################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6808 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6808 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 SER HA H 1 4.17 0.02 . 1 . . . . 1 SER HA . 6808 1 2 . 1 1 1 1 SER HB2 H 1 4.00 0.02 . 1 . . . . 1 SER HB2 . 6808 1 3 . 1 1 1 1 SER HB3 H 1 4.00 0.02 . 1 . . . . 1 SER HB3 . 6808 1 4 . 1 1 1 1 SER CA C 13 57.30 0.02 . 1 . . . . 1 SER CA . 6808 1 5 . 1 1 1 1 SER CB C 13 63.40 0.02 . 1 . . . . 1 SER CB . 6808 1 6 . 1 1 2 2 ALA HA H 1 4.42 0.02 . 1 . . . . 2 ALA HA . 6808 1 7 . 1 1 2 2 ALA HB1 H 1 1.42 0.02 . 5 . . . . 2 ALA HB . 6808 1 8 . 1 1 2 2 ALA HB2 H 1 1.42 0.02 . 5 . . . . 2 ALA HB . 6808 1 9 . 1 1 2 2 ALA HB3 H 1 1.42 0.02 . 5 . . . . 2 ALA HB . 6808 1 10 . 1 1 2 2 ALA CA C 13 52.80 0.02 . 1 . . . . 2 ALA CA . 6808 1 11 . 1 1 3 3 ASP H H 1 8.31 0.02 . 1 . . . . 3 ASP H . 6808 1 12 . 1 1 3 3 ASP HA H 1 4.65 0.02 . 1 . . . . 3 ASP HA . 6808 1 13 . 1 1 3 3 ASP HB2 H 1 2.63 0.02 . 1 . . . . 3 ASP HB2 . 6808 1 14 . 1 1 3 3 ASP HB3 H 1 2.74 0.02 . 5 . . . . 3 ASP HB3 . 6808 1 15 . 1 1 4 4 VAL H H 1 8.08 0.02 . 5 . . . . 4 VAL H . 6808 1 16 . 1 1 4 4 VAL HA H 1 4.04 0.02 . 5 . . . . 4 VAL HA . 6808 1 17 . 1 1 4 4 VAL HB H 1 2.13 0.02 . 5 . . . . 4 VAL HB . 6808 1 18 . 1 1 4 4 VAL HG11 H 1 0.95 0.02 . 5 . . . . 4 VAL HG1 . 6808 1 19 . 1 1 4 4 VAL HG12 H 1 0.95 0.02 . 5 . . . . 4 VAL HG1 . 6808 1 20 . 1 1 4 4 VAL HG13 H 1 0.95 0.02 . 5 . . . . 4 VAL HG1 . 6808 1 21 . 1 1 4 4 VAL HG21 H 1 0.95 0.02 . 5 . . . . 4 VAL HG2 . 6808 1 22 . 1 1 4 4 VAL HG22 H 1 0.95 0.02 . 5 . . . . 4 VAL HG2 . 6808 1 23 . 1 1 4 4 VAL HG23 H 1 0.95 0.02 . 5 . . . . 4 VAL HG2 . 6808 1 24 . 1 1 5 5 ALA H H 1 8.33 0.02 . 1 . . . . 5 ALA H . 6808 1 25 . 1 1 5 5 ALA HA H 1 4.22 0.02 . 1 . . . . 5 ALA HA . 6808 1 26 . 1 1 5 5 ALA HB1 H 1 1.42 0.02 . 5 . . . . 5 ALA HB . 6808 1 27 . 1 1 5 5 ALA HB2 H 1 1.42 0.02 . 5 . . . . 5 ALA HB . 6808 1 28 . 1 1 5 5 ALA HB3 H 1 1.42 0.02 . 5 . . . . 5 ALA HB . 6808 1 29 . 1 1 5 5 ALA CA C 13 55.00 0.02 . 5 . . . . 5 ALA CA . 6808 1 30 . 1 1 6 6 GLY H H 1 8.21 0.02 . 1 . . . . 6 GLY H . 6808 1 31 . 1 1 6 6 GLY HA2 H 1 3.90 0.02 . 1 . . . . 6 GLY HA2 . 6808 1 32 . 1 1 6 6 GLY HA3 H 1 3.90 0.02 . 1 . . . . 6 GLY HA3 . 6808 1 33 . 1 1 7 7 ALA H H 1 7.95 0.02 . 1 . . . . 7 ALA H . 6808 1 34 . 1 1 7 7 ALA HA H 1 4.35 0.02 . 