################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16122 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _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 '2D 1H-1H NOESY' . . . 16122 1 3 '2D 1H-13C HSQC' . . . 16122 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 . . 16122 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 4.27 0.01 . 1 . . . . 1 SER HA . 16122 1 2 . 1 1 1 1 SER HB2 H 1 4.16 0.01 . 1 . . . . 1 SER HB2 . 16122 1 3 . 1 1 1 1 SER HB3 H 1 4.16 0.01 . 1 . . . . 1 SER HB3 . 16122 1 4 . 1 1 1 1 SER CA C 13 58.13 0.01 . 1 . . . . 1 SER CA . 16122 1 5 . 1 1 2 2 ASP H H 1 8.88 0.01 . 1 . . . . 2 ASP H . 16122 1 6 . 1 1 2 2 ASP HA H 1 4.89 0.01 . 1 . . . . 2 ASP HA . 16122 1 7 . 1 1 2 2 ASP HB2 H 1 3.03 0.01 . 1 . . . . 2 ASP HB2 . 16122 1 8 . 1 1 2 2 ASP HB3 H 1 3.03 0.01 . 1 . . . . 2 ASP HB3 . 16122 1 9 . 1 1 2 2 ASP CA C 13 54.33 0.01 . 1 . . . . 2 ASP CA . 16122 1 10 . 1 1 2 2 ASP CB C 13 38.96 0.01 . 1 . . . . 2 ASP CB . 16122 1 11 . 1 1 3 3 ALA H H 1 8.37 0.01 . 1 . . . . 3 ALA H . 16122 1 12 . 1 1 3 3 ALA HA H 1 4.12 0.01 . 1 . . . . 3 ALA HA . 16122 1 13 . 1 1 3 3 ALA HB1 H 1 1.49 0.01 . 1 . . . . 3 ALA MB . 16122 1 14 . 1 1 3 3 ALA HB2 H 1 1.49 0.01 . 1 . . . . 3 ALA MB . 16122 1 15 . 1 1 3 3 ALA HB3 H 1 1.49 0.01 . 1 . . . . 3 ALA MB . 16122 1 16 . 1 1 3 3 ALA CA C 13 55.88 0.01 . 1 . . . . 3 ALA CA . 16122 1 17 . 1 1 3 3 ALA CB C 13 18.94 0.01 . 1 . . . . 3 ALA CB . 16122 1 18 . 1 1 4 4 ALA H H 1 8.02 0.01 . 1 . . . . 4 ALA H . 16122 1 19 . 1 1 4 4 ALA HA H 1 4.14 0.01 . 1 . . . . 4 ALA HA . 16122 1 20 . 1 1 4 4 ALA HB1 H 1 1.50 0.01 . 1 . . . . 4 ALA MB . 16122 1 21 . 1 1 4 4 ALA HB2 H 1 1.50 0.01 . 1 . . . . 4 ALA MB . 16122 1 22 . 1 1 4 4 ALA HB3 H 1 1.50 0.01 . 1 . . . . 4 ALA MB . 16122 1 23 . 1 1 4 4 ALA CA C 13 56.01 0.01 . 1 . . . . 4 ALA CA . 16122 1 24 . 1 1 4 4 ALA CB C 13 18.64 0.01 . 1 . . . . 4 ALA CB . 16122 1 25 . 1 1 5 5 ALA H H 1 7.80 0.01 . 1 . . . . 5 ALA H . 16122 1 26 . 1 1 5 5 ALA HA H 1 4.15 0.01 . 1 . . . . 5 ALA HA . 16122 1 27 . 1 1 5 5 ALA HB1 H 1 1.56 0.01 . 1 . . . . 5 ALA MB . 16122 1 28 . 1 1 5 5 ALA HB2 H 1 1.56 0.01 . 1 . . . . 5 ALA MB . 16122 1 29 . 1 1 5 5 ALA HB3 H 1 1.56 0.01 . 