 21 21 VAL H H 1 8.456 . . 1 . . . . 21 VAL HN . 16727 1 101 . 1 1 21 21 VAL HA H 1 3.417 . . 1 . . . . 21 VAL HA . 16727 1 102 . 1 1 21 21 VAL HB H 1 2.010 . . 1 . . . . 21 VAL HB . 16727 1 103 . 1 1 21 21 VAL HG11 H 1 0.945 . . 4 . . . . 21 VAL HG11 . 16727 1 104 . 1 1 21 21 VAL HG12 H 1 0.945 . . 4 . . . . 21 VAL HG11 . 16727 1 105 . 1 1 21 21 VAL HG13 H 1 0.945 . . 4 . . . . 21 VAL HG11 . 16727 1 106 . 1 1 21 21 VAL HG21 H 1 0.748 . . 4 . . . . 21 VAL HG21 . 16727 1 107 . 1 1 21 21 VAL HG22 H 1 0.748 . . 4 . . . . 21 VAL HG21 . 16727 1 108 . 1 1 21 21 VAL HG23 H 1 0.748 . . 4 . . . . 21 VAL HG21 . 16727 1 109 . 1 1 22 22 ALA H H 1 7.878 . . 1 . . . . 22 ALA HN . 16727 1 110 . 1 1 22 22 ALA HA H 1 4.107 . . 1 . . . . 22 ALA HA . 16727 1 111 . 1 1 22 22 ALA HB1 H 1 1.492 . . 1 . . . . 22 ALA HB1 . 16727 1 112 . 1 1 22 22 ALA HB2 H 1 1.492 . . 1 . . . . 22 ALA HB1 . 16727 1 113 . 1 1 22 22 ALA HB3 H 1 1.492 . . 1 . . . . 22 ALA HB1 . 16727 1 114 . 1 1 23 23 ALA H H 1 8.032 . . 1 . . . . 23 ALA HN . 16727 1 115 . 1 1 23 23 ALA HA H 1 4.120 . . 1 . . . . 23 ALA HA . 16727 1 116 . 1 1 23 23 ALA HB1 H 1 1.493 . . 1 . . . . 23 ALA HB1 . 16727 1 117 . 1 1 23 23 ALA HB2 H 1 1.493 . . 1 . . . . 23 ALA HB1 . 16727 1 118 . 1 1 23 23 ALA HB3 H 1 1.493 . . 1 . . . . 23 ALA HB1 . 16727 1 119 . 1 1 24 24 CYS H H 1 8.032 . . 1 . . . . 24 CYS HN . 16727 1 120 . 1 1 24 24 CYS HA H 1 4.497 . . 1 . . . . 24 CYS HA . 16727 1 121 . 1 1 24 24 CYS HB2 H 1 3.294 . . 2 . . . . 24 CYS HB1 . 16727 1 122 . 1 1 24 24 CYS HB3 H 1 3.027 . . 2 . . . . 24 CYS HB2 . 16727 1 123 . 1 1 25 25 GLY H H 1 7.977 . . 1 . . . . 25 GLY HN . 16727 1 124 . 1 1 25 25 GLY HA2 H 1 4.106 . . 2 . . . . 25 GLY HA1 . 16727 1 125 . 1 1 25 25 GLY HA3 H 1 3.852 . . 2 . . . . 25 GLY HA2 . 16727 1 126 . 1 1 26 26 GLY H H 1 8.098 . . 1 . . . . 26 GLY HN . 16727 1 127 . 1 1 26 26 GLY HA2 H 1 4.328 . . 2 . . . . 26 GLY HA1 . 16727 1 128 . 1 1 26 26 GLY HA3 H 1 3.646 . . 2 . . . . 26 GLY HA2 . 16727 1 129 . 1 1 27 27 ILE H H 1 8.317 . . 1 . . . . 27 ILE HN . 16727 1 130 . 1 1 27 27 ILE HA H 1 3.847 . . 1 . . . . 27 ILE HA . 16727 1 131 . 1 1 27 27 ILE HB H 1 2.073 . . 1 . . . . 27 ILE HB . 16727 1 132 . 1 1 27 27 ILE HD11 H 1 0.716 . . 1 . . . . 27 ILE HD11 . 16727 1 133 . 1 1 27 27 ILE HD12 H 1 0.716 . . 