5 . . . . 7 ALA HA . 6808 1 35 . 1 1 7 7 ALA HB1 H 1 1.43 0.02 . 1 . . . . 7 ALA HB . 6808 1 36 . 1 1 7 7 ALA HB2 H 1 1.43 0.02 . 1 . . . . 7 ALA HB . 6808 1 37 . 1 1 7 7 ALA HB3 H 1 1.43 0.02 . 1 . . . . 7 ALA HB . 6808 1 38 . 1 1 7 7 ALA CA C 13 53.50 0.02 . 1 . . . . 7 ALA CA . 6808 1 39 . 1 1 8 8 VAL H H 1 8.03 0.02 . 5 . . . . 8 VAL H . 6808 1 40 . 1 1 8 8 VAL HA H 1 4.04 0.02 . 5 . . . . 8 VAL HA . 6808 1 41 . 1 1 8 8 VAL HB H 1 2.13 0.02 . 5 . . . . 8 VAL HB . 6808 1 42 . 1 1 8 8 VAL HG11 H 1 0.95 0.02 . 5 . . . . 8 VAL HG1 . 6808 1 43 . 1 1 8 8 VAL HG12 H 1 0.95 0.02 . 5 . . . . 8 VAL HG1 . 6808 1 44 . 1 1 8 8 VAL HG13 H 1 0.95 0.02 . 5 . . . . 8 VAL HG1 . 6808 1 45 . 1 1 8 8 VAL HG21 H 1 0.95 0.02 . 5 . . . . 8 VAL HG2 . 6808 1 46 . 1 1 8 8 VAL HG22 H 1 0.95 0.02 . 5 . . . . 8 VAL HG2 . 6808 1 47 . 1 1 8 8 VAL HG23 H 1 0.95 0.02 . 5 . . . . 8 VAL HG2 . 6808 1 48 . 1 1 8 8 VAL CA C 13 62.30 0.02 . 1 . . . . 8 VAL CA . 6808 1 49 . 1 1 8 8 VAL CB C 13 32.82 0.02 . 5 . . . . 8 VAL CB . 6808 1 50 . 1 1 9 9 ILE H H 1 8.00 0.02 . 1 . . . . 9 ILE H . 6808 1 51 . 1 1 9 9 ILE HA H 1 4.13 0.02 . 1 . . . . 9 ILE HA . 6808 1 52 . 1 1 9 9 ILE HB H 1 1.90 0.02 . 1 . . . . 9 ILE HB . 6808 1 53 . 1 1 9 9 ILE HG12 H 1 1.54 0.02 . 1 . . . . 9 ILE HG12 . 6808 1 54 . 1 1 9 9 ILE HG13 H 1 1.19 0.02 . 1 . . . . 9 ILE HG13 . 6808 1 55 . 1 1 9 9 ILE HG21 H 1 0.92 0.02 . 1 . . . . 9 ILE HG2 . 6808 1 56 . 1 1 9 9 ILE HG22 H 1 0.92 0.02 . 1 . . . . 9 ILE HG2 . 6808 1 57 . 1 1 9 9 ILE HG23 H 1 0.92 0.02 . 1 . . . . 9 ILE HG2 . 6808 1 58 . 1 1 9 9 ILE HD11 H 1 0.84 0.02 . 1 . . . . 9 ILE HD1 . 6808 1 59 . 1 1 9 9 ILE HD12 H 1 0.84 0.02 . 1 . . . . 9 ILE HD1 . 6808 1 60 . 1 1 9 9 ILE HD13 H 1 0.84 0.02 . 1 . . . . 9 ILE HD1 . 6808 1 61 . 1 1 10 10 ASP H H 1 8.26 0.02 . 1 . . . . 10 ASP H . 6808 1 62 . 1 1 10 10 ASP HA H 1 4.60 0.02 . 1 . . . . 10 ASP HA . 6808 1 63 . 1 1 10 10 ASP HB2 H 1 2.73 0.02 . 1 . . . . 10 ASP HB2 . 6808 1 64 . 1 1 10 10 ASP HB3 H 1 2.73 0.02 . 1 . . . . 10 ASP HB3 . 6808 1 65 . 1 1 11 11 GLY H H 1 8.41 0.02 . 1 . . . . 11 GLY H . 6808 1 66 . 1 1 11 11 GLY HA2 H 1 3.88 0.02 . 1 . . . . 11 GLY HA2 . 6808 1 67 . 1 1 11 11 GLY HA3 H 1 3.88 0.02 . 1 . . . . 11 GLY HA3 . 6808 1 68 . 1 1 12 12 ALA H H 1 8.14 0.02 . 5 . . . . 12 ALA H . 6808 1 69 . 1 1 12 12 ALA HA H 1 4.31 0.02 . 1 . . . . 12 ALA HA . 