################################### # 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_chemical_shifts_in_TFE_50% _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_in_TFE_50% _Assigned_chem_shift_list.Entry_ID 6757 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $303K _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _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 'TOCSY in TFE 50%' 1 $TFE_50% isotropic 6757 1 2 '1H_13C_HSQC in TFE 50%' 1 $TFE_50% isotropic 6757 1 3 'NOESY in TFE 50%' 1 $TFE_50% isotropic 6757 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 1 $Sparky_3.110 . . 6757 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 4.25 0.01 . 1 . . . . 1 SER HA . 6757 1 2 . 1 1 1 1 SER HB2 H 1 4.08 0.01 . 1 . . . . 1 SER HB2 . 6757 1 3 . 1 1 1 1 SER HB3 H 1 4.08 0.01 . 1 . . . . 1 SER HB3 . 6757 1 4 . 1 1 1 1 SER CA C 13 58.15 0.05 . 1 . . . . 1 SER CA . 6757 1 5 . 1 1 2 2 GLY H H 1 8.65 0.01 . 1 . . . . 2 GLY H . 6757 1 6 . 1 1 2 2 GLY HA2 H 1 4.03 0.01 . 1 . . . . 2 GLY HA2 . 6757 1 7 . 1 1 2 2 GLY HA3 H 1 4.03 0.01 . 1 . . . . 2 GLY HA3 . 6757 1 8 . 1 1 2 2 GLY CA C 13 46.17 0.05 . 1 . . . . 2 GLY CA . 6757 1 9 . 1 1 3 3 ASN H H 1 8.11 0.01 . 1 . . . . 3 ASN H . 6757 1 10 . 1 1 3 3 ASN HA H 1 4.74 0.01 . 1 . . . . 3 ASN HA . 6757 1 11 . 1 1 3 3 ASN HB2 H 1 2.79 0.03 . 2 . . . . 3 ASN HB2 . 6757 1 12 . 1 1 3 3 ASN HB3 H 1 2.92 0.03 . 2 . . . . 3 ASN HB3 . 6757 1 13 . 1 1 3 3 ASN CB C 13 39.64 0.01 . 1 . . . . 3 ASN CB . 6757 1 14 . 1 1 4 4 TYR H H 1 8.05 0.01 . 1 . . . . 4 TYR H . 6757 1 15 . 1 1 4 4 TYR HA H 1 4.43 0.01 . 1 . . . . 4 TYR HA . 6757 1 16 . 1 1 4 4 TYR HB2 H 1 3.13 0.01 . 1 . . . . 4 TYR HB2 . 6757 1 17 . 1 1 4 4 TYR HB3 H 1 3.13 0.01 . 1 . . . . 4 TYR HB3 . 6757 1 18 . 1 1 4 4 TYR HD1 H 1 7.17 0.01 . 1 . . . . 4 TYR HD1 . 6757 1 19 . 1 1 4 4 TYR HD2 H 1 7.17 0.01 . 1 . . . . 4 TYR HD2 . 6757 1 20 . 1 1 4 4 TYR HE1 H 1 6.85 0.02 . 1 . . . . 4 TYR HE1 . 6757 1 21 . 1 1 4 4 TYR HE2 H 1 6.85 0.02 . 1 . . . . 4 TYR HE2 . 6757 1 22 . 1 1 4 4 TYR CA C 13 61.49 0.05 . 1 . . . . 4 TYR CA . 6757 1 23 . 1 1 4 4 TYR CB C 13 39.23 0.05 . 1 . . . . 4 TYR CB . 6757 1 24 . 1 1 4 4 TYR CD1 C 13 133.79 0.05 . 1 . . . . 4 TYR CD1 . 6757 1 25 . 1 1 4 4 TYR CD2 C 13 133.79 0.05 . 1 . . . . 4 TYR CD2 . 6757 1 26 . 1 1 4 4 TYR CE1 C 13 119.12 0.05 . 1 . . . . 4 TYR CE1 . 6757 1 27 . 1 1 4 4 TYR CE2 C 13 119.12 0.05 . 1 . . . . 4 TYR CE2 . 6757 1 28 . 1 1 5 5 VAL H H 1 7.65 0.01 . 1 . . . . 5 VAL H . 6757 1 29 . 1 1 5 5 VAL HA H 1 3.69 0.01 . 1 . . . . 5 VAL HA . 6757 1 30 . 1 1 5 5 VAL HB H 1 2.13 0.01 . 1 . . . . 5 VAL HB . 6757 1 31 . 1 1 5 5 VAL HG11 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1 32 . 1 1 5 5 VAL HG12 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1 33 . 1 1 5 5 VAL HG13 H 1 1.04 0.02 . 1 . . . . 5 VAL HG1 . 6757 1 34 . 1 1 5 5 VAL HG21 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1 35 . 1 1 5 5 VAL HG22 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1 36 . 1 1 5 5 VAL HG23 H 1 0.98 0.02 . 1 . . . . 5 VAL HG2 . 6757 1 37 . 1 1 5 5 VAL CA C 13 67.48 0.05 . 1 . . . . 5 VAL CA . 6757 1 38 . 1 1 5 5 VAL CB C 13 32.53 0.05 . 1 . . . . 5 VAL CB . 6757 1 39 . 1 1 5 5 VAL CG1 C 13 21.90 0.05 . 2 . . . . 5 VAL CG1 . 6757 1 40 . 1 1 5 5 VAL CG2 C 13 21.60 0.05 . 2 . . . . 5 VAL CG2 . 6757 1 41 . 1 1 6 6 LEU H H 1 7.57 0.01 . 1 . . . . 6 LEU H . 6757 1 42 . 1 1 6 6 LEU HA H 1 4.09 0.01 . 1 . . . . 6 LEU HA . 6757 1 43 . 1 1 6 6 LEU HB2 H 1 1.65 0.01 . 1 . . . . 6 LEU HB2 . 6757 1 44 . 1 1 6 6 LEU HB3 H 1 1.65 0.01 . 1 . . . . 6 LEU HB3 . 6757 1 45 . 1 1 6 6 LEU HG H 1 1.68 0.01 . 1 . . . . 6 LEU HG . 6757 1 46 . 1 1 6 6 LEU HD11 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1 47 . 1 1 6 6 LEU HD12 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1 48 . 1 1 6 6 LEU HD13 H 1 0.96 0.01 . 1 . . . . 6 LEU HD1 . 6757 1 49 . 1 1 6 6 LEU HD21 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1 50 . 1 1 6 6 LEU HD22 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1 51 . 1 1 6 6 LEU HD23 H 1 0.90 0.01 . 1 . . . . 6 LEU HD2 . 6757 1 52 . 1 1 6 6 LEU CA C 13 59.45 0.05 . 1 . . . . 6 LEU CA . 6757 1 53 . 1 1 6 6 LEU CB C 13 42.27 0.05 . 1 . . . . 6 LEU CB . 6757 1 54 . 1 1 6 6 LEU CG C 13 27.85 0.05 . 1 . . . . 6 LEU CG . 6757 1 55 . 1 1 6 6 LEU CD1 C 13 24.77 0.05 . 2 . . . . 6 LEU CD1 . 6757 1 56 . 1 1 6 6 LEU CD2 C 13 23.75 0.05 . 2 . . . . 6 LEU CD2 . 6757 1 57 . 1 1 7 7 ASP H H 1 7.96 0.01 . 1 . . . . 7 ASP H . 6757 1 58 . 1 1 7 7 ASP HA H 1 4.49 0.01 . 1 . . . . 7 ASP HA . 6757 1 59 . 1 1 7 7 ASP HB2 H 1 2.91 0.01 . 2 . . . . 7 ASP HB2 . 6757 1 60 . 1 1 7 7 ASP HB3 H 1 3.11 0.01 . 2 . . . . 7 ASP HB3 . 6757 1 61 . 1 1 7 7 ASP CA C 13 57.11 0.05 . 1 . . . . 7 ASP CA . 6757 1 62 . 1 1 7 7 ASP CB C 13 38.36 0.05 . 1 . . . . 7 ASP CB . 6757 1 63 . 1 1 8 8 LEU H H 1 8.15 0.01 . 1 . . . . 8 LEU H . 6757 1 64 . 1 1 8 8 LEU HA H 1 4.18 0.01 . 1 . . . . 8 LEU HA . 6757 1 65 . 1 1 8 8 LEU HB2 H 1 1.82 0.01 . 2 . . . . 8 LEU HB2 . 6757 1 66 . 1 1 8 8 LEU HB3 H 1 1.97 0.01 . 2 . . . . 8 LEU HB3 . 6757 1 67 . 1 1 8 8 LEU HG H 1 1.69 0.01 . 1 . . . . 8 LEU HG . 6757 1 68 . 1 1 8 8 LEU HD11 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1 69 . 1 1 8 8 LEU HD12 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1 70 . 1 1 8 8 LEU HD13 H 1 0.96 0.01 . 1 . . . . 8 LEU HD1 . 6757 1 71 . 1 1 8 8 LEU HD21 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1 72 . 1 1 8 8 LEU HD22 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1 73 . 1 1 8 8 LEU HD23 H 1 0.96 0.01 . 1 . . . . 8 LEU HD2 . 6757 1 74 . 1 1 8 8 LEU CA C 13 59.66 0.05 . 1 . . . . 8 LEU CA . 6757 1 75 . 1 1 8 8 LEU CB C 13 42.60 0.01 . 1 . . . . 8 LEU CB . 6757 1 76 . 1 1 8 8 LEU CG C 13 27.91 0.05 . 1 . . . . 8 LEU CG . 6757 1 77 . 1 1 8 8 LEU CD1 C 13 24.77 0.05 . 2 . . . . 8 LEU CD1 . 6757 1 78 . 1 1 8 8 LEU CD2 C 13 24.36 0.05 . 2 . . . . 8 LEU CD2 . 6757 1 79 . 