1 . . . . 5 ALA MB . 16122 1 30 . 1 1 5 5 ALA CA C 13 56.34 0.01 . 1 . . . . 5 ALA CA . 16122 1 31 . 1 1 5 5 ALA CB C 13 18.77 0.01 . 1 . . . . 5 ALA CB . 16122 1 32 . 1 1 6 6 ARG H H 1 7.74 0.01 . 1 . . . . 6 ARG H . 16122 1 33 . 1 1 6 6 ARG HA H 1 4.15 0.01 . 1 . . . . 6 ARG HA . 16122 1 34 . 1 1 6 6 ARG HB2 H 1 2.02 0.01 . 1 . . . . 6 ARG HB2 . 16122 1 35 . 1 1 6 6 ARG HB3 H 1 2.02 0.01 . 1 . . . . 6 ARG HB3 . 16122 1 36 . 1 1 6 6 ARG HD2 H 1 3.23 0.01 . 1 . . . . 6 ARG HD2 . 16122 1 37 . 1 1 6 6 ARG HD3 H 1 3.23 0.01 . 1 . . . . 6 ARG HD3 . 16122 1 38 . 1 1 6 6 ARG HE H 1 7.11 0.01 . 1 . . . . 6 ARG HE . 16122 1 39 . 1 1 6 6 ARG HG2 H 1 1.82 0.01 . 2 . . . . 6 ARG HG2 . 16122 1 40 . 1 1 6 6 ARG HG3 H 1 1.71 0.01 . 2 . . . . 6 ARG HG3 . 16122 1 41 . 1 1 6 6 ARG CA C 13 60.24 0.01 . 1 . . . . 6 ARG CA . 16122 1 42 . 1 1 6 6 ARG CB C 13 30.85 0.01 . 1 . . . . 6 ARG CB . 16122 1 43 . 1 1 6 6 ARG CD C 13 44.18 0.01 . 1 . . . . 6 ARG CD . 16122 1 44 . 1 1 6 6 ARG CG C 13 28.39 0.01 . 1 . . . . 6 ARG CG . 16122 1 45 . 1 1 7 7 VAL H H 1 8.22 0.01 . 1 . . . . 7 VAL H . 16122 1 46 . 1 1 7 7 VAL HA H 1 3.70 0.01 . 1 . . . . 7 VAL HA . 16122 1 47 . 1 1 7 7 VAL HB H 1 2.17 0.01 . 1 . . . . 7 VAL HB . 16122 1 48 . 1 1 7 7 VAL HG11 H 1 1.11 0.01 . 2 . . . . 7 VAL MG1 . 16122 1 49 . 1 1 7 7 VAL HG12 H 1 1.11 0.01 . 2 . . . . 7 VAL MG1 . 16122 1 50 . 1 1 7 7 VAL HG13 H 1 1.11 0.01 . 2 . . . . 7 VAL MG1 . 16122 1 51 . 1 1 7 7 VAL HG21 H 1 1.01 0.01 . 2 . . . . 7 VAL MG2 . 16122 1 52 . 1 1 7 7 VAL HG22 H 1 1.01 0.01 . 2 . . . . 7 VAL MG2 . 16122 1 53 . 1 1 7 7 VAL HG23 H 1 1.01 0.01 . 2 . . . . 7 VAL MG2 . 16122 1 54 . 1 1 7 7 VAL CA C 13 67.98 0.01 . 1 . . . . 7 VAL CA . 16122 1 55 . 1 1 7 7 VAL CB C 13 32.82 0.01 . 1 . . . . 7 VAL CB . 16122 1 56 . 1 1 7 7 VAL CG1 C 13 21.43 0.01 . 2 . . . . 7 VAL CG1 . 16122 1 57 . 1 1 7 7 VAL CG2 C 13 22.90 0.01 . 2 . . . . 7 VAL CG2 . 16122 1 58 . 1 1 8 8 THR H H 1 8.09 0.01 . 1 . . . . 8 THR H . 16122 1 59 . 1 1 8 8 THR HA H 1 3.94 0.01 . 1 . . . . 8 THR HA . 16122 1 60 . 1 1 8 8 THR HB H 1 4.33 0.01 . 1 . . . . 8 THR HB . 16122 1 61 . 1 1 8 8 THR HG21 H 1 1.31 0.01 . 1 . . . . 8 THR MG . 16122 1 62 . 1 1 8 8 THR HG22 H 1 1.31 0.01 . 1 . . . . 8 THR MG . 