6808 1 70 . 1 1 12 12 ALA HB1 H 1 1.45 0.02 . 5 . . . . 12 ALA HB . 6808 1 71 . 1 1 12 12 ALA HB2 H 1 1.45 0.02 . 5 . . . . 12 ALA HB . 6808 1 72 . 1 1 12 12 ALA HB3 H 1 1.45 0.02 . 5 . . . . 12 ALA HB . 6808 1 73 . 1 1 13 13 SER H H 1 8.09 0.02 . 1 . . . . 13 SER H . 6808 1 74 . 1 1 13 13 SER HA H 1 4.43 0.02 . 5 . . . . 13 SER HA . 6808 1 75 . 1 1 13 13 SER HB2 H 1 3.93 0.02 . 1 . . . . 13 SER HB2 . 6808 1 76 . 1 1 13 13 SER HB3 H 1 3.93 0.02 . 1 . . . . 13 SER HB3 . 6808 1 77 . 1 1 13 13 SER CB C 13 63.90 0.02 . 1 . . . . 13 SER CB . 6808 1 78 . 1 1 14 14 LEU H H 1 8.06 0.02 . 1 . . . . 14 LEU H . 6808 1 79 . 1 1 14 14 LEU HA H 1 4.35 0.02 . 5 . . . . 14 LEU HA . 6808 1 80 . 1 1 14 14 LEU HB2 H 1 2.00 0.02 . 1 . . . . 14 LEU HB2 . 6808 1 81 . 1 1 14 14 LEU HB3 H 1 2.00 0.02 . 1 . . . . 14 LEU HB3 . 6808 1 82 . 1 1 14 14 LEU HG H 1 1.56 0.02 . 5 . . . . 14 LEU HG . 6808 1 83 . 1 1 14 14 LEU HD11 H 1 0.94 0.02 . 5 . . . . 14 LEU HD1 . 6808 1 84 . 1 1 14 14 LEU HD12 H 1 0.94 0.02 . 5 . . . . 14 LEU HD1 . 6808 1 85 . 1 1 14 14 LEU HD13 H 1 0.94 0.02 . 5 . . . . 14 LEU HD1 . 6808 1 86 . 1 1 14 14 LEU HD21 H 1 0.94 0.02 . 5 . . . . 14 LEU HD2 . 6808 1 87 . 1 1 14 14 LEU HD22 H 1 0.94 0.02 . 5 . . . . 14 LEU HD2 . 6808 1 88 . 1 1 14 14 LEU HD23 H 1 0.94 0.02 . 5 . . . . 14 LEU HD2 . 6808 1 89 . 1 1 14 14 LEU CA C 13 56.40 0.02 . 1 . . . . 14 LEU CA . 6808 1 90 . 1 1 14 14 LEU CB C 13 41.7 0.02 . 1 . . . . 14 LEU CB . 6808 1 91 . 1 1 15 15 SER H H 1 7.72 0.02 . 1 . . . . 15 SER H . 6808 1 92 . 1 1 15 15 SER HA H 1 4.48 0.02 . 1 . . . . 15 SER HA . 6808 1 93 . 1 1 15 15 SER HB2 H 1 3.84 0.02 . 1 . . . . 15 SER HB2 . 6808 1 94 . 1 1 15 15 SER HB3 H 1 3.84 0.02 . 1 . . . . 15 SER HB3 . 6808 1 95 . 1 1 15 15 SER CB C 13 64.50 0.02 . 1 . . . . 15 SER CB . 6808 1 96 . 1 1 16 16 PHE H H 1 8.65 0.02 . 1 . . . . 16 PHE H . 6808 1 97 . 1 1 16 16 PHE HA H 1 4.38 0.02 . 5 . . . . 16 PHE HA . 6808 1 98 . 1 1 16 16 PHE HB2 H 1 3.22 0.02 . 5 . . . . 16 PHE HB2 . 6808 1 99 . 1 1 16 16 PHE HB3 H 1 3.22 0.02 . 5 . . . . 16 PHE HB3 . 6808 1 100 . 1 1 16 16 PHE HD1 H 1 7.32 0.02 . 4 . . . . 16 PHE HD1 . 6808 1 101 . 1 1 16 16 PHE HD2 H 1 7.32 0.02 . 4 . . . . 16 PHE HD2 . 6808 1 102 . 1 1 16 16 PHE HE1 H 1 7.32 0.02 . 4 . . . . 16 PHE HE1 . 6808 1 103 . 1 1 16 16 PHE HE2 H 1 7.32 0.02 . 4 . . . . 16 PHE HE2 . 6808 1 104 . 