1 1 9 9 ILE H H 1 8.48 0.01 . 1 . . . . 9 ILE H . 6757 1 80 . 1 1 9 9 ILE HA H 1 3.73 0.01 . 1 . . . . 9 ILE HA . 6757 1 81 . 1 1 9 9 ILE HB H 1 2.04 0.01 . 1 . . . . 9 ILE HB . 6757 1 82 . 1 1 9 9 ILE HG12 H 1 1.26 0.01 . 2 . . . . 9 ILE HG12 . 6757 1 83 . 1 1 9 9 ILE HG13 H 1 1.88 0.01 . 2 . . . . 9 ILE HG13 . 6757 1 84 . 1 1 9 9 ILE HG21 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1 85 . 1 1 9 9 ILE HG22 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1 86 . 1 1 9 9 ILE HG23 H 1 0.94 0.01 . 1 . . . . 9 ILE HG2 . 6757 1 87 . 1 1 9 9 ILE HD11 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1 88 . 1 1 9 9 ILE HD12 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1 89 . 1 1 9 9 ILE HD13 H 1 0.89 0.01 . 1 . . . . 9 ILE HD1 . 6757 1 90 . 1 1 9 9 ILE CA C 13 66.71 0.05 . 1 . . . . 9 ILE CA . 6757 1 91 . 1 1 9 9 ILE CB C 13 38.86 0.05 . 1 . . . . 9 ILE CB . 6757 1 92 . 1 1 9 9 ILE CG1 C 13 29.59 0.05 . 1 . . . . 9 ILE CG1 . 6757 1 93 . 1 1 9 9 ILE CG2 C 13 17.57 0.05 . 1 . . . . 9 ILE CG2 . 6757 1 94 . 1 1 9 9 ILE CD1 C 13 13.21 0.05 . 1 . . . . 9 ILE CD1 . 6757 1 95 . 1 1 10 10 TYR H H 1 8.92 0.01 . 1 . . . . 10 TYR H . 6757 1 96 . 1 1 10 10 TYR HA H 1 4.28 0.01 . 1 . . . . 10 TYR HA . 6757 1 97 . 1 1 10 10 TYR HB2 H 1 3.24 0.01 . 2 . . . . 10 TYR HB2 . 6757 1 98 . 1 1 10 10 TYR HB3 H 1 3.26 0.01 . 1 . . . . 10 TYR HB3 . 6757 1 99 . 1 1 10 10 TYR HD1 H 1 7.18 0.01 . 1 . . . . 10 TYR HD1 . 6757 1 100 . 1 1 10 10 TYR HD2 H 1 7.18 0.01 . 1 . . . . 10 TYR HD2 . 6757 1 101 . 1 1 10 10 TYR HE1 H 1 6.87 0.02 . 1 . . . . 10 TYR HE1 . 6757 1 102 . 1 1 10 10 TYR HE2 H 1 6.87 0.02 . 1 . . . . 10 TYR HE2 . 6757 1 103 . 1 1 10 10 TYR CA C 13 62.62 0.05 . 1 . . . . 10 TYR CA . 6757 1 104 . 1 1 10 10 TYR CB C 13 39.13 0.05 . 1 . . . . 10 TYR CB . 6757 1 105 . 1 1 10 10 TYR CD1 C 13 133.79 0.05 . 1 . . . . 10 TYR CD1 . 6757 1 106 . 1 1 10 10 TYR CD2 C 13 133.79 0.05 . 1 . . . . 10 TYR CD2 . 6757 1 107 . 1 1 10 10 TYR CE1 C 13 118.82 0.05 . 1 . . . . 10 TYR CE1 . 6757 1 108 . 1 1 10 10 TYR CE2 C 13 118.82 0.05 . 1 . . . . 10 TYR CE2 . 6757 1 109 . 1 1 11 11 SER H H 1 8.40 0.01 . 1 . . . . 11 SER H . 6757 1 110 . 1 1 11 11 SER HA H 1 4.30 0.01 . 1 . . . . 11 SER HA . 6757 1 111 . 1 1 11 11 SER HB2 H 1 4.07 0.01 . 2 . . . . 11 SER HB2 . 6757 1 112 . 1 1 11 11 SER HB3 H 1 4.15 0.01 . 2 . . . . 11 SER HB3 . 6757 1 113 . 1 1 11 11 SER CA C 13 63.86 0.05 . 1 . . . . 11 SER CA . 6757 1 114 . 1 1 11 11 SER CB C 13 63.88 0.08 . 1 . . . . 11 SER CB . 6757 1 115 . 1 1 12 12 LEU H H 1 8.81 0.01 . 1 . . . . 12 LEU H . 6757 1 116 . 1 1 12 12 LEU HA H 1 4.19 0.01 . 1 . . . . 12 LEU HA . 6757 1 117 . 1 1 12 12 LEU HB2 H 1 1.63 0.01 . 2 . . . . 12 LEU HB2 . 6757 1 118 . 1 1 12 12 LEU HB3 H 1 1.94 0.01 . 2 . . . . 12 LEU HB3 . 6757 1 119 . 1 1 12 12 LEU HG H 1 1.81 0.01 . 1 . . . . 12 LEU HG . 6757 1 120 . 1 1 12 12 LEU HD11 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1 121 . 1 1 12 12 LEU HD12 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1 122 . 1 1 12 12 LEU HD13 H 1 0.90 0.01 . 1 . . . . 12 LEU HD1 . 6757 1 123 . 1 1 12 12 LEU HD21 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1 124 . 1 1 12 12 LEU HD22 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1 125 . 1 1 12 12 LEU HD23 H 1 0.90 0.01 . 1 . . . . 12 LEU HD2 . 6757 1 126 . 1 1 12 12 LEU CA C 13 59.09 0.05 . 1 . . . . 12 LEU CA . 6757 1 127 . 1 1 12 12 LEU CB C 13 42.68 0.05 . 1 . . . . 12 LEU CB . 6757 1 128 . 1 1 12 12 LEU CG C 13 27.69 0.05 . 1 . . . . 12 LEU CG . 6757 1 129 . 1 1 12 12 LEU CD1 C 13 24.85 0.05 . 2 . . . . 12 LEU CD1 . 6757 1 130 . 1 1 12 12 LEU CD2 C 13 23.75 0.05 . 2 . . . . 12 LEU CD2 . 6757 1 131 . 1 1 13 13 HIS H H 1 8.36 0.01 . 1 . . . . 13 HIS H . 6757 1 132 . 1 1 13 13 HIS HA H 1 4.24 0.01 . 1 . . . . 13 HIS HA . 6757 1 133 . 1 1 13 13 HIS HB2 H 1 3.32 0.01 . 2 . . . . 13 HIS HB2 . 6757 1 134 . 1 1 13 13 HIS HB3 H 1 3.41 0.01 . 2 . . . . 13 HIS HB3 . 6757 1 135 . 1 1 13 13 HIS HD2 H 1 7.31 0.01 . 1 . . . . 13 HIS HD2 . 6757 1 136 . 1 1 13 13 HIS HE1 H 1 8.46 0.01 . 1 . . . . 13 HIS HE1 . 6757 1 137 . 1 1 13 13 HIS CA C 13 60.53 0.05 . 1 . . . . 13 HIS CA . 6757 1 138 . 1 1 13 13 HIS CB C 13 28.58 0.01 . 1 . . . . 13 HIS CB . 6757 1 139 . 1 1 13 13 HIS CD2 C 13 120.59 0.05 . 1 . . . . 13 HIS CD2 . 6757 1 140 . 1 1 13 13 HIS CE1 C 13 136.63 0.05 . 1 . . . . 13 HIS CE1 . 6757 1 141 . 1 1 14 14 LYS H H 1 8.21 0.01 . 1 . . . . 14 LYS H . 6757 1 142 . 1 1 14 14 LYS HA H 1 4.04 0.01 . 1 . . . . 14 LYS HA . 6757 1 143 . 1 1 14 14 LYS HB2 H 1 1.90 0.01 . 1 . . . . 14 LYS HB2 . 6757 1 144 . 1 1 14 14 LYS HB3 H 1 1.90 0.01 . 1 . . . . 14 LYS HB3 . 6757 1 145 . 1 1 14 14 LYS HG2 H 1 1.36 0.01 . 2 . . . . 14 LYS HG3 . 6757 1 146 . 1 1 14 14 LYS HG3 H 1 1.47 0.01 . 2 . . . . 14 LYS HG3 . 6757 1 147 . 1 1 14 14 LYS HD2 H 1 1.69 0.01 . 1 . . . . 14 LYS HD2 . 6757 1 148 . 1 1 14 14 LYS HD3 H 1 1.69 0.01 . 1 . . . . 14 LYS HD3 . 6757 1 149 . 1 1 14 14 LYS HE2 H 1 2.93 0.01 . 1 . . . . 14 LYS HE2 . 6757 1 150 . 1 1 14 14 LYS HE3 H 1 2.93 0.01 . 1 . . . . 14 LYS HE3 . 6757 1 151 . 1 1 14 14 LYS CA C 13 60.25 0.05 . 1 . . . . 14 LYS CA . 6757 1 152 . 1 1 14 14 LYS CB C 13 33.02 0.05 . 1 . . . . 14 LYS CB . 6757 1 153 . 1 1 14 14 LYS CG C 13 25.68 0.01 . 1 . . . . 14 LYS CG . 6757 1 154 . 1 1 14 14 LYS CD C 13 30.18 0.05 . 1 . . . . 14 LYS CD . 6757 1 155 . 1 1 14 14 LYS CE C 13 43.03 0.05 . 1 . . . . 14 LYS CE . 6757 1 156 . 1 1 15 15 GLN H H 1 8.05 0.01 . 1 . . . . 15 GLN H . 6757 1 157 . 1 1 15 15 GLN HA H 1 4.18 0.01 . 1 . . . . 15 GLN HA . 6757 1 158 . 1 1 15 15 GLN HB2 H 1 2.27 0.01 . 1 . . . . 15 GLN HB2 . 6757 1 159 . 1 1 15 15 GLN HB3 H 1 2.27 0.01 . 1 . . . . 15 GLN HB3 . 6757 1 160 . 1 1 15 15 GLN HG2 H 1 2.50 0.01 . 1 . . . . 15 GLN HG2 . 6757 1 161 . 1 1 15 15 GLN HG3 H 1 2.50 0.01 . 1 . . . . 15 GLN HG3 . 6757 1 162 . 1 1 15 15 GLN HE21 H 1 7.10 0.01 . 2 . . . . 15 GLN HE21 . 6757 1 163 . 1 1 15 15 GLN HE22 H 1 6.57 0.01 . 