16122 1 63 . 1 1 8 8 THR HG23 H 1 1.31 0.01 . 1 . . . . 8 THR MG . 16122 1 64 . 1 1 8 8 THR CA C 13 68.08 0.01 . 1 . . . . 8 THR CA . 16122 1 65 . 1 1 8 8 THR CB C 13 69.77 0.01 . 1 . . . . 8 THR CB . 16122 1 66 . 1 1 8 8 THR CG2 C 13 21.76 0.01 . 1 . . . . 8 THR CG2 . 16122 1 67 . 1 1 9 9 ALA H H 1 8.07 0.01 . 1 . . . . 9 ALA H . 16122 1 68 . 1 1 9 9 ALA HA H 1 4.16 0.01 . 1 . . . . 9 ALA HA . 16122 1 69 . 1 1 9 9 ALA HB1 H 1 1.64 0.01 . 1 . . . . 9 ALA MB . 16122 1 70 . 1 1 9 9 ALA HB2 H 1 1.64 0.01 . 1 . . . . 9 ALA MB . 16122 1 71 . 1 1 9 9 ALA HB3 H 1 1.64 0.01 . 1 . . . . 9 ALA MB . 16122 1 72 . 1 1 9 9 ALA CA C 13 56.88 0.01 . 1 . . . . 9 ALA CA . 16122 1 73 . 1 1 9 9 ALA CB C 13 18.54 0.01 . 1 . . . . 9 ALA CB . 16122 1 74 . 1 1 10 10 ILE H H 1 8.25 0.01 . 1 . . . . 10 ILE H . 16122 1 75 . 1 1 10 10 ILE HA H 1 3.74 0.01 . 1 . . . . 10 ILE HA . 16122 1 76 . 1 1 10 10 ILE HB H 1 2.06 0.01 . 1 . . . . 10 ILE HB . 16122 1 77 . 1 1 10 10 ILE HD11 H 1 0.90 0.01 . 1 . . . . 10 ILE MD . 16122 1 78 . 1 1 10 10 ILE HD12 H 1 0.90 0.01 . 1 . . . . 10 ILE MD . 16122 1 79 . 1 1 10 10 ILE HD13 H 1 0.90 0.01 . 1 . . . . 10 ILE MD . 16122 1 80 . 1 1 10 10 ILE HG12 H 1 1.91 0.01 . 2 . . . . 10 ILE HG12 . 16122 1 81 . 1 1 10 10 ILE HG13 H 1 1.17 0.01 . 2 . . . . 10 ILE HG13 . 16122 1 82 . 1 1 10 10 ILE HG21 H 1 0.97 0.01 . 1 . . . . 10 ILE MG . 16122 1 83 . 1 1 10 10 ILE HG22 H 1 0.97 0.01 . 1 . . . . 10 ILE MG . 16122 1 84 . 1 1 10 10 ILE HG23 H 1 0.97 0.01 . 1 . . . . 10 ILE MG . 16122 1 85 . 1 1 10 10 ILE CA C 13 66.59 0.01 . 1 . . . . 10 ILE CA . 16122 1 86 . 1 1 10 10 ILE CB C 13 39.23 0.01 . 1 . . . . 10 ILE CB . 16122 1 87 . 1 1 10 10 ILE CD1 C 13 13.55 0.01 . 1 . . . . 10 ILE CD1 . 16122 1 88 . 1 1 10 10 ILE CG1 C 13 29.67 0.01 . 1 . . . . 10 ILE CG1 . 16122 1 89 . 1 1 10 10 ILE CG2 C 13 17.21 0.01 . 1 . . . . 10 ILE CG2 . 16122 1 90 . 1 1 11 11 LEU H H 1 8.85 0.01 . 1 . . . . 11 LEU H . 16122 1 91 . 1 1 11 11 LEU HA H 1 4.18 0.01 . 1 . . . . 11 LEU HA . 16122 1 92 . 1 1 11 11 LEU HB2 H 1 1.95 0.01 . 2 . . . . 11 LEU HB2 . 16122 1 93 . 1 1 11 11 LEU HB3 H 1 1.55 0.01 . 2 . . . . 11 LEU HB3 . 16122 1 94 . 1 1 11 11 LEU CA C 13 59.38 0.01 . 1 . . . . 11 LEU CA . 16122 1 95 . 