################################### # 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 7245 _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 7245 1 . . 2 $sample_2 isotropic 7245 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 HIS HA H 1 4.38 0.05 . 1 . . . . 1 H HA . 7245 1 2 . 1 1 1 1 HIS HB2 H 1 3.45 0.05 . 1 . . . . 1 H HB2 . 7245 1 3 . 1 1 1 1 HIS HB3 H 1 3.34 0.05 . 1 . . . . 1 H HB3 . 7245 1 4 . 1 1 1 1 HIS HD2 H 1 7.42 0.05 . 1 . . . . 1 H HD2 . 7245 1 5 . 1 1 1 1 HIS HE1 H 1 8.59 0.05 . 1 . . . . 1 H HE1 . 7245 1 6 . 1 1 1 1 HIS CA C 13 56.2 0.6 . 1 . . . . 1 H CA . 7245 1 7 . 1 1 1 1 HIS CB C 13 29.3 0.5 . 1 . . . . 1 H CB . 7245 1 8 . 1 1 1 1 HIS CD2 C 13 120.4 0.5 . 1 . . . . 1 H CD2 . 7245 1 9 . 1 1 1 1 HIS CE1 C 13 137.3 0.5 . 1 . . . . 1 H CE1 . 7245 1 10 . 1 1 2 2 ILE H H 1 8.19 0.05 . 1 . . . . 2 I H . 7245 1 11 . 1 1 2 2 ILE HA H 1 4.10 0.05 . 1 . . . . 2 I HA . 7245 1 12 . 1 1 2 2 ILE HB H 1 1.98 0.05 . 1 . . . . 2 I HB . 7245 1 13 . 1 1 2 2 ILE HG12 H 1 1.56 0.05 . 1 . . . . 2 I HG12 . 7245 1 14 . 1 1 2 2 ILE HG13 H 1 1.30 0.05 . 1 . . . . 2 I HG13 . 7245 1 15 . 1 1 2 2 ILE HG21 H 1 0.96 0.05 . 5 . . . . 2 I HG2 . 7245 1 16 . 1 1 2 2 ILE HG22 H 1 0.96 0.05 . 5 . . . . 2 I HG2 . 7245 1 17 . 1 1 2 2 ILE HG23 H 1 0.96 0.05 . 5 . . . . 2 I HG2 . 7245 1 18 . 1 1 2 2 ILE HD11 H 1 0.91 0.05 . 5 . . . . 2 I HD1 . 7245 1 19 . 1 1 2 2 ILE HD12 H 1 0.91 0.05 . 5 . . . . 2 I HD1 . 7245 1 20 . 1 1 2 2 ILE HD13 H 1 0.91 0.05 . 5 . . . . 2 I HD1 . 7245 1 21 . 1 1 2 2 ILE CA C 13 62.2 0.2 . 1 . . . . 2 I CA . 7245 1 22 . 1 1 2 2 ILE CB C 13 37.9 0.5 . 1 . . . . 2 I CB . 7245 1 23 . 1 1 2 2 ILE CG1 C 13 27.8 0.5 . 1 . . . . 2 I CG1 . 7245 1 24 . 1 1 2 2 ILE CG2 C 13 17.2 0.5 . 1 . . . . 2 I CG2 . 7245 1 25 . 1 1 2 2 ILE CD1 C 13 13.1 0.5 . 1 . . . . 2 I CD1 . 7245 1 26 . 1 1 3 3 ASN H H 1 8.91 0.05 . 1 . . . . 3 N H . 7245 1 27 . 1 1 3 3 ASN HA H 1 4.44 0.05 . 1 . . . . 3 N HA . 7245 1 28 . 1 1 3 3 ASN HB2 H 1 2.85 0.05 . 1 . . . . 3 N HB2 . 7245 1 29 . 1 1 3 3 ASN HB3 H 1 2.78 0.05 . 1 . . . . 3 N HB3 . 7245 1 30 . 1 1 3 3 ASN HD21 H 1 7.73 0.05 . 1 . . . . 3 N HD21 . 7245 1 31 . 1 1 3 3 ASN HD22 H 1 6.90 0.05 . 1 . . . . 3 N HD22 . 7245 1 32 . 1 1 3 3 ASN CA C 13 55.5 0.5 . 1 . . . . 3 N CA . 7245 1 33 . 1 1 3 3 ASN CB C 13 37.5 0.5 . 1 . . . . 3 N CB . 7245 1 34 . 1 1 4 4 GLU H H 1 8.55 0.05 . 1 . . . . 4 E H . 7245 1 35 . 1 1 4 4 GLU HA H 1 4.17 0.05 . 1 . . . . 4 E HA . 7245 1 36 . 1 1 4 4 GLU HB2 H 1 2.19 0.05 . 1 . . . . 4 E HB2 . 7245 1 37 . 1 1 4 4 GLU HB3 H 1 2.06 0.05 . 1 . . . . 4 E HB3 . 7245 1 38 . 1 1 4 4 GLU HG2 H 1 2.48 0.05 . 1 . . . . 4 E HG2 . 7245 1 39 . 