1 . . . . 27 ILE HD11 . 16727 1 134 . 1 1 27 27 ILE HD13 H 1 0.716 . . 1 . . . . 27 ILE HD11 . 16727 1 135 . 1 1 27 27 ILE HG12 H 1 1.468 . . 9 . . . . 27 ILE HG11 . 16727 1 136 . 1 1 27 27 ILE HG13 H 1 1.294 . . 9 . . . . 27 ILE HG12 . 16727 1 137 . 1 1 27 27 ILE HG21 H 1 0.775 . . 4 . . . . 27 ILE HG21 . 16727 1 138 . 1 1 27 27 ILE HG22 H 1 0.775 . . 4 . . . . 27 ILE HG21 . 16727 1 139 . 1 1 27 27 ILE HG23 H 1 0.775 . . 4 . . . . 27 ILE HG21 . 16727 1 140 . 1 1 28 28 ASP H H 1 7.216 . . 1 . . . . 28 ASP HN . 16727 1 141 . 1 1 28 28 ASP HA H 1 4.848 . . 1 . . . . 28 ASP HA . 16727 1 142 . 1 1 28 28 ASP HB2 H 1 2.642 . . 2 . . . . 28 ASP HB1 . 16727 1 143 . 1 1 28 28 ASP HB3 H 1 2.589 . . 2 . . . . 28 ASP HB2 . 16727 1 144 . 1 1 29 29 LEU H H 1 8.845 . . 1 . . . . 29 LEU HN . 16727 1 145 . 1 1 29 29 LEU HA H 1 4.034 . . 1 . . . . 29 LEU HA . 16727 1 146 . 1 1 29 29 LEU HB2 H 1 2.095 . . 2 . . . . 29 LEU HB1 . 16727 1 147 . 1 1 29 29 LEU HB3 H 1 2.005 . . 2 . . . . 29 LEU HB2 . 16727 1 148 . 1 1 29 29 LEU HD11 H 1 0.984 . . 4 . . . . 29 LEU HD11 . 16727 1 149 . 1 1 29 29 LEU HD12 H 1 0.984 . . 4 . . . . 29 LEU HD11 . 16727 1 150 . 1 1 29 29 LEU HD13 H 1 0.984 . . 4 . . . . 29 LEU HD11 . 16727 1 151 . 1 1 29 29 LEU HG H 1 1.610 . . 1 . . . . 29 LEU HG . 16727 1 152 . 1 1 30 30 PRO HA H 1 4.158 . . 1 . . . . 30 PRO HA . 16727 1 153 . 1 1 30 30 PRO HB2 H 1 2.248 . . 2 . . . . 30 PRO HB1 . 16727 1 154 . 1 1 30 30 PRO HD2 H 1 3.758 . . 2 . . . . 30 PRO HD1 . 16727 1 155 . 1 1 30 30 PRO HG2 H 1 1.941 . . 2 . . . . 30 PRO HG1 . 16727 1 156 . 1 1 31 31 CYS H H 1 7.310 . . 1 . . . . 31 CYS HN . 16727 1 157 . 1 1 31 31 CYS HA H 1 4.172 . . 1 . . . . 31 CYS HA . 16727 1 158 . 1 1 31 31 CYS HB2 H 1 3.126 . . 2 . . . . 31 CYS HB1 . 16727 1 159 . 1 1 31 31 CYS HB3 H 1 3.078 . . 2 . . . . 31 CYS HB2 . 16727 1 160 . 1 1 32 32 VAL H H 1 8.591 . . 1 . . . . 32 VAL HN . 16727 1 161 . 1 1 32 32 VAL HA H 1 3.208 . . 1 . . . . 32 VAL HA . 16727 1 162 . 1 1 32 32 VAL HB H 1 1.531 . . 1 . . . . 32 VAL HB . 16727 1 163 . 1 1 32 32 VAL HG11 H 1 0.717 . . 4 . . . . 32 VAL HG11 . 16727 1 164 . 1 1 32 32 VAL HG12 H 1 0.717 . . 4 . . . . 32 VAL HG11 . 16727 1 165 . 1 1 32 32 VAL HG13 H 1 0.717 . . 4 . . . . 32 VAL HG11 . 16727 1 166 . 1 1 32 32 VAL HG21 H 1 -0.329 . . 4 . . . . 