2 . . . . 15 GLN HE22 . 6757 1 164 . 1 1 15 15 GLN CA C 13 59.59 0.05 . 1 . . . . 15 GLN CA . 6757 1 165 . 1 1 15 15 GLN CB C 13 29.57 0.05 . 1 . . . . 15 GLN CB . 6757 1 166 . 1 1 15 15 GLN CG C 13 34.41 0.05 . 1 . . . . 15 GLN CG . 6757 1 167 . 1 1 16 16 ILE H H 1 8.39 0.01 . 1 . . . . 16 ILE H . 6757 1 168 . 1 1 16 16 ILE HA H 1 3.87 0.01 . 1 . . . . 16 ILE HA . 6757 1 169 . 1 1 16 16 ILE HB H 1 1.90 0.01 . 1 . . . . 16 ILE HB . 6757 1 170 . 1 1 16 16 ILE HG12 H 1 1.17 0.01 . 2 . . . . 16 ILE HG12 . 6757 1 171 . 1 1 16 16 ILE HG13 H 1 1.75 0.01 . 2 . . . . 16 ILE HG13 . 6757 1 172 . 1 1 16 16 ILE HG21 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1 173 . 1 1 16 16 ILE HG22 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1 174 . 1 1 16 16 ILE HG23 H 1 0.94 0.01 . 1 . . . . 16 ILE HG2 . 6757 1 175 . 1 1 16 16 ILE HD11 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1 176 . 1 1 16 16 ILE HD12 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1 177 . 1 1 16 16 ILE HD13 H 1 0.81 0.01 . 1 . . . . 16 ILE HD1 . 6757 1 178 . 1 1 16 16 ILE CA C 13 65.64 0.05 . 1 . . . . 16 ILE CA . 6757 1 179 . 1 1 16 16 ILE CB C 13 39.19 0.05 . 1 . . . . 16 ILE CB . 6757 1 180 . 1 1 16 16 ILE CG1 C 13 29.56 0.01 . 1 . . . . 16 ILE CG1 . 6757 1 181 . 1 1 16 16 ILE CG2 C 13 17.57 0.05 . 1 . . . . 16 ILE CG2 . 6757 1 182 . 1 1 16 16 ILE CD1 C 13 13.32 0.05 . 1 . . . . 16 ILE CD1 . 6757 1 183 . 1 1 17 17 ASN H H 1 8.11 0.01 . 1 . . . . 17 ASN H . 6757 1 184 . 1 1 17 17 ASN HA H 1 4.49 0.01 . 1 . . . . 17 ASN HA . 6757 1 185 . 1 1 17 17 ASN HB2 H 1 2.82 0.03 . 2 . . . . 17 ASN HB2 . 6757 1 186 . 1 1 17 17 ASN HB3 H 1 2.85 0.01 . 1 . . . . 17 ASN HB3 . 6757 1 187 . 1 1 17 17 ASN CA C 13 57.11 0.05 . 1 . . . . 17 ASN CA . 6757 1 188 . 1 1 17 17 ASN CB C 13 39.78 0.05 . 1 . . . . 17 ASN CB . 6757 1 189 . 1 1 18 18 ARG H H 1 8.02 0.01 . 1 . . . . 18 ARG H . 6757 1 190 . 1 1 18 18 ARG HA H 1 4.14 0.01 . 1 . . . . 18 ARG HA . 6757 1 191 . 1 1 18 18 ARG HB2 H 1 2.00 0.01 . 1 . . . . 18 ARG HB2 . 6757 1 192 . 1 1 18 18 ARG HB3 H 1 2.00 0.01 . 1 . . . . 18 ARG HB3 . 6757 1 193 . 1 1 18 18 ARG HG2 H 1 1.72 0.01 . 2 . . . . 18 ARG HG2 . 6757 1 194 . 1 1 18 18 ARG HG3 H 1 1.87 0.01 . 2 . . . . 18 ARG HG3 . 6757 1 195 . 1 1 18 18 ARG HD2 H 1 3.25 0.01 . 1 . . . . 18 ARG HD2 . 6757 1 196 . 1 1 18 18 ARG HD3 H 1 3.25 0.01 . 1 . . . . 18 ARG HD3 . 6757 1 197 . 1 1 18 18 ARG HE H 1 7.28 0.01 . 1 . . . . 18 ARG HE . 6757 1 198 . 1 1 18 18 ARG CA C 13 59.86 0.05 . 1 . . . . 18 ARG CA . 6757 1 199 . 1 1 18 18 ARG CB C 13 31.18 0.05 . 1 . . . . 18 ARG CB . 6757 1 200 . 1 1 18 18 ARG CG C 13 28.40 0.05 . 1 . . . . 18 ARG CG . 6757 1 201 . 1 1 18 18 ARG CD C 13 44.50 0.05 . 1 . . . . 18 ARG CD . 6757 1 202 . 1 1 19 19 GLY H H 1 8.19 0.01 . 1 . . . . 19 GLY H . 6757 1 203 . 1 1 19 19 GLY HA2 H 1 3.94 0.01 . 1 . . . . 19 GLY HA2 . 6757 1 204 . 1 1 19 19 GLY HA3 H 1 3.94 0.01 . 1 . . . . 19 GLY HA3 . 6757 1 205 . 1 1 19 19 GLY CA C 13 47.41 0.05 . 1 . . . . 19 GLY CA . 6757 1 206 . 1 1 20 20 LEU H H 1 8.22 0.01 . 1 . . . . 20 LEU H . 6757 1 207 . 1 1 20 20 LEU HA H 1 4.25 0.01 . 1 . . . . 20 LEU HA . 6757 1 208 . 1 1 20 20 LEU HB2 H 1 1.62 0.01 . 2 . . . . 20 LEU HB2 . 6757 1 209 . 1 1 20 20 LEU HB3 H 1 1.83 0.01 . 2 . . . . 20 LEU HB3 . 6757 1 210 . 1 1 20 20 LEU HG H 1 1.65 0.01 . 1 . . . . 20 LEU HG . 6757 1 211 . 1 1 20 20 LEU HD11 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1 212 . 1 1 20 20 LEU HD12 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1 213 . 1 1 20 20 LEU HD13 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 1 214 . 1 1 20 20 LEU HD21 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1 215 . 1 1 20 20 LEU HD22 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1 216 . 1 1 20 20 LEU HD23 H 1 0.94 0.01 . 1 . . . . 20 LEU HD2 . 6757 1 217 . 1 1 20 20 LEU CA C 13 58.55 0.05 . 1 . . . . 20 LEU CA . 6757 1 218 . 1 1 20 20 LEU CB C 13 42.99 0.05 . 1 . . . . 20 LEU CB . 6757 1 219 . 1 1 20 20 LEU CG C 13 27.88 0.05 . 1 . . . . 20 LEU CG . 6757 1 220 . 1 1 20 20 LEU CD1 C 13 25.23 0.05 . 2 . . . . 20 LEU CD1 . 6757 1 221 . 1 1 20 20 LEU CD2 C 13 23.75 0.05 . 2 . . . . 20 LEU CD2 . 6757 1 222 . 1 1 21 21 LYS H H 1 7.89 0.01 . 1 . . . . 21 LYS H . 6757 1 223 . 1 1 21 21 LYS HA H 1 4.03 0.01 . 1 . . . . 21 LYS HA . 6757 1 224 . 1 1 21 21 LYS HB2 H 1 1.92 0.01 . 1 . . . . 21 LYS HB2 . 6757 1 225 . 1 1 21 21 LYS HB3 H 1 1.92 0.01 . 1 . . . . 21 LYS HB3 . 6757 1 226 . 1 1 21 21 LYS HG2 H 1 1.46 0.01 . 2 . . . . 21 LYS HG2 . 6757 1 227 . 1 1 21 21 LYS HG3 H 1 1.59 0.01 . 2 . . . . 21 LYS HG3 . 6757 1 228 . 1 1 21 21 LYS HD2 H 1 1.70 0.01 . 1 . . . . 21 LYS HD2 . 6757 1 229 . 1 1 21 21 LYS HD3 H 1 1.70 0.01 . 1 . . . . 21 LYS HD3 . 6757 1 230 . 1 1 21 21 LYS HE2 H 1 2.97 0.01 . 1 . . . . 21 LYS HE2 . 6757 1 231 . 1 1 21 21 LYS HE3 H 1 2.97 0.01 . 1 . . . . 21 LYS HE3 . 6757 1 232 . 1 1 21 21 LYS CA C 13 59.97 0.05 . 1 . . . . 21 LYS CA . 6757 1 233 . 1 1 21 21 LYS CB C 13 33.38 0.05 . 1 . . . . 21 LYS CB . 6757 1 234 . 1 1 21 21 LYS CG C 13 26.19 0.05 . 1 . . . . 21 LYS CG . 6757 1 235 . 1 1 21 21 LYS CD C 13 30.18 0.05 . 1 . . . . 21 LYS CD . 6757 1 236 . 1 1 21 21 LYS CE C 13 43.05 0.05 . 1 . . . . 21 LYS CE . 6757 1 237 . 1 1 22 22 LYS H H 1 7.71 0.01 . 1 . . . . 22 LYS H . 6757 1 238 . 1 1 22 22 LYS HA H 1 4.10 0.01 . 1 . . . . 22 LYS HA . 6757 1 239 . 1 1 22 22 LYS HB2 H 1 1.96 0.01 . 1 . . . . 22 LYS HB2 . 6757 1 240 . 1 1 22 22 LYS HB3 H 1 1.96 0.01 . 1 . . . . 22 LYS HB3 . 6757 1 241 . 1 1 22 22 LYS HG2 H 1 1.47 0.01 . 2 . . . . 22 LYS HG2 . 6757 1 242 . 1 1 22 22 LYS HG3 H 1 1.57 0.01 . 2 . . . . 22 LYS HG3 . 6757 1 243 . 1 1 22 22 LYS HD2 H 1 1.72 0.01 . 1 . . . . 22 LYS HD2 . 6757 1 244 . 1 1 22 22 LYS HD3 H 1 1.72 0.01 . 1 . . . . 22 LYS HD3 . 6757 1 245 . 1 1 22 22 LYS HE2 H 1 2.99 0.01 . 1 . . . . 22 LYS HE2 . 6757 1 246 . 1 1 22 22 LYS HE3 H 1 2.99 0.01 . 1 . . . . 22 LYS HE3 . 