1 1 16 16 PHE HZ H 1 7.32 0.02 . 4 . . . . 16 PHE HZ . 6808 1 105 . 1 1 16 16 PHE CA C 13 59.70 0.02 . 1 . . . . 16 PHE CA . 6808 1 106 . 1 1 16 16 PHE CB C 13 39.30 0.02 . 1 . . . . 16 PHE CB . 6808 1 107 . 1 1 17 17 ASP H H 1 8.36 0.02 . 1 . . . . 17 ASP H . 6808 1 108 . 1 1 17 17 ASP HA H 1 4.43 0.02 . 5 . . . . 17 ASP HA . 6808 1 109 . 1 1 17 17 ASP HB2 H 1 2.74 0.02 . 5 . . . . 17 ASP HB2 . 6808 1 110 . 1 1 17 17 ASP HB3 H 1 2.74 0.02 . 5 . . . . 17 ASP HB3 . 6808 1 111 . 1 1 17 17 ASP CA C 13 54.60 0.02 . 1 . . . . 17 ASP CA . 6808 1 112 . 1 1 18 18 ILE H H 1 8.04 0.02 . 5 . . . . 18 ILE H . 6808 1 113 . 1 1 18 18 ILE HA H 1 3.91 0.02 . 1 . . . . 18 ILE HA . 6808 1 114 . 1 1 18 18 ILE HB H 1 2.01 0.02 . 1 . . . . 18 ILE HB . 6808 1 115 . 1 1 18 18 ILE HG12 H 1 1.71 0.02 . 5 . . . . 18 ILE HG12 . 6808 1 116 . 1 1 18 18 ILE HG13 H 1 1.28 0.02 . 5 . . . . 18 ILE HG13 . 6808 1 117 . 1 1 18 18 ILE HG21 H 1 0.95 0.02 . 5 . . . . 18 ILE HG2 . 6808 1 118 . 1 1 18 18 ILE HG22 H 1 0.95 0.02 . 5 . . . . 18 ILE HG2 . 6808 1 119 . 1 1 18 18 ILE HG23 H 1 0.95 0.02 . 5 . . . . 18 ILE HG2 . 6808 1 120 . 1 1 18 18 ILE HD11 H 1 0.78 0.02 . 1 . . . . 18 ILE HD1 . 6808 1 121 . 1 1 18 18 ILE HD12 H 1 0.78 0.02 . 1 . . . . 18 ILE HD1 . 6808 1 122 . 1 1 18 18 ILE HD13 H 1 0.78 0.02 . 1 . . . . 18 ILE HD1 . 6808 1 123 . 1 1 18 18 ILE CB C 13 38.30 0.02 . 1 . . . . 18 ILE CB . 6808 1 124 . 1 1 19 19 LEU H H 1 7.81 0.02 . 5 . . . . 19 LEU H . 6808 1 125 . 1 1 19 19 LEU HA H 1 3.95 0.02 . 5 . . . . 19 LEU HA . 6808 1 126 . 1 1 19 19 LEU HB2 H 1 1.75 0.02 . 5 . . . . 19 LEU HB2 . 6808 1 127 . 1 1 19 19 LEU HB3 H 1 1.75 0.02 . 9 . . . . 19 LEU HB3 . 6808 1 128 . 1 1 19 19 LEU HG H 1 1.75 0.02 . 5 . . . . 19 LEU HG . 6808 1 129 . 1 1 19 19 LEU HD11 H 1 0.91 0.02 . 1 . . . . 19 LEU HD1 . 6808 1 130 . 1 1 19 19 LEU HD12 H 1 0.91 0.02 . 1 . . . . 19 LEU HD1 . 6808 1 131 . 1 1 19 19 LEU HD13 H 1 0.91 0.02 . 1 . . . . 19 LEU HD1 . 6808 1 132 . 1 1 19 19 LEU HD21 H 1 0.94 0.02 . 5 . . . . 19 LEU HD2 . 6808 1 133 . 1 1 19 19 LEU HD22 H 1 0.94 0.02 . 5 . . . . 19 LEU HD2 . 6808 1 134 . 1 1 19 19 LEU HD23 H 1 0.94 0.02 . 5 . . . . 19 LEU HD2 . 6808 1 135 . 1 1 19 19 LEU CB C 13 42.00 0.02 . 1 . . . . 19 LEU CB . 6808 1 136 . 1 1 20 20 LYS H H 1 8.14 0.02 . 5 . . . . 20 LYS H . 6808 1 137 . 1 1 20 20 LYS HA H 1 3.85 0.02 . 1 . . . . 