32 VAL HG21 . 16727 1 167 . 1 1 32 32 VAL HG22 H 1 -0.329 . . 4 . . . . 32 VAL HG21 . 16727 1 168 . 1 1 32 32 VAL HG23 H 1 -0.329 . . 4 . . . . 32 VAL HG21 . 16727 1 169 . 1 1 33 33 LEU H H 1 8.447 . . 1 . . . . 33 LEU HN . 16727 1 170 . 1 1 33 33 LEU HA H 1 3.707 . . 1 . . . . 33 LEU HA . 16727 1 171 . 1 1 33 33 LEU HB2 H 1 1.727 . . 2 . . . . 33 LEU HB1 . 16727 1 172 . 1 1 33 33 LEU HD11 H 1 0.923 . . 4 . . . . 33 LEU HD11 . 16727 1 173 . 1 1 33 33 LEU HD12 H 1 0.923 . . 4 . . . . 33 LEU HD11 . 16727 1 174 . 1 1 33 33 LEU HD13 H 1 0.923 . . 4 . . . . 33 LEU HD11 . 16727 1 175 . 1 1 33 33 LEU HD21 H 1 0.806 . . 4 . . . . 33 LEU HD21 . 16727 1 176 . 1 1 33 33 LEU HD22 H 1 0.806 . . 4 . . . . 33 LEU HD21 . 16727 1 177 . 1 1 33 33 LEU HD23 H 1 0.806 . . 4 . . . . 33 LEU HD21 . 16727 1 178 . 1 1 33 33 LEU HG H 1 1.330 . . 1 . . . . 33 LEU HG . 16727 1 179 . 1 1 34 34 ALA H H 1 7.540 . . 1 . . . . 34 ALA HN . 16727 1 180 . 1 1 34 34 ALA HA H 1 4.101 . . 1 . . . . 34 ALA HA . 16727 1 181 . 1 1 34 34 ALA HB1 H 1 1.486 . . 1 . . . . 34 ALA HB1 . 16727 1 182 . 1 1 34 34 ALA HB2 H 1 1.486 . . 1 . . . . 34 ALA HB1 . 16727 1 183 . 1 1 34 34 ALA HB3 H 1 1.486 . . 1 . . . . 34 ALA HB1 . 16727 1 184 . 1 1 35 35 ALA H H 1 7.796 . . 1 . . . . 35 ALA HN . 16727 1 185 . 1 1 35 35 ALA HA H 1 4.198 . . 1 . . . . 35 ALA HA . 16727 1 186 . 1 1 35 35 ALA HB1 H 1 1.502 . . 1 . . . . 35 ALA HB1 . 16727 1 187 . 1 1 35 35 ALA HB2 H 1 1.502 . . 1 . . . . 35 ALA HB1 . 16727 1 188 . 1 1 35 35 ALA HB3 H 1 1.502 . . 1 . . . . 35 ALA HB1 . 16727 1 189 . 1 1 36 36 LEU H H 1 7.850 . . 1 . . . . 36 LEU HN . 16727 1 190 . 1 1 36 36 LEU HA H 1 4.270 . . 1 . . . . 36 LEU HA . 16727 1 191 . 1 1 36 36 LEU HB2 H 1 1.740 . . 2 . . . . 36 LEU HB1 . 16727 1 192 . 1 1 36 36 LEU HB3 H 1 1.651 . . 2 . . . . 36 LEU HB2 . 16727 1 193 . 1 1 36 36 LEU HD11 H 1 0.567 . . 4 . . . . 36 LEU HD11 . 16727 1 194 . 1 1 36 36 LEU HD12 H 1 0.567 . . 4 . . . . 36 LEU HD11 . 16727 1 195 . 1 1 36 36 LEU HD13 H 1 0.567 . . 4 . . . . 36 LEU HD11 . 16727 1 196 . 1 1 36 36 LEU HD21 H 1 0.425 . . 4 . . . . 36 LEU HD21 . 16727 1 197 . 1 1 36 36 LEU HD22 H 1 0.425 . . 4 . . . . 36 LEU HD21 . 16727 1 198 . 1 1 36 36 LEU HD23 H 1 0.425 . . 4 . . . . 36 LEU HD21 . 16727 1 199 . 1 1 36 36 LEU HG H 1 1.562 . . 1 . . . . 