6757 1 247 . 1 1 22 22 LYS HZ1 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1 248 . 1 1 22 22 LYS HZ2 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1 249 . 1 1 22 22 LYS HZ3 H 1 7.59 0.01 . 1 . . . . 22 LYS HZ . 6757 1 250 . 1 1 22 22 LYS CA C 13 58.83 0.05 . 1 . . . . 22 LYS CA . 6757 1 251 . 1 1 22 22 LYS CB C 13 33.46 0.05 . 1 . . . . 22 LYS CB . 6757 1 252 . 1 1 22 22 LYS CG C 13 25.96 0.05 . 1 . . . . 22 LYS CG . 6757 1 253 . 1 1 22 22 LYS CD C 13 30.18 0.05 . 1 . . . . 22 LYS CD . 6757 1 254 . 1 1 22 22 LYS CE C 13 43.24 0.05 . 1 . . . . 22 LYS CE . 6757 1 255 . 1 1 23 23 ILE H H 1 7.75 0.01 . 1 . . . . 23 ILE H . 6757 1 256 . 1 1 23 23 ILE HA H 1 3.95 0.01 . 1 . . . . 23 ILE HA . 6757 1 257 . 1 1 23 23 ILE HB H 1 2.04 0.01 . 1 . . . . 23 ILE HB . 6757 1 258 . 1 1 23 23 ILE HG12 H 1 1.21 0.01 . 2 . . . . 23 ILE HG12 . 6757 1 259 . 1 1 23 23 ILE HG13 H 1 1.71 0.01 . 2 . . . . 23 ILE HG13 . 6757 1 260 . 1 1 23 23 ILE HG21 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1 261 . 1 1 23 23 ILE HG22 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1 262 . 1 1 23 23 ILE HG23 H 1 0.93 0.01 . 1 . . . . 23 ILE HG2 . 6757 1 263 . 1 1 23 23 ILE HD11 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1 264 . 1 1 23 23 ILE HD12 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1 265 . 1 1 23 23 ILE HD13 H 1 0.89 0.01 . 1 . . . . 23 ILE HD1 . 6757 1 266 . 1 1 23 23 ILE CA C 13 64.55 0.05 . 1 . . . . 23 ILE CA . 6757 1 267 . 1 1 23 23 ILE CB C 13 39.52 0.05 . 1 . . . . 23 ILE CB . 6757 1 268 . 1 1 23 23 ILE CG1 C 13 29.12 0.01 . 1 . . . . 23 ILE CG1 . 6757 1 269 . 1 1 23 23 ILE CG2 C 13 17.57 0.05 . 1 . . . . 23 ILE CG2 . 6757 1 270 . 1 1 23 23 ILE CD1 C 13 13.02 0.05 . 1 . . . . 23 ILE CD1 . 6757 1 271 . 1 1 24 24 VAL H H 1 8.06 0.01 . 1 . . . . 24 VAL H . 6757 1 272 . 1 1 24 24 VAL HA H 1 3.85 0.01 . 1 . . . . 24 VAL HA . 6757 1 273 . 1 1 24 24 VAL HB H 1 2.12 0.01 . 1 . . . . 24 VAL HB . 6757 1 274 . 1 1 24 24 VAL HG11 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1 275 . 1 1 24 24 VAL HG12 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1 276 . 1 1 24 24 VAL HG13 H 1 1.03 0.02 . 1 . . . . 24 VAL HG1 . 6757 1 277 . 1 1 24 24 VAL HG21 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1 278 . 1 1 24 24 VAL HG22 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1 279 . 1 1 24 24 VAL HG23 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 1 280 . 1 1 24 24 VAL CA C 13 65.64 0.05 . 1 . . . . 24 VAL CA . 6757 1 281 . 1 1 24 24 VAL CB C 13 33.26 0.05 . 1 . . . . 24 VAL CB . 6757 1 282 . 1 1 24 24 VAL CG1 C 13 22.83 0.05 . 2 . . . . 24 VAL CG1 . 6757 1 283 . 1 1 24 24 VAL CG2 C 13 21.29 0.05 . 2 . . . . 24 VAL CG2 . 6757 1 284 . 1 1 25 25 LEU H H 1 7.96 0.01 . 1 . . . . 25 LEU H . 6757 1 285 . 1 1 25 25 LEU HA H 1 4.35 0.01 . 1 . . . . 25 LEU HA . 6757 1 286 . 1 1 25 25 LEU HB2 H 1 1.47 0.01 . 2 . . . . 25 LEU HB2 . 6757 1 287 . 1 1 25 25 LEU HB3 H 1 1.72 0.01 . 2 . . . . 25 LEU HB3 . 6757 1 288 . 1 1 25 25 LEU HG H 1 1.74 0.01 . 1 . . . . 25 LEU HG . 6757 1 289 . 1 1 25 25 LEU HD11 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1 290 . 1 1 25 25 LEU HD12 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1 291 . 1 1 25 25 LEU HD13 H 1 0.85 0.01 . 1 . . . . 25 LEU HD1 . 6757 1 292 . 1 1 25 25 LEU HD21 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1 293 . 1 1 25 25 LEU HD22 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1 294 . 1 1 25 25 LEU HD23 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 1 295 . 1 1 25 25 LEU CA C 13 56.64 0.05 . 1 . . . . 25 LEU CA . 6757 1 296 . 1 1 25 25 LEU CB C 13 43.05 0.01 . 1 . . . . 25 LEU CB . 6757 1 297 . 1 1 25 25 LEU CG C 13 27.81 0.05 . 1 . . . . 25 LEU CG . 6757 1 298 . 1 1 25 25 LEU CD1 C 13 25.62 0.05 . 2 . . . . 25 LEU CD1 . 6757 1 299 . 1 1 25 25 LEU CD2 C 13 23.30 0.05 . 2 . . . . 25 LEU CD2 . 6757 1 300 . 1 1 26 26 GLY H H 1 7.78 0.01 . 1 . . . . 26 GLY H . 6757 1 301 . 1 1 26 26 GLY HA2 H 1 3.97 0.01 . 1 . . . . 26 GLY HA2 . 6757 1 302 . 1 1 26 26 GLY HA3 H 1 3.97 0.01 . 1 . . . . 26 GLY HA3 . 6757 1 303 . 1 1 26 26 GLY CA C 13 46.81 0.05 . 1 . . . . 26 GLY CA . 6757 1 304 . 1 1 27 27 TRP H H 1 7.75 0.01 . 1 . . . . 27 TRP H . 6757 1 305 . 1 1 27 27 TRP HA H 1 4.75 0.01 . 1 . . . . 27 TRP HA . 6757 1 306 . 1 1 27 27 TRP HB2 H 1 3.34 0.01 . 1 . . . . 27 TRP HB2 . 6757 1 307 . 1 1 27 27 TRP HB3 H 1 3.34 0.01 . 1 . . . . 27 TRP HB3 . 6757 1 308 . 1 1 27 27 TRP HD1 H 1 7.21 0.01 . 1 . . . . 27 TRP HD1 . 6757 1 309 . 1 1 27 27 TRP HE1 H 1 9.72 0.01 . 1 . . . . 27 TRP HE1 . 6757 1 310 . 1 1 27 27 TRP HE3 H 1 7.63 0.01 . 1 . . . . 27 TRP HE3 . 6757 1 311 . 1 1 27 27 TRP HZ2 H 1 7.47 0.01 . 1 . . . . 27 TRP HZ2 . 6757 1 312 . 1 1 27 27 TRP HZ3 H 1 7.23 0.01 . 1 . . . . 27 TRP HZ3 . 6757 1 313 . 1 1 27 27 TRP HH2 H 1 7.15 0.01 . 1 . . . . 27 TRP HH2 . 6757 1 314 . 1 1 27 27 TRP CB C 13 30.73 0.05 . 1 . . . . 27 TRP CB . 6757 1 315 . 1 1 27 27 TRP CD1 C 13 127.37 0.05 . 1 . . . . 27 TRP CD1 . 6757 1 316 . 1 1 27 27 TRP CE3 C 13 121.67 0.05 . 1 . . . . 27 TRP CE3 . 6757 1 317 . 1 1 27 27 TRP CZ2 C 13 115.26 0.05 . 1 . . . . 27 TRP CZ2 . 6757 1 318 . 1 1 27 27 TRP CZ3 C 13 125.37 0.05 . 1 . . . . 27 TRP CZ3 . 6757 1 319 . 1 1 27 27 TRP CH2 C 13 122.74 0.05 . 1 . . . . 27 TRP CH2 . 6757 1 320 . 1 1 28 28 ALA H H 1 7.75 0.01 . 1 . . . . 28 ALA H . 6757 1 321 . 1 1 28 28 ALA HA H 1 4.33 0.01 . 1 . . . . 28 ALA HA . 6757 1 322 . 1 1 28 28 ALA HB1 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1 323 . 1 1 28 28 ALA HB2 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1 324 . 1 1 28 28 ALA HB3 H 1 1.36 0.01 . 1 . . . . 28 ALA HB . 6757 1 325 . 1 1 28 28 ALA CA C 13 52.70 0.05 . 1 . . . . 28 ALA CA . 6757 1 326 . 1 1 28 28 ALA CB C 13 19.79 0.05 . 1 . . . . 28 ALA CB . 