1 1 4 4 GLU HG3 H 1 2.39 0.05 . 1 . . . . 4 E HG3 . 7245 1 40 . 1 1 4 4 GLU CA C 13 58.2 0.2 . 1 . . . . 4 E CA . 7245 1 41 . 1 1 4 4 GLU CB C 13 28.1 0.5 . 1 . . . . 4 E CB . 7245 1 42 . 1 1 4 4 GLU CG C 13 34.5 0.5 . 1 . . . . 4 E CG . 7245 1 43 . 1 1 5 5 LEU H H 1 7.94 0.05 . 1 . . . . 5 L H . 7245 1 44 . 1 1 5 5 LEU HA H 1 4.12 0.05 . 1 . . . . 5 L HA . 7245 1 45 . 1 1 5 5 LEU HB2 H 1 1.79 0.05 . 4 . . . . 5 L HB2 . 7245 1 46 . 1 1 5 5 LEU HB3 H 1 1.74 0.05 . 4 . . . . 5 L HB3 . 7245 1 47 . 1 1 5 5 LEU HG H 1 1.74 0.05 . 4 . . . . 5 L HG . 7245 1 48 . 1 1 5 5 LEU HD11 H 1 0.96 0.05 . 5 . . . . 5 L HD1 . 7245 1 49 . 1 1 5 5 LEU HD12 H 1 0.96 0.05 . 5 . . . . 5 L HD1 . 7245 1 50 . 1 1 5 5 LEU HD13 H 1 0.96 0.05 . 5 . . . . 5 L HD1 . 7245 1 51 . 1 1 5 5 LEU HD21 H 1 0.91 0.05 . 5 . . . . 5 L HD2 . 7245 1 52 . 1 1 5 5 LEU HD22 H 1 0.91 0.05 . 5 . . . . 5 L HD2 . 7245 1 53 . 1 1 5 5 LEU HD23 H 1 0.91 0.05 . 5 . . . . 5 L HD2 . 7245 1 54 . 1 1 5 5 LEU CA C 13 57.2 0.5 . 1 . . . . 5 L CA . 7245 1 55 . 1 1 5 5 LEU N N 15 119.2 0.5 . 1 . . . . 5 L N . 7245 1 56 . 1 1 6 6 LEU H H 1 8.09 0.05 . 1 . . . . 6 L H . 7245 1 57 . 1 1 6 6 LEU HA H 1 4.03 0.05 . 1 . . . . 6 L HA . 7245 1 58 . 1 1 6 6 LEU HB2 H 1 1.79 0.05 . 4 . . . . 6 L HB2 . 7245 1 59 . 1 1 6 6 LEU HB3 H 1 1.79 0.05 . 4 . . . . 6 L HB3 . 7245 1 60 . 1 1 6 6 LEU HG H 1 1.79 0.05 . 4 . . . . 6 L HG . 7245 1 61 . 1 1 6 6 LEU HD11 H 1 0.88 0.05 . 1 . . . . 6 L HD1 . 7245 1 62 . 1 1 6 6 LEU HD12 H 1 0.88 0.05 . 1 . . . . 6 L HD1 . 7245 1 63 . 1 1 6 6 LEU HD13 H 1 0.88 0.05 . 1 . . . . 6 L HD1 . 7245 1 64 . 1 1 6 6 LEU HD21 H 1 0.85 0.05 . 1 . . . . 6 L HD2 . 7245 1 65 . 1 1 6 6 LEU HD22 H 1 0.85 0.05 . 1 . . . . 6 L HD2 . 7245 1 66 . 1 1 6 6 LEU HD23 H 1 0.85 0.05 . 1 . . . . 6 L HD2 . 7245 1 67 . 1 1 6 6 LEU CA C 13 57.6 0.3 . 1 . . . . 6 L CA . 7245 1 68 . 1 1 7 7 HIS H H 1 8.00 0.05 . 5 . . . . 7 H H . 7245 1 69 . 1 1 7 7 HIS HA H 1 4.43 0.05 . 1 . . . . 7 H HA . 7245 1 70 . 1 1 7 7 HIS HB2 H 1 3.37 0.05 . 1 . . . . 7 H HB2 . 7245 1 71 . 1 1 7 7 HIS HB3 H 1 3.37 0.05 . 1 . . . . 7 H HB3 . 7245 1 72 . 1 1 7 7 HIS HD2 H 1 7.27 0.05 . 1 . . . . 7 H HD2 . 7245 1 73 . 1 1 7 7 HIS HE1 H 1 8.61 0.05 . 1 . . . . 7 H HE1 . 7245 1 74 . 1 1 7 7 HIS CA C 13 57.8 0.2 . 1 . . . . 7 H CA . 7245 1 75 . 1 1 7 7 HIS CB C 13 27.6 0.5 . 1 . . . . 7 H CB . 7245 1 76 . 1 1 7 7 HIS CD2 C 13 119.3 0.5 . 1 . . . . 7 H CD2 . 7245 1 77 . 1 1 7 7 HIS CE1 C 13 136.3 0.5 . 1 . . . . 7 H CE1 . 7245 1 78 . 1 1 8 8 ILE H H 1 7.91 0.05 . 1 . . . . 8 I H . 7245 1 79 . 1 1 8 8 ILE HA H 1 3.81 0.05 . 1 . . . . 8 I HA . 7245 1 80 . 1 1 8 8 ILE HB H 1 2.13 0.05 . 5 . . . . 8 I HB . 