36 LEU HG . 16727 1 200 . 1 1 37 37 LYS H H 1 7.336 . . 1 . . . . 37 LYS HN . 16727 1 201 . 1 1 37 37 LYS HA H 1 4.008 . . 1 . . . . 37 LYS HA . 16727 1 202 . 1 1 37 37 LYS HB2 H 1 1.934 . . 2 . . . . 37 LYS HB1 . 16727 1 203 . 1 1 37 37 LYS HB3 H 1 1.859 . . 2 . . . . 37 LYS HB2 . 16727 1 204 . 1 1 37 37 LYS HG2 H 1 1.596 . . 2 . . . . 37 LYS HG1 . 16727 1 205 . 1 1 38 38 ALA H H 1 7.863 . . 1 . . . . 38 ALA HN . 16727 1 206 . 1 1 38 38 ALA HA H 1 4.359 . . 1 . . . . 38 ALA HA . 16727 1 207 . 1 1 38 38 ALA HB1 H 1 1.414 . . 1 . . . . 38 ALA HB1 . 16727 1 208 . 1 1 38 38 ALA HB2 H 1 1.414 . . 1 . . . . 38 ALA HB1 . 16727 1 209 . 1 1 38 38 ALA HB3 H 1 1.414 . . 1 . . . . 38 ALA HB1 . 16727 1 210 . 1 1 39 39 ALA H H 1 7.862 . . 1 . . . . 39 ALA HN . 16727 1 211 . 1 1 39 39 ALA HA H 1 4.625 . . 1 . . . . 39 ALA HA . 16727 1 212 . 1 1 39 39 ALA HB1 H 1 1.228 . . 1 . . . . 39 ALA HB1 . 16727 1 213 . 1 1 39 39 ALA HB2 H 1 1.228 . . 1 . . . . 39 ALA HB1 . 16727 1 214 . 1 1 39 39 ALA HB3 H 1 1.228 . . 1 . . . . 39 ALA HB1 . 16727 1 215 . 1 1 40 40 GLU H H 1 8.105 . . 1 . . . . 40 GLU HN . 16727 1 216 . 1 1 40 40 GLU HA H 1 4.030 . . 1 . . . . 40 GLU HA . 16727 1 217 . 1 1 40 40 GLU HB2 H 1 2.030 . . 2 . . . . 40 GLU HB1 . 16727 1 218 . 1 1 40 40 GLU HG2 H 1 2.360 . . 2 . . . . 40 GLU HG1 . 16727 1 219 . 1 1 41 41 GLY H H 1 8.868 . . 1 . . . . 41 GLY HN . 16727 1 220 . 1 1 41 41 GLY HA2 H 1 4.177 . . 2 . . . . 41 GLY HA1 . 16727 1 221 . 1 1 41 41 GLY HA3 H 1 4.024 . . 2 . . . . 41 GLY HA2 . 16727 1 222 . 1 1 42 42 CYS H H 1 8.402 . . 1 . . . . 42 CYS HN . 16727 1 223 . 1 1 42 42 CYS HA H 1 4.827 . . 1 . . . . 42 CYS HA . 16727 1 224 . 1 1 42 42 CYS HB2 H 1 3.021 . . 2 . . . . 42 CYS HB1 . 16727 1 225 . 1 1 42 42 CYS HB3 H 1 2.950 . . 2 . . . . 42 CYS HB2 . 16727 1 226 . 1 1 43 43 ALA H H 1 9.090 . . 1 . . . . 43 ALA HN . 16727 1 227 . 1 1 43 43 ALA HA H 1 4.008 . . 1 . . . . 43 ALA HA . 16727 1 228 . 1 1 43 43 ALA HB1 H 1 1.560 . . 1 . . . . 43 ALA HB1 . 16727 1 229 . 1 1 43 43 ALA HB2 H 1 1.560 . . 1 . . . . 43 ALA HB1 . 16727 1 230 . 1 1 43 43 ALA HB3 H 1 1.560 . . 1 . . . . 43 ALA HB1 . 16727 1 231 . 1 1 44 44 SER H H 1 8.421 . . 1 . . . . 44 SER HN . 16727 1 232 . 1 1 44 44 SER HA H 1 4.320 . . 1 . . . . 44 SER HA . 16727 1 233 . 