20 LYS HA . 6808 1 138 . 1 1 20 20 LYS HB2 H 1 1.88 0.02 . 5 . . . . 20 LYS HB2 . 6808 1 139 . 1 1 20 20 LYS HB3 H 1 1.84 0.02 . 1 . . . . 20 LYS HB3 . 6808 1 140 . 1 1 20 20 LYS HG2 H 1 1.47 0.02 . 1 . . . . 20 LYS HG2 . 6808 1 141 . 1 1 20 20 LYS HG3 H 1 1.38 0.02 . 1 . . . . 20 LYS HG3 . 6808 1 142 . 1 1 20 20 LYS HD2 H 1 1.72 0.02 . 1 . . . . 20 LYS HD2 . 6808 1 143 . 1 1 20 20 LYS HD3 H 1 1.72 0.02 . 1 . . . . 20 LYS HD3 . 6808 1 144 . 1 1 20 20 LYS HE2 H 1 2.74 0.02 . 5 . . . . 20 LYS HE2 . 6808 1 145 . 1 1 20 20 LYS HE3 H 1 2.74 0.02 . 5 . . . . 20 LYS HE3 . 6808 1 146 . 1 1 20 20 LYS CA C 13 60.60 0.02 . 1 . . . . 20 LYS CA . 6808 1 147 . 1 1 21 21 THR H H 1 7.73 0.02 . 1 . . . . 21 THR H . 6808 1 148 . 1 1 21 21 THR HA H 1 3.99 0.02 . 1 . . . . 21 THR HA . 6808 1 149 . 1 1 21 21 THR HB H 1 4.36 0.02 . 1 . . . . 21 THR HB . 6808 1 150 . 1 1 21 21 THR HG21 H 1 1.28 0.02 . 5 . . . . 21 THR HG2 . 6808 1 151 . 1 1 21 21 THR HG22 H 1 1.28 0.02 . 5 . . . . 21 THR HG2 . 6808 1 152 . 1 1 21 21 THR HG23 H 1 1.28 0.02 . 5 . . . . 21 THR HG2 . 6808 1 153 . 1 1 21 21 THR CB C 13 68.90 0.02 . 1 . . . . 21 THR CB . 6808 1 154 . 1 1 22 22 VAL H H 1 8.07 0.02 . 1 . . . . 22 VAL H . 6808 1 155 . 1 1 22 22 VAL HA H 1 3.62 0.02 . 1 . . . . 22 VAL HA . 6808 1 156 . 1 1 22 22 VAL HB H 1 2.28 0.02 . 1 . . . . 22 VAL HB . 6808 1 157 . 1 1 22 22 VAL HG11 H 1 0.93 0.02 . 1 . . . . 22 VAL HG1 . 6808 1 158 . 1 1 22 22 VAL HG12 H 1 0.93 0.02 . 1 . . . . 22 VAL HG1 . 6808 1 159 . 1 1 22 22 VAL HG13 H 1 0.93 0.02 . 1 . . . . 22 VAL HG1 . 6808 1 160 . 1 1 22 22 VAL HG21 H 1 1.07 0.02 . 1 . . . . 22 VAL HG2 . 6808 1 161 . 1 1 22 22 VAL HG22 H 1 1.07 0.02 . 1 . . . . 22 VAL HG2 . 6808 1 162 . 1 1 22 22 VAL HG23 H 1 1.07 0.02 . 1 . . . . 22 VAL HG2 . 6808 1 163 . 1 1 22 22 VAL CA C 13 67.20 0.02 . 1 . . . . 22 VAL CA . 6808 1 164 . 1 1 22 22 VAL CB C 13 31.90 0.02 . 1 . . . . 22 VAL CB . 6808 1 165 . 1 1 23 23 LEU H H 1 8.28 0.02 . 1 . . . . 23 LEU H . 6808 1 166 . 1 1 23 23 LEU HA H 1 4.01 0.02 . 1 . . . . 23 LEU HA . 6808 1 167 . 1 1 23 23 LEU HB2 H 1 1.88 0.02 . 5 . . . . 23 LEU HB2 . 6808 1 168 . 1 1 23 23 LEU HB3 H 1 1.88 0.02 . 5 . . . . 23 LEU HB3 . 6808 1 169 . 1 1 23 23 LEU HG H 1 1.58 0.02 . 1 . . . . 23 LEU HG . 6808 1 170 . 1 1 23 23 LEU HD11 H 1 0.90 0.02 . 2 . . . . 23 LEU HD1 . 6808 1 171 . 1 1 23 23 LEU HD12 H 1 0.90 0.02 . 