1 1 11 11 LEU CB C 13 42.46 0.01 . 1 . . . . 11 LEU CB . 16122 1 96 . 1 1 12 12 SER H H 1 8.69 0.01 . 1 . . . . 12 SER H . 16122 1 97 . 1 1 12 12 SER HA H 1 4.26 0.01 . 1 . . . . 12 SER HA . 16122 1 98 . 1 1 12 12 SER CA C 13 63.61 0.01 . 1 . . . . 12 SER CA . 16122 1 99 . 1 1 13 13 SER H H 1 8.01 0.01 . 1 . . . . 13 SER H . 16122 1 100 . 1 1 13 13 SER HA H 1 4.31 0.01 . 1 . . . . 13 SER HA . 16122 1 101 . 1 1 13 13 SER CA C 13 63.36 0.01 . 1 . . . . 13 SER CA . 16122 1 102 . 1 1 14 14 LEU H H 1 8.67 0.01 . 1 . . . . 14 LEU H . 16122 1 103 . 1 1 14 14 LEU HA H 1 4.15 0.01 . 1 . . . . 14 LEU HA . 16122 1 104 . 1 1 14 14 LEU HB2 H 1 2.01 0.01 . 2 . . . . 14 LEU HB2 . 16122 1 105 . 1 1 14 14 LEU HB3 H 1 1.64 0.01 . 2 . . . . 14 LEU HB3 . 16122 1 106 . 1 1 14 14 LEU CA C 13 59.38 0.01 . 1 . . . . 14 LEU CA . 16122 1 107 . 1 1 14 14 LEU CB C 13 43.03 0.01 . 1 . . . . 14 LEU CB . 16122 1 108 . 1 1 15 15 THR H H 1 8.10 0.01 . 1 . . . . 15 THR H . 16122 1 109 . 1 1 15 15 THR HA H 1 3.96 0.01 . 1 . . . . 15 THR HA . 16122 1 110 . 1 1 15 15 THR HB H 1 4.49 0.01 . 1 . . . . 15 THR HB . 16122 1 111 . 1 1 15 15 THR HG21 H 1 1.30 0.01 . 1 . . . . 15 THR MG . 16122 1 112 . 1 1 15 15 THR HG22 H 1 1.30 0.01 . 1 . . . . 15 THR MG . 16122 1 113 . 1 1 15 15 THR HG23 H 1 1.30 0.01 . 1 . . . . 15 THR MG . 16122 1 114 . 1 1 15 15 THR CA C 13 68.38 0.01 . 1 . . . . 15 THR CA . 16122 1 115 . 1 1 15 15 THR CB C 13 69.88 0.01 . 1 . . . . 15 THR CB . 16122 1 116 . 1 1 15 15 THR CG2 C 13 21.19 0.01 . 1 . . . . 15 THR CG2 . 16122 1 117 . 1 1 16 16 VAL H H 1 8.41 0.01 . 1 . . . . 16 VAL H . 16122 1 118 . 1 1 16 16 VAL HA H 1 3.75 0.01 . 1 . . . . 16 VAL HA . 16122 1 119 . 1 1 16 16 VAL HB H 1 2.22 0.01 . 1 . . . . 16 VAL HB . 16122 1 120 . 1 1 16 16 VAL HG11 H 1 1.15 0.01 . 2 . . . . 16 VAL MG1 . 16122 1 121 . 1 1 16 16 VAL HG12 H 1 1.15 0.01 . 2 . . . . 16 VAL MG1 . 16122 1 122 . 1 1 16 16 VAL HG13 H 1 1.15 0.01 . 2 . . . . 16 VAL MG1 . 16122 1 123 . 1 1 16 16 VAL HG21 H 1 1.05 0.01 . 2 . . . . 16 VAL MG2 . 16122 1 124 . 1 1 16 16 VAL HG22 H 1 1.05 0.01 . 2 . . . . 16 VAL MG2 . 16122 1 125 . 1 1 16 16 VAL HG23 H 1 1.05 0.01 . 2 . . . . 16 VAL MG2 . 16122 1 126 . 1 1 16 16 VAL CA C 13 68.19 0.01 . 1 . . . . 