1 1 44 44 SER HB2 H 1 3.920 . . 2 . . . . 44 SER HB1 . 16727 1 234 . 1 1 45 45 CYS H H 1 7.166 . . 1 . . . . 45 CYS HN . 16727 1 235 . 1 1 45 45 CYS HA H 1 4.335 . . 1 . . . . 45 CYS HA . 16727 1 236 . 1 1 45 45 CYS HB2 H 1 3.155 . . 2 . . . . 45 CYS HB1 . 16727 1 237 . 1 1 46 46 PHE H H 1 8.084 . . 1 . . . . 46 PHE HN . 16727 1 238 . 1 1 46 46 PHE HA H 1 4.610 . . 1 . . . . 46 PHE HA . 16727 1 239 . 1 1 46 46 PHE HB2 H 1 2.988 . . 2 . . . . 46 PHE HB1 . 16727 1 240 . 1 1 46 46 PHE HD1 H 1 6.643 . . 3 . . . . 46 PHE HD1 . 16727 1 241 . 1 1 46 46 PHE HE1 H 1 7.215 . . 3 . . . . 46 PHE HE1 . 16727 1 242 . 1 1 46 46 PHE HZ H 1 6.948 . . 1 . . . . 46 PHE HZ . 16727 1 243 . 1 1 47 47 CYS H H 1 8.944 . . 1 . . . . 47 CYS HN . 16727 1 244 . 1 1 47 47 CYS HA H 1 4.213 . . 1 . . . . 47 CYS HA . 16727 1 245 . 1 1 47 47 CYS HB2 H 1 2.819 . . 2 . . . . 47 CYS HB1 . 16727 1 246 . 1 1 47 47 CYS HB3 H 1 2.602 . . 2 . . . . 47 CYS HB2 . 16727 1 247 . 1 1 48 48 GLU H H 1 7.982 . . 1 . . . . 48 GLU HN . 16727 1 248 . 1 1 48 48 GLU HA H 1 3.988 . . 1 . . . . 48 GLU HA . 16727 1 249 . 1 1 48 48 GLU HB2 H 1 2.138 . . 2 . . . . 48 GLU HB1 . 16727 1 250 . 1 1 48 48 GLU HG2 H 1 2.491 . . 2 . . . . 48 GLU HG1 . 16727 1 251 . 1 1 49 49 ASP H H 1 6.826 . . 1 . . . . 49 ASP HN . 16727 1 252 . 1 1 49 49 ASP HA H 1 4.627 . . 1 . . . . 49 ASP HA . 16727 1 253 . 1 1 49 49 ASP HB2 H 1 2.328 . . 2 . . . . 49 ASP HB1 . 16727 1 254 . 1 1 49 49 ASP HB3 H 1 2.249 . . 2 . . . . 49 ASP HB2 . 16727 1 255 . 1 1 50 50 HIS H H 1 7.297 . . 1 . . . . 50 HIS HN . 16727 1 256 . 1 1 50 50 HIS HA H 1 4.636 . . 1 . . . . 50 HIS HA . 16727 1 257 . 1 1 50 50 HIS HB2 H 1 2.865 . . 2 . . . . 50 HIS HB1 . 16727 1 258 . 1 1 50 50 HIS HB3 H 1 2.275 . . 2 . . . . 50 HIS HB2 . 16727 1 259 . 1 1 50 50 HIS HD1 H 1 6.549 . . 3 . . . . 50 HIS HD1 . 16727 1 260 . 1 1 50 50 HIS HE1 H 1 8.635 . . 3 . . . . 50 HIS HE1 . 16727 1 261 . 1 1 51 51 CYS H H 1 8.394 . . 1 . . . . 51 CYS HN . 16727 1 262 . 1 1 51 51 CYS HA H 1 4.509 . . 1 . . . . 51 CYS HA . 16727 1 263 . 1 1 51 51 CYS HB2 H 1 2.912 . . 2 . . . . 51 CYS HB1 . 16727 1 264 . 1 1 51 51 CYS HB3 H 1 2.888 . . 2 . . . . 51 CYS HB2 . 16727 1 265 . 1 1 52 52 HIS H H 1 8.321 . . 1 . . . . 52 HIS HN . 16727 1 266 . 1 1 52 52 HIS HA H 1 4.671 . . 1 . . . . 52 HIS HA . 16727 1 267 . 