7245 1 81 . 1 1 8 8 ILE HG12 H 1 1.21 0.05 . 1 . . . . 8 I HG12 . 7245 1 82 . 1 1 8 8 ILE HG21 H 1 0.96 0.05 . 1 . . . . 8 I HG2 . 7245 1 83 . 1 1 8 8 ILE HG22 H 1 0.96 0.05 . 1 . . . . 8 I HG2 . 7245 1 84 . 1 1 8 8 ILE HG23 H 1 0.96 0.05 . 1 . . . . 8 I HG2 . 7245 1 85 . 1 1 8 8 ILE HD11 H 1 0.90 0.05 . 1 . . . . 8 I HD1 . 7245 1 86 . 1 1 8 8 ILE HD12 H 1 0.90 0.05 . 1 . . . . 8 I HD1 . 7245 1 87 . 1 1 8 8 ILE HD13 H 1 0.90 0.05 . 1 . . . . 8 I HD1 . 7245 1 88 . 1 1 8 8 ILE CA C 13 64.1 0.4 . 1 . . . . 8 I CA . 7245 1 89 . 1 1 8 8 ILE CB C 13 37.4 0.5 . 1 . . . . 8 I CB . 7245 1 90 . 1 1 8 8 ILE CG2 C 13 17.3 0.5 . 1 . . . . 8 I CG2 . 7245 1 91 . 1 1 8 8 ILE CD1 C 13 13.2 0.5 . 1 . . . . 8 I CD1 . 7245 1 92 . 1 1 9 9 LEU H H 1 8.04 0.05 . 1 . . . . 9 L H . 7245 1 93 . 1 1 9 9 LEU HA H 1 4.04 0.05 . 1 . . . . 9 L HA . 7245 1 94 . 1 1 9 9 LEU HB2 H 1 1.72 0.05 . 4 . . . . 9 L HB2 . 7245 1 95 . 1 1 9 9 LEU HB3 H 1 1.72 0.05 . 4 . . . . 9 L HB3 . 7245 1 96 . 1 1 9 9 LEU HG H 1 1.72 0.05 . 4 . . . . 9 L HG . 7245 1 97 . 1 1 9 9 LEU HD11 H 1 0.96 0.05 . 1 . . . . 9 L HD1 . 7245 1 98 . 1 1 9 9 LEU HD12 H 1 0.96 0.05 . 1 . . . . 9 L HD1 . 7245 1 99 . 1 1 9 9 LEU HD13 H 1 0.96 0.05 . 1 . . . . 9 L HD1 . 7245 1 100 . 1 1 9 9 LEU HD21 H 1 0.91 0.05 . 1 . . . . 9 L HD2 . 7245 1 101 . 1 1 9 9 LEU HD22 H 1 0.91 0.05 . 1 . . . . 9 L HD2 . 7245 1 102 . 1 1 9 9 LEU HD23 H 1 0.91 0.05 . 1 . . . . 9 L HD2 . 7245 1 103 . 1 1 9 9 LEU CA C 13 57.5 0.3 . 1 . . . . 9 L CA . 7245 1 104 . 1 1 9 9 LEU N N 15 119.9 0.5 . 1 . . . . 9 L N . 7245 1 105 . 1 1 10 10 VAL H H 1 8.06 0.05 . 1 . . . . 10 V H . 7245 1 106 . 1 1 10 10 VAL HA H 1 3.75 0.05 . 1 . . . . 10 V HA . 7245 1 107 . 1 1 10 10 VAL HB H 1 2.11 0.05 . 5 . . . . 10 V HB . 7245 1 108 . 1 1 10 10 VAL HG11 H 1 1.06 0.05 . 1 . . . . 10 V HG1 . 7245 1 109 . 1 1 10 10 VAL HG12 H 1 1.06 0.05 . 1 . . . . 10 V HG1 . 7245 1 110 . 1 1 10 10 VAL HG13 H 1 1.06 0.05 . 1 . . . . 10 V HG1 . 7245 1 111 . 1 1 10 10 VAL HG21 H 1 0.93 0.05 . 1 . . . . 10 V HG2 . 7245 1 112 . 1 1 10 10 VAL HG22 H 1 0.93 0.05 . 1 . . . . 10 V HG2 . 7245 1 113 . 1 1 10 10 VAL HG23 H 1 0.93 0.05 . 1 . . . . 10 V HG2 . 7245 1 114 . 1 1 10 10 VAL CA C 13 65.8 0.2 . 1 . . . . 10 V CA . 7245 1 115 . 1 1 10 10 VAL CB C 13 31.4 0.5 . 1 . . . . 10 V CB . 7245 1 116 . 1 1 11 11 PHE H H 1 7.94 0.05 . 1 . . . . 11 F H . 7245 1 117 . 1 1 11 11 PHE HA H 1 4.43 0.05 . 1 . . . . 11 F HA . 7245 1 118 . 1 1 11 11 PHE HB2 H 1 3.20 0.05 . 1 . . . . 11 F HB2 . 7245 1 119 . 1 1 11 11 PHE HB3 H 1 3.20 0.05 . 1 . . . . 11 F HB3 . 7245 1 120 . 1 1 11 11 PHE HD1 H 1 7.24 0.05 . 1 . . . . 11 F HD1 . 7245 1 121 . 