6757 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_chemical_shifts_in_SDS_100_mM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_in_SDS_100_mM _Assigned_chem_shift_list.Entry_ID 6757 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $303K _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _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 4 'TOCSY in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2 5 '1H_13C_HSQC in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2 6 'NOESY in SDS 100 mM' 2 $SDS_100_mM isotropic 6757 2 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 1 $Sparky_3.110 . . 6757 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 SER HA H 1 4.33 0.01 . 1 . . . . 1 SER HA . 6757 2 2 . 1 1 1 1 SER HB2 H 1 4.05 0.01 . 1 . . . . 1 SER HB2 . 6757 2 3 . 1 1 1 1 SER HB3 H 1 4.05 0.01 . 1 . . . . 1 SER HB3 . 6757 2 4 . 1 1 1 1 SER CB C 13 63.51 0.05 . 1 . . . . 1 SER CB . 6757 2 5 . 1 1 2 2 GLY H H 1 8.73 0.01 . 1 . . . . 2 GLY H . 6757 2 6 . 1 1 2 2 GLY HA2 H 1 3.95 0.01 . 1 . . . . 2 GLY HA2 . 6757 2 7 . 1 1 2 2 GLY HA3 H 1 3.95 0.01 . 1 . . . . 2 GLY HA3 . 6757 2 8 . 1 1 2 2 GLY CA C 13 46.37 0.05 . 1 . . . . 2 GLY CA . 6757 2 9 . 1 1 3 3 ASN H H 1 8.22 0.01 . 1 . . . . 3 ASN H . 6757 2 10 . 1 1 3 3 ASN HA H 1 4.69 0.01 . 1 . . . . 3 ASN HA . 6757 2 11 . 1 1 3 3 ASN HB2 H 1 2.80 0.01 . 2 . . . . 3 ASN HB2 . 6757 2 12 . 1 1 3 3 ASN HB3 H 1 2.87 0.01 . 2 . . . . 3 ASN HB3 . 6757 2 13 . 1 1 3 3 ASN HD21 H 1 6.64 0.01 . 2 . . . . 3 ASN HD21 . 6757 2 14 . 1 1 3 3 ASN HD22 H 1 7.46 0.01 . 2 . . . . 3 ASN HD22 . 6757 2 15 . 1 1 3 3 ASN CB C 13 38.90 0.05 . 1 . . . . 3 ASN CB . 6757 2 16 . 1 1 4 4 TYR H H 1 8.09 0.01 . 1 . . . . 4 TYR H . 6757 2 17 . 1 1 4 4 TYR HA H 1 4.27 0.01 . 1 . . . . 4 TYR HA . 6757 2 18 . 1 1 4 4 TYR HB2 H 1 3.04 0.02 . 2 . . . . 4 TYR HB2 . 6757 2 19 . 1 1 4 4 TYR HB3 H 1 3.21 0.01 . 2 . . . . 4 TYR HB3 . 6757 2 20 . 1 1 4 4 TYR HD1 H 1 7.15 0.01 . 1 . . . . 4 TYR HD1 . 6757 2 21 . 1 1 4 4 TYR HD2 H 1 7.15 0.01 . 1 . . . . 4 TYR HD2 . 6757 2 22 . 1 1 4 4 TYR HE1 H 1 6.83 0.02 . 1 . . . . 4 TYR HE1 . 6757 2 23 . 1 1 4 4 TYR HE2 H 1 6.83 0.02 . 1 . . . . 4 TYR HE2 . 6757 2 24 . 1 1 4 4 TYR CB C 13 38.97 0.03 . 1 . . . . 4 TYR CB . 6757 2 25 . 1 1 4 4 TYR CE1 C 13 118.76 0.05 . 1 . . . . 4 TYR CE1 . 6757 2 26 . 1 1 4 4 TYR CE2 C 13 118.76 0.05 . 1 . . . . 4 TYR CE2 . 6757 2 27 . 1 1 5 5 VAL H H 1 8.12 0.01 . 1 . . . . 5 VAL H . 6757 2 28 . 1 1 5 5 VAL HA H 1 3.53 0.01 . 1 . . . . 5 VAL HA . 6757 2 29 . 1 1 5 5 VAL HB H 1 2.24 0.01 . 1 . . . . 5 VAL HB . 6757 2 30 . 1 1 5 5 VAL HG11 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2 31 . 1 1 5 5 VAL HG12 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2 32 . 1 1 5 5 VAL HG13 H 1 1.12 0.01 . 1 . . . . 5 VAL HG1 . 6757 2 33 . 1 1 5 5 VAL HG21 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2 34 . 1 1 5 5 VAL HG22 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2 35 . 1 1 5 5 VAL HG23 H 1 0.94 0.01 . 1 . . . . 5 VAL HG2 . 6757 2 36 . 1 1 5 5 VAL CA C 13 67.15 0.05 . 1 . . . . 5 VAL CA . 6757 2 37 . 1 1 5 5 VAL CB C 13 31.46 0.05 . 1 . . . . 5 VAL CB . 6757 2 38 . 1 1 5 5 VAL CG1 C 13 23.84 0.05 . 2 . . . . 5 VAL CG1 . 6757 2 39 . 1 1 5 5 VAL CG2 C 13 21.98 0.05 . 2 . . . . 5 VAL CG2 . 6757 2 40 . 1 1 6 6 LEU H H 1 7.86 0.01 . 1 . . . . 6 LEU H . 6757 2 41 . 1 1 6 6 LEU HA H 1 3.90 0.01 . 1 . . . . 6 LEU HA . 6757 2 42 . 1 1 6 6 LEU HB2 H 1 1.49 0.01 . 2 . . . . 6 LEU HB2 . 6757 2 43 . 1 1 6 6 LEU HB3 H 1 1.65 0.01 . 2 . . . . 6 LEU HB3 . 6757 2 44 . 1 1 6 6 LEU HG H 1 1.66 0.01 . 1 . . . . 6 LEU HG . 6757 2 45 . 1 1 6 6 LEU HD11 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2 46 . 1 1 6 6 LEU HD12 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2 47 . 1 1 6 6 LEU HD13 H 1 0.92 0.01 . 1 . . . . 6 LEU HD1 . 6757 2 48 . 1 1 6 6 LEU HD21 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2 49 . 1 1 6 6 LEU HD22 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2 50 . 1 1 6 6 LEU HD23 H 1 0.86 0.01 . 1 . . . . 6 LEU HD2 . 6757 2 51 . 1 1 6 6 LEU CA C 13 58.55 0.05 . 1 . . . . 6 LEU CA . 6757 2 52 . 1 1 6 6 LEU CB C 13 41.51 0.03 . 1 . . . . 6 LEU CB . 6757 2 53 . 1 1 6 6 LEU CG C 13 27.50 0.05 . 1 . . . . 6 LEU CG . 6757 2 54 . 1 1 6 6 LEU CD1 C 13 25.26 0.05 . 2 . . . . 6 LEU CD1 . 6757 2 55 . 1 1 6 6 LEU CD2 C 13 24.13 0.05 . 2 . . . . 6 LEU CD2 . 6757 2 56 . 1 1 7 7 ASP H H 1 8.20 0.01 . 1 . . . . 7 ASP H . 6757 2 57 . 1 1 7 7 ASP HA H 1 4.44 0.01 . 1 . . . . 7 ASP HA . 6757 2 58 . 1 1 7 7 ASP HB2 H 1 2.91 0.01 . 2 . . . . 7 ASP HB2 . 6757 2 59 . 1 1 7 7 ASP HB3 H 1 3.05 0.02 . 2 . . . . 7 ASP HB3 . 6757 2 60 . 1 1 7 7 ASP CA C 13 56.91 0.05 . 1 . . . . 7 ASP CA . 6757 2 61 . 1 1 7 7 ASP CB C 13 37.85 0.05 . 1 . . . . 7 ASP CB . 6757 2 62 . 1 1 8 8 LEU H H 1 7.98 0.01 . 1 . . . . 8 LEU H . 6757 2 63 . 1 1 8 8 LEU HA H 1 4.12 0.01 . 1 . . . . 8 LEU HA . 6757 2 64 . 1 1 8 8 LEU HB2 H 1 1.77 0.01 . 1 . . . . 8 LEU HB2 . 6757 2 65 . 1 1 8 8 LEU HB3 H 1 1.77 0.01 . 1 . . . . 8 LEU HB3 . 6757 2 66 . 1 1 8 8 LEU HG H 1 1.60 0.01 . 1 . . . . 8 LEU HG . 6757 2 67 . 1 1 8 8 LEU HD11 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2 68 . 1 1 8 8 LEU HD12 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2 69 . 1 1 8 8 LEU HD13 H 1 0.89 0.01 . 1 . . . . 8 LEU HD1 . 6757 2 70 . 1 1 8 8 LEU HD21 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2 71 . 1 1 8 8 LEU HD22 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2 72 . 1 1 8 8 LEU HD23 H 1 0.89 0.01 . 1 . . . . 8 LEU HD2 . 6757 2 73 . 1 1 8 8 LEU CA C 13 58.61 0.05 . 1 . . . . 8 LEU CA . 6757 2 74 . 1 1 8 8 LEU CB C 13 42.27 0.05 . 1 . . . . 8 LEU CB . 6757 2 75 . 1 1 8 8 LEU CG C 13 27.34 0.05 . 1 . . . . 8 LEU CG . 6757 2 76 . 1 1 8 8 LEU CD1 C 13 25.73 0.05 . 1 . . . . 8 LEU CD1 . 6757 2 77 . 1 1 8 8 LEU CD2 C 13 25.73 0.05 . 1 . . . . 8 LEU CD2 . 6757 2 78 . 1 1 9 9 ILE H H 1 8.28 0.01 . 1 . . . . 9 ILE H . 6757 2 79 . 1 1 9 9 ILE HA H 1 3.60 0.01 . 1 . . . . 9 ILE HA . 6757 2 80 . 1 1 9 9 ILE HB H 1 2.01 0.01 . 1 . . . . 