1 1 52 52 HIS HB2 H 1 3.422 . . 2 . . . . 52 HIS HB1 . 16727 1 268 . 1 1 52 52 HIS HB3 H 1 3.157 . . 2 . . . . 52 HIS HB2 . 16727 1 269 . 1 1 52 52 HIS HD1 H 1 7.086 . . 3 . . . . 52 HIS HD1 . 16727 1 270 . 1 1 52 52 HIS HE1 H 1 8.689 . . 3 . . . . 52 HIS HE1 . 16727 1 271 . 1 1 53 53 GLY H H 1 9.149 . . 1 . . . . 53 GLY HN . 16727 1 272 . 1 1 53 53 GLY HA2 H 1 4.077 . . 2 . . . . 53 GLY HA1 . 16727 1 273 . 1 1 53 53 GLY HA3 H 1 3.929 . . 2 . . . . 53 GLY HA2 . 16727 1 274 . 1 1 54 54 VAL H H 1 8.993 . . 1 . . . . 54 VAL HN . 16727 1 275 . 1 1 54 54 VAL HA H 1 4.053 . . 1 . . . . 54 VAL HA . 16727 1 276 . 1 1 54 54 VAL HB H 1 2.193 . . 1 . . . . 54 VAL HB . 16727 1 277 . 1 1 54 54 VAL HG11 H 1 1.055 . . 4 . . . . 54 VAL HG11 . 16727 1 278 . 1 1 54 54 VAL HG12 H 1 1.055 . . 4 . . . . 54 VAL HG11 . 16727 1 279 . 1 1 54 54 VAL HG13 H 1 1.055 . . 4 . . . . 54 VAL HG11 . 16727 1 280 . 1 1 55 55 CYS H H 1 7.249 . . 1 . . . . 55 CYS HN . 16727 1 281 . 1 1 55 55 CYS HA H 1 4.237 . . 1 . . . . 55 CYS HA . 16727 1 282 . 1 1 55 55 CYS HB2 H 1 3.400 . . 2 . . . . 55 CYS HB1 . 16727 1 283 . 1 1 55 55 CYS HB3 H 1 3.066 . . 2 . . . . 55 CYS HB2 . 16727 1 284 . 1 1 56 56 LYS H H 1 6.535 . . 1 . . . . 56 LYS HN . 16727 1 285 . 1 1 56 56 LYS HA H 1 4.108 . . 1 . . . . 56 LYS HA . 16727 1 286 . 1 1 56 56 LYS HB2 H 1 1.799 . . 2 . . . . 56 LYS HB1 . 16727 1 287 . 1 1 56 56 LYS HB3 H 1 1.390 . . 2 . . . . 56 LYS HB2 . 16727 1 288 . 1 1 56 56 LYS HG2 H 1 1.267 . . 2 . . . . 56 LYS HG1 . 16727 1 289 . 1 1 57 57 ASP H H 1 8.435 . . 1 . . . . 57 ASP HN . 16727 1 290 . 1 1 57 57 ASP HA H 1 4.153 . . 1 . . . . 57 ASP HA . 16727 1 291 . 1 1 57 57 ASP HB2 H 1 2.680 . . 2 . . . . 57 ASP HB1 . 16727 1 292 . 1 1 57 57 ASP HB3 H 1 2.553 . . 2 . . . . 57 ASP HB2 . 16727 1 293 . 1 1 58 58 LEU H H 1 7.690 . . 1 . . . . 58 LEU HN . 16727 1 294 . 1 1 58 58 LEU HA H 1 4.239 . . 1 . . . . 58 LEU HA . 16727 1 295 . 1 1 58 58 LEU HB2 H 1 1.797 . . 2 . . . . 58 LEU HB1 . 16727 1 296 . 1 1 58 58 LEU HB3 H 1 1.713 . . 2 . . . . 58 LEU HB2 . 16727 1 297 . 1 1 58 58 LEU HD11 H 1 0.806 . . 4 . . . . 58 LEU HD11 . 16727 1 298 . 1 1 58 58 LEU HD12 H 1 0.806 . . 4 . . . . 58 LEU HD11 . 16727 1 299 . 1 1 58 58 LEU HD13 H 1 0.806 . . 4 . . . . 58 LEU HD11 . 16727 1 300 . 1 1 58 58 LEU HG H 1 1.612 . . 