16 VAL CA . 16122 1 127 . 1 1 16 16 VAL CB C 13 32.82 0.01 . 1 . . . . 16 VAL CB . 16122 1 128 . 1 1 16 16 VAL CG1 C 13 23.25 0.01 . 2 . . . . 16 VAL CG1 . 16122 1 129 . 1 1 16 16 VAL CG2 C 13 21.56 0.01 . 2 . . . . 16 VAL CG2 . 16122 1 130 . 1 1 17 17 THR H H 1 8.05 0.01 . 1 . . . . 17 THR H . 16122 1 131 . 1 1 17 17 THR HA H 1 3.95 0.01 . 1 . . . . 17 THR HA . 16122 1 132 . 1 1 17 17 THR HB H 1 4.37 0.01 . 1 . . . . 17 THR HB . 16122 1 133 . 1 1 17 17 THR HG21 H 1 1.34 0.01 . 1 . . . . 17 THR MG . 16122 1 134 . 1 1 17 17 THR HG22 H 1 1.34 0.01 . 1 . . . . 17 THR MG . 16122 1 135 . 1 1 17 17 THR HG23 H 1 1.34 0.01 . 1 . . . . 17 THR MG . 16122 1 136 . 1 1 17 17 THR CA C 13 68.28 0.01 . 1 . . . . 17 THR CA . 16122 1 137 . 1 1 17 17 THR CB C 13 69.88 0.01 . 1 . . . . 17 THR CB . 16122 1 138 . 1 1 17 17 THR CG2 C 13 21.83 0.01 . 1 . . . . 17 THR CG2 . 16122 1 139 . 1 1 18 18 GLN H H 1 7.92 0.01 . 1 . . . . 18 GLN H . 16122 1 140 . 1 1 18 18 GLN HA H 1 4.12 0.01 . 1 . . . . 18 GLN HA . 16122 1 141 . 1 1 18 18 GLN HB2 H 1 2.38 0.01 . 2 . . . . 18 GLN HB2 . 16122 1 142 . 1 1 18 18 GLN HB3 H 1 2.23 0.01 . 2 . . . . 18 GLN HB3 . 16122 1 143 . 1 1 18 18 GLN HE21 H 1 7.04 0.01 . 2 . . . . 18 GLN HE21 . 16122 1 144 . 1 1 18 18 GLN HE22 H 1 6.59 0.01 . 2 . . . . 18 GLN HE22 . 16122 1 145 . 1 1 18 18 GLN HG2 H 1 2.61 0.01 . 2 . . . . 18 GLN HG2 . 16122 1 146 . 1 1 18 18 GLN HG3 H 1 2.51 0.01 . 2 . . . . 18 GLN HG3 . 16122 1 147 . 1 1 18 18 GLN CA C 13 59.46 0.01 . 1 . . . . 18 GLN CA . 16122 1 148 . 1 1 18 18 GLN CB C 13 29.47 0.01 . 1 . . . . 18 GLN CB . 16122 1 149 . 1 1 18 18 GLN CG C 13 35.07 0.01 . 1 . . . . 18 GLN CG . 16122 1 150 . 1 1 19 19 LEU H H 1 8.21 0.01 . 1 . . . . 19 LEU H . 16122 1 151 . 1 1 19 19 LEU HA H 1 4.16 0.01 . 1 . . . . 19 LEU HA . 16122 1 152 . 1 1 19 19 LEU HB2 H 1 1.89 0.01 . 1 . . . . 19 LEU HB2 . 16122 1 153 . 1 1 19 19 LEU HB3 H 1 1.89 0.01 . 1 . . . . 19 LEU HB3 . 16122 1 154 . 1 1 19 19 LEU HG H 1 1.78 0.01 . 1 . . . . 19 LEU HG . 16122 1 155 . 1 1 19 19 LEU CA C 13 59.40 0.01 . 1 . . . . 19 LEU CA . 16122 1 156 . 1 1 19 19 LEU CB C 13 42.60 0.01 . 1 . . . . 19 LEU CB . 16122 1 157 . 1 1 19 19 LEU CG C 13 27.85 0.01 . 1 . . . . 19 LEU CG . 16122 1 158 . 