9 ILE HB . 6757 2 81 . 1 1 9 9 ILE HG12 H 1 1.11 0.01 . 2 . . . . 9 ILE HG12 . 6757 2 82 . 1 1 9 9 ILE HG13 H 1 1.83 0.01 . 2 . . . . 9 ILE HG13 . 6757 2 83 . 1 1 9 9 ILE HG21 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2 84 . 1 1 9 9 ILE HG22 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2 85 . 1 1 9 9 ILE HG23 H 1 0.89 0.01 . 1 . . . . 9 ILE HG2 . 6757 2 86 . 1 1 9 9 ILE HD11 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2 87 . 1 1 9 9 ILE HD12 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2 88 . 1 1 9 9 ILE HD13 H 1 0.81 0.01 . 1 . . . . 9 ILE HD1 . 6757 2 89 . 1 1 9 9 ILE CA C 13 65.90 0.05 . 1 . . . . 9 ILE CA . 6757 2 90 . 1 1 9 9 ILE CB C 13 37.86 0.05 . 1 . . . . 9 ILE CB . 6757 2 91 . 1 1 9 9 ILE CG1 C 13 29.47 0.04 . 1 . . . . 9 ILE CG1 . 6757 2 92 . 1 1 9 9 ILE CG2 C 13 17.90 0.05 . 1 . . . . 9 ILE CG2 . 6757 2 93 . 1 1 9 9 ILE CD1 C 13 13.76 0.05 . 1 . . . . 9 ILE CD1 . 6757 2 94 . 1 1 10 10 TYR H H 1 8.57 0.01 . 1 . . . . 10 TYR H . 6757 2 95 . 1 1 10 10 TYR HA H 1 4.29 0.01 . 1 . . . . 10 TYR HA . 6757 2 96 . 1 1 10 10 TYR HB2 H 1 3.20 0.01 . 1 . . . . 10 TYR HB2 . 6757 2 97 . 1 1 10 10 TYR HB3 H 1 3.20 0.01 . 1 . . . . 10 TYR HB3 . 6757 2 98 . 1 1 10 10 TYR HD1 H 1 7.13 0.01 . 1 . . . . 10 TYR HD1 . 6757 2 99 . 1 1 10 10 TYR HD2 H 1 7.13 0.01 . 1 . . . . 10 TYR HD2 . 6757 2 100 . 1 1 10 10 TYR HE1 H 1 6.81 0.01 . 1 . . . . 10 TYR HE1 . 6757 2 101 . 1 1 10 10 TYR HE2 H 1 6.81 0.01 . 1 . . . . 10 TYR HE2 . 6757 2 102 . 1 1 10 10 TYR CA C 13 58.71 0.05 . 1 . . . . 10 TYR CA . 6757 2 103 . 1 1 10 10 TYR CB C 13 38.31 0.05 . 1 . . . . 10 TYR CB . 6757 2 104 . 1 1 10 10 TYR CD1 C 13 133.12 0.05 . 1 . . . . 10 TYR CD1 . 6757 2 105 . 1 1 10 10 TYR CD2 C 13 133.12 0.05 . 1 . . . . 10 TYR CD2 . 6757 2 106 . 1 1 10 10 TYR CE1 C 13 118.59 0.05 . 1 . . . . 10 TYR CE1 . 6757 2 107 . 1 1 10 10 TYR CE2 C 13 118.59 0.05 . 1 . . . . 10 TYR CE2 . 6757 2 108 . 1 1 11 11 SER H H 1 8.26 0.01 . 1 . . . . 11 SER H . 6757 2 109 . 1 1 11 11 SER HA H 1 4.21 0.01 . 1 . . . . 11 SER HA . 6757 2 110 . 1 1 11 11 SER HB2 H 1 4.05 0.01 . 2 . . . . 11 SER HB2 . 6757 2 111 . 1 1 11 11 SER HB3 H 1 4.12 0.01 . 2 . . . . 11 SER HB3 . 6757 2 112 . 1 1 11 11 SER CA C 13 63.59 0.03 . 1 . . . . 11 SER CA . 6757 2 113 . 1 1 12 12 LEU H H 1 8.23 0.01 . 1 . . . . 12 LEU H . 6757 2 114 . 1 1 12 12 LEU HA H 1 4.23 0.01 . 1 . . . . 12 LEU HA . 6757 2 115 . 1 1 12 12 LEU HB2 H 1 1.59 0.01 . 2 . . . . 12 LEU HB2 . 6757 2 116 . 1 1 12 12 LEU HB3 H 1 1.90 0.01 . 2 . . . . 12 LEU HB3 . 6757 2 117 . 1 1 12 12 LEU HG H 1 1.87 0.01 . 1 . . . . 12 LEU HG . 6757 2 118 . 1 1 12 12 LEU HD11 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2 119 . 1 1 12 12 LEU HD12 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2 120 . 1 1 12 12 LEU HD13 H 1 0.89 0.01 . 1 . . . . 12 LEU HD1 . 6757 2 121 . 1 1 12 12 LEU HD21 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2 122 . 1 1 12 12 LEU HD22 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2 123 . 1 1 12 12 LEU HD23 H 1 0.89 0.01 . 1 . . . . 12 LEU HD2 . 6757 2 124 . 1 1 12 12 LEU CA C 13 57.38 0.05 . 1 . . . . 12 LEU CA . 6757 2 125 . 1 1 12 12 LEU CB C 13 42.37 0.05 . 1 . . . . 12 LEU CB . 6757 2 126 . 1 1 12 12 LEU CG C 13 27.08 0.05 . 1 . . . . 12 LEU CG . 6757 2 127 . 1 1 12 12 LEU CD1 C 13 23.49 0.05 . 1 . . . . 12 LEU CD1 . 6757 2 128 . 1 1 12 12 LEU CD2 C 13 23.49 0.05 . 1 . . . . 12 LEU CD2 . 6757 2 129 . 1 1 13 13 HIS H H 1 8.27 0.01 . 1 . . . . 13 HIS H . 6757 2 130 . 1 1 13 13 HIS HA H 1 4.46 0.01 . 1 . . . . 13 HIS HA . 6757 2 131 . 1 1 13 13 HIS HB2 H 1 3.25 0.02 . 2 . . . . 13 HIS HB2 . 6757 2 132 . 1 1 13 13 HIS HB3 H 1 3.46 0.01 . 2 . . . . 13 HIS HB3 . 6757 2 133 . 1 1 13 13 HIS HD2 H 1 7.32 0.01 . 1 . . . . 13 HIS HD2 . 6757 2 134 . 1 1 13 13 HIS HE1 H 1 8.69 0.01 . 1 . . . . 13 HIS HE1 . 6757 2 135 . 1 1 13 13 HIS HE2 H 1 7.29 0.01 . 1 . . . . 13 HIS HE2 . 6757 2 136 . 1 1 13 13 HIS CA C 13 56.51 0.05 . 1 . . . . 13 HIS CA . 6757 2 137 . 1 1 13 13 HIS CB C 13 38.58 0.05 . 1 . . . . 13 HIS CB . 6757 2 138 . 1 1 13 13 HIS CD2 C 13 120.90 0.05 . 1 . . . . 13 HIS CD2 . 6757 2 139 . 1 1 14 14 LYS H H 1 7.90 0.01 . 1 . . . . 14 LYS H . 6757 2 140 . 1 1 14 14 LYS HA H 1 4.01 0.01 . 1 . . . . 14 LYS HA . 6757 2 141 . 1 1 14 14 LYS HB2 H 1 1.80 0.01 . 1 . . . . 14 LYS HB2 . 6757 2 142 . 1 1 14 14 LYS HB3 H 1 1.80 0.01 . 1 . . . . 14 LYS HB3 . 6757 2 143 . 1 1 14 14 LYS HG2 H 1 1.32 0.01 . 1 . . . . 14 LYS HG2 . 6757 2 144 . 1 1 14 14 LYS HG3 H 1 1.32 0.01 . 1 . . . . 14 LYS HG3 . 6757 2 145 . 1 1 14 14 LYS HD2 H 1 1.63 0.01 . 1 . . . . 14 LYS HD2 . 6757 2 146 . 1 1 14 14 LYS HD3 H 1 1.63 0.01 . 1 . . . . 14 LYS HD3 . 6757 2 147 . 1 1 14 14 LYS HE2 H 1 2.97 0.02 . 1 . . . . 14 LYS HE2 . 6757 2 148 . 1 1 14 14 LYS HE3 H 1 2.97 0.02 . 1 . . . . 14 LYS HE3 . 6757 2 149 . 1 1 14 14 LYS HZ1 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2 150 . 1 1 14 14 LYS HZ2 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2 151 . 1 1 14 14 LYS HZ3 H 1 7.49 0.01 . 1 . . . . 14 LYS HZ . 6757 2 152 . 1 1 14 14 LYS CA C 13 58.99 0.05 . 1 . . . . 14 LYS CA . 6757 2 153 . 1 1 14 14 LYS CB C 13 32.62 0.05 . 1 . . . . 14 LYS CB . 6757 2 154 . 1 1 14 14 LYS CG C 13 25.14 0.05 . 1 . . . . 14 LYS CG . 6757 2 155 . 1 1 14 14 LYS CD C 13 29.26 0.05 . 1 . . . . 14 LYS CD . 6757 2 156 . 1 1 14 14 LYS CE C 13 42.52 0.05 . 1 . . . . 14 LYS CE . 6757 2 157 . 1 1 15 15 GLN H H 1 7.93 0.01 . 1 . . . . 15 GLN H . 6757 2 158 . 1 1 15 15 GLN HA H 1 4.27 0.01 . 1 . . . . 15 GLN HA . 6757 2 159 . 1 1 15 15 GLN HB2 H 1 2.10 0.04 . 2 . . . . 15 GLN HB2 . 6757 2 160 . 1 1 15 15 GLN HB3 H 1 2.14 0.03 . 2 . . . . 15 GLN HB3 . 6757 2 161 . 1 1 15 15 GLN HG2 H 1 2.39 0.01 . 2 . . . . 15 GLN HG2 . 6757 2 162 . 1 1 15 15 GLN HG3 H 1 2.44 0.01 . 2 . . . . 15 GLN HG3 . 6757 2 163 . 1 1 15 15 GLN HE21 H 1 7.34 0.01 . 2 . . . . 15 GLN HE21 . 6757 2 164 . 1 1 15 15 GLN HE22 H 1 6.73 0.01 . 