1 1 11 11 PHE HD2 H 1 7.24 0.05 . 1 . . . . 11 F HD2 . 7245 1 122 . 1 1 11 11 PHE HE1 H 1 7.31 0.05 . 4 . . . . 11 F HE1 . 7245 1 123 . 1 1 11 11 PHE HE2 H 1 7.31 0.05 . 4 . . . . 11 F HE2 . 7245 1 124 . 1 1 11 11 PHE HZ H 1 7.30 0.05 . 4 . . . . 11 F HZ . 7245 1 125 . 1 1 11 11 PHE CA C 13 60.1 0.15 . 1 . . . . 11 F CA . 7245 1 126 . 1 1 11 11 PHE CB C 13 38.3 0.5 . 1 . . . . 11 F CB . 7245 1 127 . 1 1 11 11 PHE CD1 C 13 131.2 0.5 . 1 . . . . 11 F CD1 . 7245 1 128 . 1 1 11 11 PHE CD2 C 13 131.2 0.5 . 1 . . . . 11 F CD2 . 7245 1 129 . 1 1 11 11 PHE CE1 C 13 130.9 0.5 . 1 . . . . 11 F CE1 . 7245 1 130 . 1 1 11 11 PHE CE2 C 13 130.9 0.5 . 1 . . . . 11 F CE2 . 7245 1 131 . 1 1 11 11 PHE CZ C 13 129.2 0.5 . 1 . . . . 11 F CZ . 7245 1 132 . 1 1 12 12 GLY H H 1 8.79 0.05 . 1 . . . . 12 G H . 7245 1 133 . 1 1 12 12 GLY HA2 H 1 3.73 0.05 . 1 . . . . 12 G HA2 . 7245 1 134 . 1 1 12 12 GLY HA3 H 1 3.65 0.05 . 1 . . . . 12 G HA3 . 7245 1 135 . 1 1 12 12 GLY CA C 13 46.7 0.1 . 1 . . . . 12 G CA . 7245 1 136 . 1 1 12 12 GLY N N 15 107.3 0.5 . 1 . . . . 12 G N . 7245 1 137 . 1 1 13 13 GLU H H 1 8.49 0.05 . 1 . . . . 13 E H . 7245 1 138 . 1 1 13 13 GLU HA H 1 3.89 0.05 . 5 . . . . 13 E HA . 7245 1 139 . 1 1 13 13 GLU HB2 H 1 2.25 0.05 . 5 . . . . 13 E HB2 . 7245 1 140 . 1 1 13 13 GLU HB3 H 1 2.21 0.05 . 1 . . . . 13 E HB3 . 7245 1 141 . 1 1 13 13 GLU HG2 H 1 2.56 0.05 . 1 . . . . 13 E HG2 . 7245 1 142 . 1 1 13 13 GLU HG3 H 1 2.38 0.05 . 1 . . . . 13 E HG3 . 7245 1 143 . 1 1 13 13 GLU CA C 13 59.1 0.2 . 1 . . . . 13 E CA . 7245 1 144 . 1 1 13 13 GLU CB C 13 27.6 0.5 . 1 . . . . 13 E CB . 7245 1 145 . 1 1 13 13 GLU CG C 13 33.3 0.5 . 1 . . . . 13 E CG . 7245 1 146 . 1 1 14 14 SER H H 1 8.01 0.05 . 5 . . . . 14 S H . 7245 1 147 . 1 1 14 14 SER HA H 1 4.25 0.05 . 1 . . . . 14 S HA . 7245 1 148 . 1 1 14 14 SER HB2 H 1 3.98 0.05 . 1 . . . . 14 S HB2 . 7245 1 149 . 1 1 14 14 SER HB3 H 1 3.98 0.05 . 1 . . . . 14 S HB3 . 7245 1 150 . 1 1 14 14 SER CA C 13 61.0 0.2 . 1 . . . . 14 S CA . 7245 1 151 . 1 1 14 14 SER CB C 13 62.2 0.5 . 1 . . . . 14 S CB . 7245 1 152 . 1 1 15 15 LEU H H 1 7.78 0.05 . 5 . . . . 15 L H . 7245 1 153 . 1 1 15 15 LEU HA H 1 4.16 0.05 . 1 . . . . 15 L HA . 7245 1 154 . 1 1 15 15 LEU HB2 H 1 1.77 0.05 . 4 . . . . 15 L HB2 . 7245 1 155 . 1 1 15 15 LEU HB3 H 1 1.77 0.05 . 4 . . . . 15 L HB3 . 7245 1 156 . 1 1 15 15 LEU HG H 1 1.77 0.05 . 4 . . . . 15 L HG . 7245 1 157 . 1 1 15 15 LEU HD11 H 1 0.82 0.05 . 4 . . . . 15 L HD1 . 7245 1 158 . 1 1 15 15 LEU HD12 H 1 0.82 0.05 . 4 . . . . 15 L HD1 . 7245 1 159 . 1 1 15 15 LEU HD13 H 1 0.82 0.05 . 4 . . . . 15 L HD1 . 7245 1 160 . 1 1 15 15 LEU HD21 H 1 0.82 0.05 . 4 . . . . 