2 . . . . 23 LEU HD1 . 6808 1 172 . 1 1 23 23 LEU HD13 H 1 0.90 0.02 . 2 . . . . 23 LEU HD1 . 6808 1 173 . 1 1 23 23 LEU HD21 H 1 0.90 0.02 . 2 . . . . 23 LEU HD2 . 6808 1 174 . 1 1 23 23 LEU HD22 H 1 0.90 0.02 . 2 . . . . 23 LEU HD2 . 6808 1 175 . 1 1 23 23 LEU HD23 H 1 0.90 0.02 . 2 . . . . 23 LEU HD2 . 6808 1 176 . 1 1 23 23 LEU CA C 13 58.60 0.02 . 1 . . . . 23 LEU CA . 6808 1 177 . 1 1 24 24 GLU H H 1 8.18 0.02 . 1 . . . . 24 GLU H . 6808 1 178 . 1 1 24 24 GLU HA H 1 4.02 0.02 . 1 . . . . 24 GLU HA . 6808 1 179 . 1 1 24 24 GLU HB2 H 1 2.20 0.02 . 1 . . . . 24 GLU HB2 . 6808 1 180 . 1 1 24 24 GLU HB3 H 1 2.10 0.02 . 1 . . . . 24 GLU HB3 . 6808 1 181 . 1 1 24 24 GLU HG2 H 1 2.29 0.02 . 1 . . . . 24 GLU HG2 . 6808 1 182 . 1 1 24 24 GLU HG3 H 1 2.51 0.02 . 1 . . . . 24 GLU HG3 . 6808 1 183 . 1 1 24 24 GLU CA C 13 59.00 0.02 . 1 . . . . 24 GLU CA . 6808 1 184 . 1 1 25 25 ALA H H 1 7.86 0.02 . 1 . . . . 25 ALA H . 6808 1 185 . 1 1 25 25 ALA HA H 1 4.24 0.02 . 1 . . . . 25 ALA HA . 6808 1 186 . 1 1 25 25 ALA HB1 H 1 1.56 0.02 . 5 . . . . 25 ALA HB . 6808 1 187 . 1 1 25 25 ALA HB2 H 1 1.56 0.02 . 5 . . . . 25 ALA HB . 6808 1 188 . 1 1 25 25 ALA HB3 H 1 1.56 0.02 . 5 . . . . 25 ALA HB . 6808 1 189 . 1 1 25 25 ALA CA C 13 55.00 0.02 . 5 . . . . 25 ALA CA . 6808 1 190 . 1 1 25 25 ALA CB C 13 18.80 0.02 . 1 . . . . 25 ALA CB . 6808 1 191 . 1 1 26 26 LEU H H 1 8.08 0.02 . 5 . . . . 26 LEU H . 6808 1 192 . 1 1 26 26 LEU HA H 1 4.15 0.02 . 5 . . . . 26 LEU HA . 6808 1 193 . 1 1 26 26 LEU HB2 H 1 1.94 0.02 . 1 . . . . 26 LEU HB2 . 6808 1 194 . 1 1 26 26 LEU HB3 H 1 1.88 0.02 . 5 . . . . 26 LEU HB3 . 6808 1 195 . 1 1 26 26 LEU HG H 1 1.60 0.02 . 1 . . . . 26 LEU HG . 6808 1 196 . 1 1 26 26 LEU HD11 H 1 1.05 0.02 . 1 . . . . 26 LEU HD1 . 6808 1 197 . 1 1 26 26 LEU HD12 H 1 1.05 0.02 . 1 . . . . 26 LEU HD1 . 6808 1 198 . 1 1 26 26 LEU HD13 H 1 1.05 0.02 . 1 . . . . 26 LEU HD1 . 6808 1 199 . 1 1 26 26 LEU HD21 H 1 0.89 0.02 . 1 . . . . 26 LEU HD2 . 6808 1 200 . 1 1 26 26 LEU HD22 H 1 0.89 0.02 . 1 . . . . 26 LEU HD2 . 6808 1 201 . 1 1 26 26 LEU HD23 H 1 0.89 0.02 . 1 . . . . 26 LEU HD2 . 6808 1 202 . 1 1 27 27 GLY H H 1 7.96 0.02 . 1 . . . . 27 GLY H . 6808 1 203 . 1 1 27 27 GLY HA2 H 1 3.95 0.02 . 5 . . . . 27 GLY HA2 . 6808 1 204 . 1 1 27 27 GLY HA3 H 1 3.89 0.02 . 1 . . . . 27 GLY HA3 . 6808 1 205 . 