2 . . . . 15 GLN HE22 . 6757 2 165 . 1 1 15 15 GLN CA C 13 57.35 0.05 . 1 . . . . 15 GLN CA . 6757 2 166 . 1 1 15 15 GLN CB C 13 29.64 0.03 . 1 . . . . 15 GLN CB . 6757 2 167 . 1 1 15 15 GLN CG C 13 34.07 0.01 . 1 . . . . 15 GLN CG . 6757 2 168 . 1 1 16 16 ILE H H 1 7.95 0.01 . 1 . . . . 16 ILE H . 6757 2 169 . 1 1 16 16 ILE HA H 1 4.03 0.01 . 1 . . . . 16 ILE HA . 6757 2 170 . 1 1 16 16 ILE HB H 1 1.95 0.01 . 1 . . . . 16 ILE HB . 6757 2 171 . 1 1 16 16 ILE HG12 H 1 1.16 0.01 . 2 . . . . 16 ILE HG12 . 6757 2 172 . 1 1 16 16 ILE HG13 H 1 1.63 0.01 . 2 . . . . 16 ILE HG13 . 6757 2 173 . 1 1 16 16 ILE HG21 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2 174 . 1 1 16 16 ILE HG22 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2 175 . 1 1 16 16 ILE HG23 H 1 0.95 0.01 . 1 . . . . 16 ILE HG2 . 6757 2 176 . 1 1 16 16 ILE HD11 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2 177 . 1 1 16 16 ILE HD12 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2 178 . 1 1 16 16 ILE HD13 H 1 0.88 0.02 . 1 . . . . 16 ILE HD1 . 6757 2 179 . 1 1 16 16 ILE CA C 13 63.43 0.05 . 1 . . . . 16 ILE CA . 6757 2 180 . 1 1 16 16 ILE CB C 13 38.75 0.05 . 1 . . . . 16 ILE CB . 6757 2 181 . 1 1 16 16 ILE CG1 C 13 28.27 0.05 . 1 . . . . 16 ILE CG1 . 6757 2 182 . 1 1 16 16 ILE CG2 C 13 17.93 0.05 . 1 . . . . 16 ILE CG2 . 6757 2 183 . 1 1 16 16 ILE CD1 C 13 13.77 0.05 . 1 . . . . 16 ILE CD1 . 6757 2 184 . 1 1 17 17 ASN H H 1 8.19 0.01 . 1 . . . . 17 ASN H . 6757 2 185 . 1 1 17 17 ASN HA H 1 4.63 0.01 . 1 . . . . 17 ASN HA . 6757 2 186 . 1 1 17 17 ASN HB2 H 1 2.71 0.01 . 2 . . . . 17 ASN HB2 . 6757 2 187 . 1 1 17 17 ASN HB3 H 1 2.86 0.01 . 2 . . . . 17 ASN HB3 . 6757 2 188 . 1 1 17 17 ASN HD21 H 1 6.70 0.01 . 2 . . . . 17 ASN HD21 . 6757 2 189 . 1 1 17 17 ASN HD22 H 1 7.49 0.01 . 2 . . . . 17 ASN HD22 . 6757 2 190 . 1 1 17 17 ASN CB C 13 39.15 0.05 . 1 . . . . 17 ASN CB . 6757 2 191 . 1 1 18 18 ARG H H 1 8.10 0.01 . 1 . . . . 18 ARG H . 6757 2 192 . 1 1 18 18 ARG HA H 1 4.33 0.01 . 1 . . . . 18 ARG HA . 6757 2 193 . 1 1 18 18 ARG HB2 H 1 1.84 0.01 . 2 . . . . 18 ARG HB2 . 6757 2 194 . 1 1 18 18 ARG HB3 H 1 2.00 0.01 . 2 . . . . 18 ARG HB3 . 6757 2 195 . 1 1 18 18 ARG HG2 H 1 1.68 0.01 . 2 . . . . 18 ARG HG3 . 6757 2 196 . 1 1 18 18 ARG HG3 H 1 1.74 0.01 . 2 . . . . 18 ARG HG3 . 6757 2 197 . 1 1 18 18 ARG HD2 H 1 3.21 0.01 . 1 . . . . 18 ARG HD2 . 6757 2 198 . 1 1 18 18 ARG HD3 H 1 3.21 0.01 . 1 . . . . 18 ARG HD3 . 6757 2 199 . 1 1 18 18 ARG HE H 1 7.19 0.01 . 1 . . . . 18 ARG HE . 6757 2 200 . 1 1 18 18 ARG CA C 13 57.00 0.05 . 1 . . . . 18 ARG CA . 6757 2 201 . 1 1 18 18 ARG CB C 13 31.02 0.05 . 1 . . . . 18 ARG CB . 6757 2 202 . 1 1 18 18 ARG CG C 13 27.46 0.06 . 1 . . . . 18 ARG CG . 6757 2 203 . 1 1 18 18 ARG CD C 13 43.73 0.05 . 1 . . . . 18 ARG CD . 6757 2 204 . 1 1 19 19 GLY H H 1 8.22 0.01 . 1 . . . . 19 GLY H . 6757 2 205 . 1 1 19 19 GLY HA2 H 1 4.09 0.01 . 1 . . . . 19 GLY HA2 . 6757 2 206 . 1 1 19 19 GLY HA3 H 1 4.09 0.01 . 1 . . . . 19 GLY HA3 . 6757 2 207 . 1 1 19 19 GLY CA C 13 46.51 0.05 . 1 . . . . 19 GLY CA . 6757 2 208 . 1 1 20 20 LEU H H 1 8.26 0.01 . 1 . . . . 20 LEU H . 6757 2 209 . 1 1 20 20 LEU HA H 1 4.08 0.01 . 1 . . . . 20 LEU HA . 6757 2 210 . 1 1 20 20 LEU HB2 H 1 1.56 0.01 . 2 . . . . 20 LEU HB2 . 6757 2 211 . 1 1 20 20 LEU HB3 H 1 1.84 0.01 . 2 . . . . 20 LEU HB3 . 6757 2 212 . 1 1 20 20 LEU HD11 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2 213 . 1 1 20 20 LEU HD12 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2 214 . 1 1 20 20 LEU HD13 H 1 0.94 0.01 . 1 . . . . 20 LEU HD1 . 6757 2 215 . 1 1 20 20 LEU HD21 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2 216 . 1 1 20 20 LEU HD22 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2 217 . 1 1 20 20 LEU HD23 H 1 0.86 0.01 . 1 . . . . 20 LEU HD2 . 6757 2 218 . 1 1 20 20 LEU CA C 13 57.96 0.05 . 1 . . . . 20 LEU CA . 6757 2 219 . 1 1 20 20 LEU CB C 13 42.27 0.02 . 1 . . . . 20 LEU CB . 6757 2 220 . 1 1 20 20 LEU CD1 C 13 25.47 0.05 . 2 . . . . 20 LEU CD1 . 6757 2 221 . 1 1 20 20 LEU CD2 C 13 23.93 0.05 . 2 . . . . 20 LEU CD2 . 6757 2 222 . 1 1 21 21 LYS H H 1 8.23 0.01 . 1 . . . . 21 LYS H . 6757 2 223 . 1 1 21 21 LYS HA H 1 3.86 0.01 . 1 . . . . 21 LYS HA . 6757 2 224 . 1 1 21 21 LYS HB2 H 1 1.87 0.01 . 1 . . . . 21 LYS HB2 . 6757 2 225 . 1 1 21 21 LYS HB3 H 1 1.87 0.01 . 1 . . . . 21 LYS HB3 . 6757 2 226 . 1 1 21 21 LYS HG2 H 1 1.37 0.01 . 2 . . . . 21 LYS HG3 . 6757 2 227 . 1 1 21 21 LYS HG3 H 1 1.49 0.01 . 2 . . . . 21 LYS HG3 . 6757 2 228 . 1 1 21 21 LYS HD2 H 1 1.74 0.01 . 1 . . . . 21 LYS HD2 . 6757 2 229 . 1 1 21 21 LYS HD3 H 1 1.74 0.01 . 1 . . . . 21 LYS HD3 . 6757 2 230 . 1 1 21 21 LYS HE2 H 1 2.98 0.01 . 1 . . . . 21 LYS HE2 . 6757 2 231 . 1 1 21 21 LYS HE3 H 1 2.98 0.01 . 1 . . . . 21 LYS HE3 . 6757 2 232 . 1 1 21 21 LYS HZ1 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2 233 . 1 1 21 21 LYS HZ2 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2 234 . 1 1 21 21 LYS HZ3 H 1 7.49 0.01 . 1 . . . . 21 LYS HZ . 6757 2 235 . 1 1 21 21 LYS CA C 13 60.36 0.05 . 1 . . . . 21 LYS CA . 6757 2 236 . 1 1 21 21 LYS CB C 13 32.54 0.05 . 1 . . . . 21 LYS CB . 6757 2 237 . 1 1 21 21 LYS CG C 13 25.52 0.01 . 1 . . . . 21 LYS CG . 6757 2 238 . 1 1 21 21 LYS CD C 13 29.92 0.05 . 1 . . . . 21 LYS CD . 6757 2 239 . 1 1 21 21 LYS CE C 13 42.52 0.05 . 1 . . . . 21 LYS CE . 6757 2 240 . 1 1 22 22 LYS H H 1 7.58 0.01 . 1 . . . . 22 LYS H . 6757 2 241 . 1 1 22 22 LYS HA H 1 4.01 0.01 . 1 . . . . 22 LYS HA . 6757 2 242 . 1 1 22 22 LYS HB2 H 1 1.90 0.01 . 1 . . . . 22 LYS HB2 . 6757 2 243 . 1 1 22 22 LYS HB3 H 1 1.90 0.01 . 1 . . . . 22 LYS HB3 . 6757 2 244 . 1 1 22 22 LYS HG2 H 1 1.44 0.01 . 2 . . . . 22 LYS HG3 . 6757 2 245 . 1 1 22 22 LYS HG3 H 1 1.50 0.01 . 2 . . . . 22 LYS HG3 . 6757 2 246 . 1 1 22 22 LYS HD2 H 1 1.70 0.01 . 1 . . . . 22 LYS HD2 . 6757 2 247 . 1 1 22 22 LYS HD3 H 1 1.70 0.01 . 1 . . . . 22 LYS HD3 . 