15 L HD2 . 7245 1 161 . 1 1 15 15 LEU HD22 H 1 0.82 0.05 . 4 . . . . 15 L HD2 . 7245 1 162 . 1 1 15 15 LEU HD23 H 1 0.82 0.05 . 4 . . . . 15 L HD2 . 7245 1 163 . 1 1 15 15 LEU CA C 13 56.7 0.4 . 1 . . . . 15 L CA . 7245 1 164 . 1 1 15 15 LEU N N 15 122.2 0.5 . 1 . . . . 15 L N . 7245 1 165 . 1 1 16 16 LEU H H 1 8.00 0.05 . 1 . . . . 16 L H . 7245 1 166 . 1 1 16 16 LEU HA H 1 4.03 0.05 . 1 . . . . 16 L HA . 7245 1 167 . 1 1 16 16 LEU HB2 H 1 1.66 0.05 . 4 . . . . 16 L HB2 . 7245 1 168 . 1 1 16 16 LEU HB3 H 1 1.66 0.05 . 4 . . . . 16 L HB3 . 7245 1 169 . 1 1 16 16 LEU HG H 1 1.66 0.05 . 4 . . . . 16 L HG . 7245 1 170 . 1 1 16 16 LEU HD11 H 1 0.90 0.05 . 1 . . . . 16 L HD1 . 7245 1 171 . 1 1 16 16 LEU HD12 H 1 0.90 0.05 . 1 . . . . 16 L HD1 . 7245 1 172 . 1 1 16 16 LEU HD13 H 1 0.90 0.05 . 1 . . . . 16 L HD1 . 7245 1 173 . 1 1 16 16 LEU HD21 H 1 0.86 0.05 . 1 . . . . 16 L HD2 . 7245 1 174 . 1 1 16 16 LEU HD22 H 1 0.86 0.05 . 1 . . . . 16 L HD2 . 7245 1 175 . 1 1 16 16 LEU HD23 H 1 0.86 0.05 . 1 . . . . 16 L HD2 . 7245 1 176 . 1 1 16 16 LEU CA C 13 57.6 0.3 . 1 . . . . 16 L CA . 7245 1 177 . 1 1 17 17 ASN H H 1 8.19 0.05 . 1 . . . . 17 N H . 7245 1 178 . 1 1 17 17 ASN HA H 1 4.40 0.05 . 1 . . . . 17 N HA . 7245 1 179 . 1 1 17 17 ASN HB2 H 1 2.88 0.05 . 1 . . . . 17 N HB2 . 7245 1 180 . 1 1 17 17 ASN HB3 H 1 2.82 0.05 . 1 . . . . 17 N HB3 . 7245 1 181 . 1 1 17 17 ASN HD21 H 1 7.56 0.05 . 1 . . . . 17 N HD21 . 7245 1 182 . 1 1 17 17 ASN HD22 H 1 6.79 0.05 . 1 . . . . 17 N HD22 . 7245 1 183 . 1 1 17 17 ASN CA C 13 55.6 0.5 . 1 . . . . 17 N CA . 7245 1 184 . 1 1 17 17 ASN CB C 13 38.3 0.5 . 1 . . . . 17 N CB . 7245 1 185 . 1 1 18 18 ASP H H 1 8.27 0.05 . 5 . . . . 18 D H . 7245 1 186 . 1 1 18 18 ASP HA H 1 4.44 0.05 . 5 . . . . 18 D HA . 7245 1 187 . 1 1 18 18 ASP HB2 H 1 2.73 0.05 . 1 . . . . 18 D HB2 . 7245 1 188 . 1 1 18 18 ASP HB3 H 1 2.71 0.05 . 1 . . . . 18 D HB3 . 7245 1 189 . 1 1 18 18 ASP CA C 13 56.0 0.5 . 1 . . . . 18 D CA . 7245 1 190 . 1 1 18 18 ASP CB C 13 37.8 0.5 . 1 . . . . 18 D CB . 7245 1 191 . 1 1 19 19 ALA H H 1 8.32 0.05 . 5 . . . . 19 A H . 7245 1 192 . 1 1 19 19 ALA HA H 1 4.05 0.05 . 1 . . . . 19 A HA . 7245 1 193 . 1 1 19 19 ALA HB1 H 1 1.50 0.05 . 5 . . . . 19 A HB . 7245 1 194 . 1 1 19 19 ALA HB2 H 1 1.50 0.05 . 5 . . . . 19 A HB . 7245 1 195 . 1 1 19 19 ALA HB3 H 1 1.50 0.05 . 5 . . . . 19 A HB . 7245 1 196 . 1 1 19 19 ALA CA C 13 54.8 0.2 . 1 . . . . 19 A CA . 7245 1 197 . 1 1 19 19 ALA CB C 13 18.0 0.5 . 1 . . . . 19 A CB . 7245 1 198 . 1 1 19 19 ALA N N 15 122.1 0.5 . 1 . . . . 19 A N . 7245 1 199 . 1 1 20 20 VAL H H 1 8.30 0.05 . 1 . . . . 20 V H . 7245 1 200 . 