1 1 28 28 ASN H H 1 7.80 0.02 . 1 . . . . 28 ASN H . 6808 1 206 . 1 1 28 28 ASN HA H 1 4.77 0.02 . 1 . . . . 28 ASN HA . 6808 1 207 . 1 1 28 28 ASN HB2 H 1 2.93 0.02 . 1 . . . . 28 ASN HB2 . 6808 1 208 . 1 1 28 28 ASN HB3 H 1 2.81 0.02 . 1 . . . . 28 ASN HB3 . 6808 1 209 . 1 1 28 28 ASN HD21 H 1 7.59 0.02 . 1 . . . . 28 ASN HD21 . 6808 1 210 . 1 1 28 28 ASN HD22 H 1 6.91 0.02 . 1 . . . . 28 ASN HD22 . 6808 1 211 . 1 1 28 28 ASN CA C 13 54.10 0.02 . 1 . . . . 28 ASN CA . 6808 1 212 . 1 1 29 29 VAL H H 1 7.66 0.02 . 1 . . . . 29 VAL H . 6808 1 213 . 1 1 29 29 VAL HA H 1 4.04 0.02 . 5 . . . . 29 VAL HA . 6808 1 214 . 1 1 29 29 VAL HB H 1 2.21 0.02 . 1 . . . . 29 VAL HB . 6808 1 215 . 1 1 29 29 VAL HG11 H 1 0.98 0.02 . 1 . . . . 29 VAL HG1 . 6808 1 216 . 1 1 29 29 VAL HG12 H 1 0.98 0.02 . 1 . . . . 29 VAL HG1 . 6808 1 217 . 1 1 29 29 VAL HG13 H 1 0.98 0.02 . 1 . . . . 29 VAL HG1 . 6808 1 218 . 1 1 29 29 VAL HG21 H 1 1.06 0.02 . 1 . . . . 29 VAL HG2 . 6808 1 219 . 1 1 29 29 VAL HG22 H 1 1.06 0.02 . 1 . . . . 29 VAL HG2 . 6808 1 220 . 1 1 29 29 VAL HG23 H 1 1.06 0.02 . 1 . . . . 29 VAL HG2 . 6808 1 221 . 1 1 29 29 VAL CB C 13 32.5 0.02 . 1 . . . . 29 VAL CB . 6808 1 222 . 1 1 30 30 LYS H H 1 8.04 0.02 . 5 . . . . 30 LYS H . 6808 1 223 . 1 1 30 30 LYS HA H 1 4.38 0.02 . 5 . . . . 30 LYS HA . 6808 1 224 . 1 1 30 30 LYS HB2 H 1 1.78 0.02 . 1 . . . . 30 LYS HB2 . 6808 1 225 . 1 1 30 30 LYS HB3 H 1 1.88 0.02 . 5 . . . . 30 LYS HB3 . 6808 1 226 . 1 1 30 30 LYS HG2 H 1 1.46 0.02 . 1 . . . . 30 LYS HG2 . 6808 1 227 . 1 1 30 30 LYS HG3 H 1 1.46 0.02 . 1 . . . . 30 LYS HG3 . 6808 1 228 . 1 1 30 30 LYS HD2 H 1 1.71 0.02 . 5 . . . . 30 LYS HD2 . 6808 1 229 . 1 1 30 30 LYS HD3 H 1 1.71 0.02 . 5 . . . . 30 LYS HD3 . 6808 1 230 . 1 1 30 30 LYS HE2 H 1 2.74 0.02 . 5 . . . . 30 LYS HE2 . 6808 1 231 . 1 1 30 30 LYS HE3 H 1 2.74 0.02 . 5 . . . . 30 LYS HE3 . 6808 1 232 . 1 1 30 30 LYS CA C 13 57.20 0.02 . 1 . . . . 30 LYS CA . 6808 1 233 . 1 1 30 30 LYS CB C 13 33.30 0.02 . 1 . . . . 30 LYS CB . 6808 1 234 . 1 1 31 31 ARG H H 1 8.19 0.02 . 1 . . . . 31 ARG H . 6808 1 235 . 1 1 31 31 ARG HA H 1 4.34 0.02 . 1 . . . . 31 ARG HA . 6808 1 236 . 1 1 31 31 ARG HB2 H 1 1.80 0.02 . 1 . . . . 31 ARG HB2 . 6808 1 237 . 1 1 31 31 ARG HB3 H 1 1.90 0.02 . 1 . . . . 31 ARG HB3 . 6808 1 238 . 1 1 31 31 ARG HG2 H 1 1.70 0.02 . 5 . . . . 