6757 2 248 . 1 1 22 22 LYS HE2 H 1 3.00 0.01 . 1 . . . . 22 LYS HE2 . 6757 2 249 . 1 1 22 22 LYS HE3 H 1 3.00 0.01 . 1 . . . . 22 LYS HE3 . 6757 2 250 . 1 1 22 22 LYS HZ1 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2 251 . 1 1 22 22 LYS HZ2 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2 252 . 1 1 22 22 LYS HZ3 H 1 7.47 0.01 . 1 . . . . 22 LYS HZ . 6757 2 253 . 1 1 22 22 LYS CA C 13 58.99 0.05 . 1 . . . . 22 LYS CA . 6757 2 254 . 1 1 22 22 LYS CB C 13 32.60 0.05 . 1 . . . . 22 LYS CB . 6757 2 255 . 1 1 22 22 LYS CG C 13 25.47 0.01 . 1 . . . . 22 LYS CG . 6757 2 256 . 1 1 22 22 LYS CD C 13 29.67 0.05 . 1 . . . . 22 LYS CD . 6757 2 257 . 1 1 22 22 LYS CE C 13 42.52 0.05 . 1 . . . . 22 LYS CE . 6757 2 258 . 1 1 23 23 ILE H H 1 7.63 0.01 . 1 . . . . 23 ILE H . 6757 2 259 . 1 1 23 23 ILE HA H 1 3.83 0.01 . 1 . . . . 23 ILE HA . 6757 2 260 . 1 1 23 23 ILE HB H 1 1.96 0.01 . 1 . . . . 23 ILE HB . 6757 2 261 . 1 1 23 23 ILE HG12 H 1 1.22 0.01 . 2 . . . . 23 ILE HG12 . 6757 2 262 . 1 1 23 23 ILE HG13 H 1 1.67 0.02 . 2 . . . . 23 ILE HG13 . 6757 2 263 . 1 1 23 23 ILE HG21 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2 264 . 1 1 23 23 ILE HG22 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2 265 . 1 1 23 23 ILE HG23 H 1 0.83 0.01 . 1 . . . . 23 ILE HG2 . 6757 2 266 . 1 1 23 23 ILE HD11 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2 267 . 1 1 23 23 ILE HD12 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2 268 . 1 1 23 23 ILE HD13 H 1 0.87 0.01 . 1 . . . . 23 ILE HD1 . 6757 2 269 . 1 1 23 23 ILE CA C 13 64.21 0.05 . 1 . . . . 23 ILE CA . 6757 2 270 . 1 1 23 23 ILE CB C 13 38.75 0.05 . 1 . . . . 23 ILE CB . 6757 2 271 . 1 1 23 23 ILE CG1 C 13 28.76 0.01 . 1 . . . . 23 ILE CG1 . 6757 2 272 . 1 1 23 23 ILE CG2 C 13 17.56 0.05 . 1 . . . . 23 ILE CG2 . 6757 2 273 . 1 1 23 23 ILE CD1 C 13 13.77 0.05 . 1 . . . . 23 ILE CD1 . 6757 2 274 . 1 1 24 24 VAL H H 1 7.92 0.01 . 1 . . . . 24 VAL H . 6757 2 275 . 1 1 24 24 VAL HA H 1 3.63 0.01 . 1 . . . . 24 VAL HA . 6757 2 276 . 1 1 24 24 VAL HB H 1 2.10 0.01 . 1 . . . . 24 VAL HB . 6757 2 277 . 1 1 24 24 VAL HG11 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2 278 . 1 1 24 24 VAL HG12 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2 279 . 1 1 24 24 VAL HG13 H 1 0.98 0.01 . 1 . . . . 24 VAL HG1 . 6757 2 280 . 1 1 24 24 VAL HG21 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2 281 . 1 1 24 24 VAL HG22 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2 282 . 1 1 24 24 VAL HG23 H 1 0.97 0.02 . 1 . . . . 24 VAL HG2 . 6757 2 283 . 1 1 24 24 VAL CA C 13 65.90 0.05 . 1 . . . . 24 VAL CA . 6757 2 284 . 1 1 24 24 VAL CB C 13 32.16 0.05 . 1 . . . . 24 VAL CB . 6757 2 285 . 1 1 24 24 VAL CG1 C 13 22.46 0.05 . 2 . . . . 24 VAL CG1 . 6757 2 286 . 1 1 24 24 VAL CG2 C 13 21.98 0.05 . 2 . . . . 24 VAL CG2 . 6757 2 287 . 1 1 25 25 LEU H H 1 8.07 0.01 . 1 . . . . 25 LEU H . 6757 2 288 . 1 1 25 25 LEU HA H 1 4.18 0.01 . 1 . . . . 25 LEU HA . 6757 2 289 . 1 1 25 25 LEU HB2 H 1 1.52 0.01 . 2 . . . . 25 LEU HB2 . 6757 2 290 . 1 1 25 25 LEU HB3 H 1 1.78 0.01 . 2 . . . . 25 LEU HB3 . 6757 2 291 . 1 1 25 25 LEU HG H 1 1.75 0.01 . 1 . . . . 25 LEU HG . 6757 2 292 . 1 1 25 25 LEU HD11 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2 293 . 1 1 25 25 LEU HD12 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2 294 . 1 1 25 25 LEU HD13 H 1 0.89 0.01 . 1 . . . . 25 LEU HD1 . 6757 2 295 . 1 1 25 25 LEU HD21 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2 296 . 1 1 25 25 LEU HD22 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2 297 . 1 1 25 25 LEU HD23 H 1 0.89 0.01 . 1 . . . . 25 LEU HD2 . 6757 2 298 . 1 1 25 25 LEU CA C 13 57.14 0.05 . 1 . . . . 25 LEU CA . 6757 2 299 . 1 1 25 25 LEU CB C 13 41.78 0.03 . 1 . . . . 25 LEU CB . 6757 2 300 . 1 1 25 25 LEU CG C 13 27.59 0.05 . 1 . . . . 25 LEU CG . 6757 2 301 . 1 1 25 25 LEU CD1 C 13 24.96 0.05 . 1 . . . . 25 LEU CD1 . 6757 2 302 . 1 1 25 25 LEU CD2 C 13 24.96 0.05 . 1 . . . . 25 LEU CD2 . 6757 2 303 . 1 1 26 26 GLY H H 1 7.76 0.01 . 1 . . . . 26 GLY H . 6757 2 304 . 1 1 26 26 GLY HA2 H 1 3.84 0.01 . 2 . . . . 26 GLY HA2 . 6757 2 305 . 1 1 26 26 GLY HA3 H 1 3.99 0.02 . 2 . . . . 26 GLY HA3 . 6757 2 306 . 1 1 26 26 GLY CA C 13 46.42 0.01 . 1 . . . . 26 GLY CA . 6757 2 307 . 1 1 27 27 TRP H H 1 7.68 0.01 . 1 . . . . 27 TRP H . 6757 2 308 . 1 1 27 27 TRP HA H 1 4.63 0.01 . 1 . . . . 27 TRP HA . 6757 2 309 . 1 1 27 27 TRP HB2 H 1 3.36 0.01 . 1 . . . . 27 TRP HB2 . 6757 2 310 . 1 1 27 27 TRP HB3 H 1 3.36 0.01 . 1 . . . . 27 TRP HB3 . 6757 2 311 . 1 1 27 27 TRP HD1 H 1 7.25 0.01 . 1 . . . . 27 TRP HD1 . 6757 2 312 . 1 1 27 27 TRP HE1 H 1 9.85 0.01 . 1 . . . . 27 TRP HE1 . 6757 2 313 . 1 1 27 27 TRP HE3 H 1 7.47 0.07 . 1 . . . . 27 TRP HE3 . 6757 2 314 . 1 1 27 27 TRP HZ2 H 1 7.48 0.09 . 1 . . . . 27 TRP HZ2 . 6757 2 315 . 1 1 27 27 TRP HZ3 H 1 6.99 0.01 . 1 . . . . 27 TRP HZ3 . 6757 2 316 . 1 1 27 27 TRP HH2 H 1 7.08 0.01 . 1 . . . . 27 TRP HH2 . 6757 2 317 . 1 1 27 27 TRP CB C 13 30.51 0.05 . 1 . . . . 27 TRP CB . 6757 2 318 . 1 1 27 27 TRP CD1 C 13 126.67 0.05 . 1 . . . . 27 TRP CD1 . 6757 2 319 . 1 1 27 27 TRP CE3 C 13 120.95 0.05 . 1 . . . . 27 TRP CE3 . 6757 2 320 . 1 1 27 27 TRP CZ2 C 13 114.71 0.05 . 1 . . . . 27 TRP CZ2 . 6757 2 321 . 1 1 27 27 TRP CZ3 C 13 121.69 0.05 . 1 . . . . 27 TRP CZ3 . 6757 2 322 . 1 1 27 27 TRP CH2 C 13 124.36 0.05 . 1 . . . . 27 TRP CH2 . 6757 2 323 . 1 1 28 28 ALA H H 1 7.84 0.01 . 1 . . . . 28 ALA H . 6757 2 324 . 1 1 28 28 ALA HA H 1 4.17 0.01 . 1 . . . . 28 ALA HA . 6757 2 325 . 1 1 28 28 ALA HB1 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2 326 . 1 1 28 28 ALA HB2 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2 327 . 1 1 28 28 ALA HB3 H 1 1.40 0.01 . 1 . . . . 28 ALA HB . 6757 2 328 . 1 1 28 28 ALA CA C 13 52.10 0.05 . 1 . . . . 28 ALA CA . 6757 2 329 . 1 1 28 28 ALA CB C 13 19.45 0.05 . 1 . . . . 28 ALA CB . 6757 2 stop_ save_