1 1 20 20 VAL HA H 1 3.58 0.05 . 1 . . . . 20 V HA . 7245 1 201 . 1 1 20 20 VAL HB H 1 2.27 0.05 . 1 . . . . 20 V HB . 7245 1 202 . 1 1 20 20 VAL HG11 H 1 1.09 0.05 . 5 . . . . 20 V HG1 . 7245 1 203 . 1 1 20 20 VAL HG12 H 1 1.09 0.05 . 5 . . . . 20 V HG1 . 7245 1 204 . 1 1 20 20 VAL HG13 H 1 1.09 0.05 . 5 . . . . 20 V HG1 . 7245 1 205 . 1 1 20 20 VAL HG21 H 1 0.97 0.05 . 5 . . . . 20 V HG2 . 7245 1 206 . 1 1 20 20 VAL HG22 H 1 0.97 0.05 . 5 . . . . 20 V HG2 . 7245 1 207 . 1 1 20 20 VAL HG23 H 1 0.97 0.05 . 5 . . . . 20 V HG2 . 7245 1 208 . 1 1 20 20 VAL CA C 13 66.1 0.2 . 1 . . . . 20 V CA . 7245 1 209 . 1 1 20 20 VAL CB C 13 31.4 0.5 . 1 . . . . 20 V CB . 7245 1 210 . 1 1 21 21 THR H H 1 7.99 0.05 . 5 . . . . 21 T H . 7245 1 211 . 1 1 21 21 THR HA H 1 3.90 0.05 . 5 . . . . 21 T HA . 7245 1 212 . 1 1 21 21 THR HB H 1 4.37 0.05 . 1 . . . . 21 T HB . 7245 1 213 . 1 1 21 21 THR HG21 H 1 1.25 0.05 . 1 . . . . 21 T HG2 . 7245 1 214 . 1 1 21 21 THR HG22 H 1 1.25 0.05 . 1 . . . . 21 T HG2 . 7245 1 215 . 1 1 21 21 THR HG23 H 1 1.25 0.05 . 1 . . . . 21 T HG2 . 7245 1 216 . 1 1 21 21 THR CA C 13 66.2 0.2 . 1 . . . . 21 T CA . 7245 1 217 . 1 1 21 21 THR CB C 13 68.2 0.5 . 1 . . . . 21 T CB . 7245 1 218 . 1 1 21 21 THR CG2 C 13 21.5 0.5 . 1 . . . . 21 T CG2 . 7245 1 219 . 1 1 22 22 VAL H H 1 7.78 0.05 . 5 . . . . 22 V H . 7245 1 220 . 1 1 22 22 VAL HA H 1 3.81 0.05 . 1 . . . . 22 V HA . 7245 1 221 . 1 1 22 22 VAL HB H 1 2.25 0.05 . 5 . . . . 22 V HB . 7245 1 222 . 1 1 22 22 VAL HG11 H 1 1.09 0.05 . 5 . . . . 22 V HG1 . 7245 1 223 . 1 1 22 22 VAL HG12 H 1 1.09 0.05 . 5 . . . . 22 V HG1 . 7245 1 224 . 1 1 22 22 VAL HG13 H 1 1.09 0.05 . 5 . . . . 22 V HG1 . 7245 1 225 . 1 1 22 22 VAL HG21 H 1 0.98 0.05 . 5 . . . . 22 V HG2 . 7245 1 226 . 1 1 22 22 VAL HG22 H 1 0.98 0.05 . 5 . . . . 22 V HG2 . 7245 1 227 . 1 1 22 22 VAL HG23 H 1 0.98 0.05 . 5 . . . . 22 V HG2 . 7245 1 228 . 1 1 22 22 VAL CA C 13 65.4 0.2 . 1 . . . . 22 V CA . 7245 1 229 . 1 1 22 22 VAL CB C 13 31.4 0.5 . 1 . . . . 22 V CB . 7245 1 230 . 1 1 23 23 VAL H H 1 7.94 0.05 . 1 . . . . 23 V H . 7245 1 231 . 1 1 23 23 VAL HA H 1 3.70 0.05 . 1 . . . . 23 V HA . 7245 1 232 . 1 1 23 23 VAL HB H 1 2.20 0.05 . 1 . . . . 23 V HB . 7245 1 233 . 1 1 23 23 VAL HG11 H 1 1.07 0.05 . 1 . . . . 23 V HG1 . 7245 1 234 . 1 1 23 23 VAL HG12 H 1 1.07 0.05 . 1 . . . . 23 V HG1 . 7245 1 235 . 1 1 23 23 VAL HG13 H 1 1.07 0.05 . 1 . . . . 23 V HG1 . 7245 1 236 . 1 1 23 23 VAL HG21 H 1 0.94 0.05 . 1 . . . . 23 V HG2 . 7245 1 237 . 1 1 23 23 VAL HG22 H 1 0.94 0.05 . 1 . . . . 23 V HG2 . 7245 1 238 . 1 1 23 23 VAL HG23 H 1 0.94 0.05 . 1 . . . . 23 V HG2 . 7245 1 239 . 1 1 23 23 VAL CA C 13 65.8 0.2 . 