1 . . . . 58 LEU HG . 16727 1 301 . 1 1 59 59 HIS H H 1 7.947 . . 1 . . . . 59 HIS HN . 16727 1 302 . 1 1 59 59 HIS HA H 1 4.392 . . 1 . . . . 59 HIS HA . 16727 1 303 . 1 1 59 59 HIS HB2 H 1 3.573 . . 2 . . . . 59 HIS HB1 . 16727 1 304 . 1 1 59 59 HIS HB3 H 1 3.423 . . 2 . . . . 59 HIS HB2 . 16727 1 305 . 1 1 59 59 HIS HD1 H 1 7.281 . . 3 . . . . 59 HIS HD1 . 16727 1 306 . 1 1 60 60 LEU H H 1 7.780 . . 1 . . . . 60 LEU HN . 16727 1 307 . 1 1 60 60 LEU HA H 1 4.348 . . 1 . . . . 60 LEU HA . 16727 1 308 . 1 1 60 60 LEU HB2 H 1 2.068 . . 2 . . . . 60 LEU HB1 . 16727 1 309 . 1 1 60 60 LEU HD11 H 1 0.974 . . 4 . . . . 60 LEU HD11 . 16727 1 310 . 1 1 60 60 LEU HD12 H 1 0.974 . . 4 . . . . 60 LEU HD11 . 16727 1 311 . 1 1 60 60 LEU HD13 H 1 0.974 . . 4 . . . . 60 LEU HD11 . 16727 1 312 . 1 1 60 60 LEU HD21 H 1 0.818 . . 4 . . . . 60 LEU HD21 . 16727 1 313 . 1 1 60 60 LEU HD22 H 1 0.818 . . 4 . . . . 60 LEU HD21 . 16727 1 314 . 1 1 60 60 LEU HD23 H 1 0.818 . . 4 . . . . 60 LEU HD21 . 16727 1 315 . 1 1 60 60 LEU HG H 1 1.294 . . 1 . . . . 60 LEU HG . 16727 1 316 . 1 1 61 61 CYS H H 1 7.654 . . 1 . . . . 61 CYS HN . 16727 1 317 . 1 1 61 61 CYS HA H 1 4.267 . . 1 . . . . 61 CYS HA . 16727 1 318 . 1 1 61 61 CYS HB2 H 1 3.118 . . 2 . . . . 61 CYS HB1 . 16727 1 319 . 1 1 61 61 CYS HB3 H 1 3.033 . . 2 . . . . 61 CYS HB2 . 16727 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 21 16727 1 1 22 16727 1 1 23 16727 1 1 24 16727 1 1 25 16727 1 1 26 16727 1 2 30 16727 1 2 31 16727 1 2 32 16727 1 2 33 16727 1 2 34 16727 1 2 35 16727 1 3 48 16727 1 3 49 16727 1 3 50 16727 1 3 51 16727 1 3 52 16727 1 3 53 16727 1 4 85 16727 1 4 86 16727 1 4 87 16727 1 5 103 16727 1 5 104 16727 1 5 105 16727 1 5 106 16727 1 5 107 16727 1 5 108 16727 1 6 137 16727 1 6 138 16727 1 6 139 16727 1 7 148 16727 1 7 149 16727 1 7 150 16727 1 8 163 16727 1 8 164 16727 1 8 165 16727 1 8 166 16727 1 8 167 16727 1 8 168 16727 1 9 172 16727 1 9 173 16727 1 9 174 16727 1 9 175 16727 1 9 176 16727 1 9 177 16727 1 10 193 16727 1 10 194 16727 1 10 195 16727 1 10 196 16727 1 10 197 16727 1 10 198 16727 1 11 277 16727 1 11 278 16727 1 11 279 16727 1 12 297 16727 1 12 298 16727 1 12 299 16727 1 13 309 16727 1 13 310 16727 1 13 311 16727 1 13 312 16727 1 13 313 16727 1 13 314 16727 1 stop_ save_