31 ARG HG2 . 6808 1 239 . 1 1 31 31 ARG HG3 H 1 1.70 0.02 . 5 . . . . 31 ARG HG3 . 6808 1 240 . 1 1 31 31 ARG HD2 H 1 3.22 0.02 . 5 . . . . 31 ARG HD2 . 6808 1 241 . 1 1 31 31 ARG HD3 H 1 3.22 0.02 . 5 . . . . 31 ARG HD3 . 6808 1 242 . 1 1 31 31 ARG HE H 1 7.32 0.02 . 1 . . . . 31 ARG HE . 6808 1 243 . 1 1 31 31 ARG CA C 13 56.50 0.02 . 1 . . . . 31 ARG CA . 6808 1 244 . 1 1 31 31 ARG CB C 13 31.30 0.02 . 1 . . . . 31 ARG CB . 6808 1 245 . 1 1 32 32 LYS H H 1 7.81 0.02 . 5 . . . . 32 LYS H . 6808 1 246 . 1 1 32 32 LYS HA H 1 4.15 0.02 . 5 . . . . 32 LYS HA . 6808 1 247 . 1 1 32 32 LYS HB2 H 1 1.75 0.02 . 5 . . . . 32 LYS HB2 . 6808 1 248 . 1 1 32 32 LYS HB3 H 1 1.82 0.02 . 1 . . . . 32 LYS HB3 . 6808 1 249 . 1 1 32 32 LYS HG2 H 1 1.45 0.02 . 5 . . . . 32 LYS HG2 . 6808 1 250 . 1 1 32 32 LYS HG3 H 1 1.45 0.02 . 5 . . . . 32 LYS HG3 . 6808 1 251 . 1 1 32 32 LYS HD2 H 1 1.70 0.02 . 5 . . . . 32 LYS HD2 . 6808 1 252 . 1 1 32 32 LYS HD3 H 1 1.70 0.02 . 5 . . . . 32 LYS HD3 . 6808 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 7 6808 1 1 8 6808 1 1 9 6808 1 1 26 6808 1 1 27 6808 1 1 28 6808 1 1 70 6808 1 1 71 6808 1 1 72 6808 1 2 82 6808 1 2 115 6808 1 2 116 6808 1 3 14 6808 1 3 17 6808 1 3 41 6808 1 3 109 6808 1 3 110 6808 1 4 15 6808 1 4 39 6808 1 4 68 6808 1 4 112 6808 1 4 124 6808 1 4 136 6808 1 4 191 6808 1 4 222 6808 1 4 245 6808 1 5 16 6808 1 5 34 6808 1 5 40 6808 1 5 74 6808 1 5 79 6808 1 5 97 6808 1 5 108 6808 1 5 125 6808 1 5 192 6808 1 5 213 6808 1 5 223 6808 1 5 246 6808 1 6 18 6808 1 6 19 6808 1 6 20 6808 1 6 21 6808 1 6 22 6808 1 6 23 6808 1 6 42 6808 1 6 43 6808 1 6 44 6808 1 6 45 6808 1 6 46 6808 1 6 47 6808 1 6 83 6808 1 6 84 6808 1 6 85 6808 1 6 86 6808 1 6 87 6808 1 6 88 6808 1 6 117 6808 1 6 118 6808 1 6 119 6808 1 6 132 6808 1 6 133 6808 1 6 134 6808 1 7 29 6808 1 7 189 6808 1 8 98 6808 1 8 99 6808 1 8 240 6808 1 8 241 6808 1 9 100 6808 1 9 101 6808 1 9 102 6808 1 9 103 6808 1 9 104 6808 1 10 144 6808 1 10 145 6808 1 10 230 6808 1 10 231 6808 1 11 126 6808 1 11 128 6808 1 11 138 6808 1 11 150 6808 1 11 151 6808 1 11 152 6808 1 11 167 6808 1 11 168 6808 1 11 186 6808 1 11 187 6808 1 11 188 6808 1 11 194 6808 1 11 203 6808 1 11 225 6808 1 11 228 6808 1 11 229 6808 1 11 238 6808 1 11 239 6808 1 11 247 6808 1 11 249 6808 1 11 250 6808 1 11 251 6808 1 11 252 6808 1 12 49 6808 1 stop_ save_