1 . . . . 23 V CA . 7245 1 240 . 1 1 23 23 VAL CB C 13 31.4 0.5 . 1 . . . . 23 V CB . 7245 1 241 . 1 1 24 24 LEU H H 1 8.25 0.05 . 1 . . . . 24 L H . 7245 1 242 . 1 1 24 24 LEU HA H 1 4.11 0.05 . 5 . . . . 24 L HA . 7245 1 243 . 1 1 24 24 LEU HB2 H 1 1.75 0.05 . 4 . . . . 24 L HB2 . 7245 1 244 . 1 1 24 24 LEU HB3 H 1 1.75 0.05 . 4 . . . . 24 L HB3 . 7245 1 245 . 1 1 24 24 LEU HG H 1 1.75 0.05 . 4 . . . . 24 L HG . 7245 1 246 . 1 1 24 24 LEU HD11 H 1 0.87 0.05 . 1 . . . . 24 L HD1 . 7245 1 247 . 1 1 24 24 LEU HD12 H 1 0.87 0.05 . 1 . . . . 24 L HD1 . 7245 1 248 . 1 1 24 24 LEU HD13 H 1 0.87 0.05 . 1 . . . . 24 L HD1 . 7245 1 249 . 1 1 24 24 LEU HD21 H 1 0.83 0.05 . 1 . . . . 24 L HD2 . 7245 1 250 . 1 1 24 24 LEU HD22 H 1 0.83 0.05 . 1 . . . . 24 L HD2 . 7245 1 251 . 1 1 24 24 LEU HD23 H 1 0.83 0.05 . 1 . . . . 24 L HD2 . 7245 1 252 . 1 1 24 24 LEU CA C 13 57.0 0.5 . 1 . . . . 24 L CA . 7245 1 253 . 1 1 24 24 LEU N N 15 118.1 0.5 . 1 . . . . 24 L N . 7245 1 254 . 1 1 25 25 TYR H H 1 7.88 0.05 . 1 . . . . 25 Y H . 7245 1 255 . 1 1 25 25 TYR HA H 1 4.46 0.05 . 5 . . . . 25 Y HA . 7245 1 256 . 1 1 25 25 TYR HB2 H 1 3.17 0.05 . 1 . . . . 25 Y HB2 . 7245 1 257 . 1 1 25 25 TYR HB3 H 1 3.17 0.05 . 1 . . . . 25 Y HB3 . 7245 1 258 . 1 1 25 25 TYR HD1 H 1 7.12 0.05 . 5 . . . . 25 Y HD1 . 7245 1 259 . 1 1 25 25 TYR HD2 H 1 7.12 0.05 . 5 . . . . 25 Y HD2 . 7245 1 260 . 1 1 25 25 TYR HE1 H 1 6.80 0.05 . 1 . . . . 25 Y HE1 . 7245 1 261 . 1 1 25 25 TYR HE2 H 1 6.80 0.05 . 1 . . . . 25 Y HE2 . 7245 1 262 . 1 1 25 25 TYR CA C 13 58.7 0.2 . 1 . . . . 25 Y CA . 7245 1 263 . 1 1 25 25 TYR CB C 13 37.9 0.5 . 1 . . . . 25 Y CB . 7245 1 264 . 1 1 25 25 TYR CD1 C 13 132.5 0.5 . 1 . . . . 25 Y CD1 . 7245 1 265 . 1 1 25 25 TYR CD2 C 13 132.5 0.5 . 1 . . . . 25 Y CD2 . 7245 1 266 . 1 1 25 25 TYR CE1 C 13 117.7 0.5 . 1 . . . . 25 Y CE1 . 7245 1 267 . 1 1 25 25 TYR CE2 C 13 117.7 0.5 . 1 . . . . 25 Y CE2 . 7245 1 268 . 1 1 26 26 LYS H H 1 7.99 0.05 . 5 . . . . 26 K H . 7245 1 269 . 1 1 26 26 LYS HA H 1 4.11 0.05 . 5 . . . . 26 K HA . 7245 1 270 . 1 1 26 26 LYS HB2 H 1 1.90 0.05 . 1 . . . . 26 K HB2 . 7245 1 271 . 1 1 26 26 LYS HB3 H 1 1.90 0.05 . 1 . . . . 26 K HB3 . 7245 1 272 . 1 1 26 26 LYS HG2 H 1 1.40 0.05 . 1 . . . . 26 K HG2 . 7245 1 273 . 1 1 26 26 LYS HG3 H 1 1.40 0.05 . 1 . . . . 26 K HG3 . 7245 1 274 . 1 1 26 26 LYS HD2 H 1 1.76 0.05 . 1 . . . . 26 K HD2 . 7245 1 275 . 1 1 26 26 LYS HD3 H 1 1.76 0.05 . 1 . . . . 26 K HD3 . 7245 1 276 . 1 1 26 26 LYS HE2 H 1 2.94 0.05 . 5 . . . . 26 K HE2 . 7245 1 277 . 1 1 26 26 LYS HE3 H 1 2.94 0.05 . 5 . . . . 26 K HE3 . 7245 1 278 . 1 1 26 26 LYS HZ1 H 1 7.77 0.05 . 1 . . . . 26 K HZ . 7245 1 279 . 1 1 26 26 LYS HZ2 H 1 7.77 0.05 . 1 . . . . 26 K HZ . 7245 1 280 . 1 1 26 26 LYS HZ3 H 1 7.77 0.05 . 1 . . . . 26 K HZ . 7245 1 281 . 1 1 26 26 LYS CA C 13 56.9 0.6 . 1 . . . . 26 K CA . 7245 1 282 . 1 1 26 26 LYS CB C 13 32.0 0.5 . 1 . . . . 26 K CB . 7245 1 283 . 1 1 27 27 LYS H H 1 8.10 0.05 . 1 . . . . 27 K H . 7245 1 284 . 1 1 27 27 LYS HA H 1 4.17 0.05 . 1 . . . . 27 K HA . 7245 1 285 . 1 1 27 27 LYS HB2 H 1 1.87 0.05 . 1 . . . . 27 K HB2 . 7245 1 286 . 1 1 27 27 LYS HB3 H 1 1.82 0.05 . 1 . . . . 27 K HB3 . 7245 1 287 . 1 1 27 27 LYS HG2 H 1 1.50 0.05 . 5 . . . . 27 K HG2 . 7245 1 288 . 1 1 27 27 LYS HG3 H 1 1.50 0.05 . 5 . . . . 27 K HG3 . 7245 1 289 . 1 1 27 27 LYS HD2 H 1 1.67 0.05 . 1 . . . . 27 K HD2 . 7245 1 290 . 1 1 27 27 LYS HD3 H 1 1.67 0.05 . 1 . . . . 27 K HD3 . 7245 1 291 . 1 1 27 27 LYS HE2 H 1 2.96 0.05 . 5 . . . . 27 K HE2 . 7245 1 292 . 1 1 27 27 LYS HE3 H 1 2.96 0.05 . 5 . . . . 27 K HE3 . 7245 1 293 . 1 1 27 27 LYS HZ1 H 1 7.76 0.05 . 1 . . . . 27 K HZ . 7245 1 294 . 1 1 27 27 LYS HZ2 H 1 7.76 0.05 . 1 . . . . 27 K HZ . 7245 1 295 . 1 1 27 27 LYS HZ3 H 1 7.76 0.05 . 1 . . . . 27 K HZ . 7245 1 296 . 1 1 27 27 LYS CA C 13 56.3 0.4 . 1 . . . . 27 K CA . 7245 1 297 . 1 1 27 27 LYS CB C 13 32.4 0.5 . 1 . . . . 27 K CB . 7245 1 298 . 1 1 27 27 LYS CG C 13 24.5 0.5 . 1 . . . . 27 K CG . 7245 1 299 . 1 1 28 28 NH2 HN1 H 1 7.30 0.05 . 1 . . . . 27 K H1 . 7245 1 300 . 1 1 28 28 NH2 HN2 H 1 7.11 0.05 . 5 . . . . 27 K H2 . 7245 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 45 7245 1 1 46 7245 1 1 47 7245 1 2 58 7245 1 2 59 7245 1 2 60 7245 1 3 94 7245 1 3 95 7245 1 3 96 7245 1 4 122 7245 1 4 123 7245 1 4 124 7245 1 5 154 7245 1 5 155 7245 1 5 156 7245 1 6 157 7245 1 6 158 7245 1 6 159 7245 1 6 160 7245 1 6 161 7245 1 6 162 7245 1 7 167 7245 1 7 168 7245 1 7 169 7245 1 8 244 7245 1 8 245 7245 1 8 246 7245 1 9 15 7245 1 9 16 7245 1 9 17 7245 1 9 48 7245 1 9 49 7245 1 9 50 7245 1 10 18 7245 1 10 19 7245 1 10 20 7245 1 10 51 7245 1 10 52 7245 1 10 53 7245 1 11 68 7245 1 12 80 7245 1 13 107 7245 1 13 221 7245 1 14 138 7245 1 15 139 7245 1 16 146 7245 1 17 152 7245 1 18 185 7245 1 19 186 7245 1 20 191 7245 1 21 193 7245 1 21 194 7245 1 21 195 7245 1 22 202 7245 1 22 203 7245 1 22 204 7245 1 22 222 7245 1 22 223 7245 1 22 224 7245 1 23 205 7245 1 23 206 7245 1 23 207 7245 1 23 225 7245 1 23 226 7245 1 23 227 7245 1 24 210 7245 1 25 211 7245 1 26 219 7245 1 27 243 7245 1 28 255 7245 1 29 258 7245 1 29 259 7245 1 30 268 7245 1 30 285 7245 1 31 269 7245 1 32 276 7245 1 32 277 7245 1 32 293 7245 1 32 294 7245 1 33 289 7245 1 33 290 7245 1 stop_ save_