1 1 20 20 LEU H H 1 8.69 0.01 . 1 . . . . 20 LEU H . 16122 1 159 . 1 1 20 20 LEU HA H 1 4.17 0.01 . 1 . . . . 20 LEU HA . 16122 1 160 . 1 1 20 20 LEU HB2 H 1 2.04 0.01 . 2 . . . . 20 LEU HB2 . 16122 1 161 . 1 1 20 20 LEU HB3 H 1 1.50 0.01 . 2 . . . . 20 LEU HB3 . 16122 1 162 . 1 1 20 20 LEU CA C 13 59.43 0.01 . 1 . . . . 20 LEU CA . 16122 1 163 . 1 1 20 20 LEU CB C 13 42.57 0.01 . 1 . . . . 20 LEU CB . 16122 1 164 . 1 1 21 21 ARG H H 1 8.21 0.01 . 1 . . . . 21 ARG H . 16122 1 165 . 1 1 21 21 ARG HA H 1 4.10 0.01 . 1 . . . . 21 ARG HA . 16122 1 166 . 1 1 21 21 ARG HB2 H 1 2.05 0.01 . 1 . . . . 21 ARG HB2 . 16122 1 167 . 1 1 21 21 ARG HB3 H 1 2.05 0.01 . 1 . . . . 21 ARG HB3 . 16122 1 168 . 1 1 21 21 ARG HD2 H 1 3.21 0.01 . 1 . . . . 21 ARG HD2 . 16122 1 169 . 1 1 21 21 ARG HD3 H 1 3.21 0.01 . 1 . . . . 21 ARG HD3 . 16122 1 170 . 1 1 21 21 ARG HE H 1 7.14 0.01 . 1 . . . . 21 ARG HE . 16122 1 171 . 1 1 21 21 ARG HG2 H 1 2.00 0.01 . 2 . . . . 21 ARG HG2 . 16122 1 172 . 1 1 21 21 ARG HG3 H 1 1.69 0.01 . 2 . . . . 21 ARG HG3 . 16122 1 173 . 1 1 21 21 ARG CA C 13 61.00 0.01 . 1 . . . . 21 ARG CA . 16122 1 174 . 1 1 21 21 ARG CB C 13 30.65 0.01 . 1 . . . . 21 ARG CB . 16122 1 175 . 1 1 21 21 ARG CD C 13 44.29 0.01 . 1 . . . . 21 ARG CD . 16122 1 176 . 1 1 21 21 ARG CG C 13 28.65 0.01 . 1 . . . . 21 ARG CG . 16122 1 177 . 1 1 22 22 ARG H H 1 8.11 0.01 . 1 . . . . 22 ARG H . 16122 1 178 . 1 1 22 22 ARG HA H 1 4.15 0.01 . 1 . . . . 22 ARG HA . 16122 1 179 . 1 1 22 22 ARG HB2 H 1 2.04 0.01 . 2 . . . . 22 ARG HB2 . 16122 1 180 . 1 1 22 22 ARG HB3 H 1 2.02 0.01 . 2 . . . . 22 ARG HB3 . 16122 1 181 . 1 1 22 22 ARG HD2 H 1 3.21 0.01 . 1 . . . . 22 ARG HD2 . 16122 1 182 . 1 1 22 22 ARG HD3 H 1 3.21 0.01 . 1 . . . . 22 ARG HD3 . 16122 1 183 . 1 1 22 22 ARG HE H 1 7.15 0.01 . 1 . . . . 22 ARG HE . 16122 1 184 . 1 1 22 22 ARG HG2 H 1 1.87 0.01 . 2 . . . . 22 ARG HG2 . 16122 1 185 . 1 1 22 22 ARG HG3 H 1 1.68 0.01 . 2 . . . . 22 ARG HG3 . 16122 1 186 . 1 1 22 22 ARG CA C 13 60.24 0.01 . 1 . . . . 22 ARG CA . 16122 1 187 . 1 1 22 22 ARG CB C 13 30.70 0.01 . 1 . . . . 22 ARG CB . 16122 1 188 . 1 1 22 22 ARG CD C 13 44.28 0.01 . 1 . . . . 22 ARG CD . 16122 1 189 . 1 1 22 22 ARG CG C 13 28.32 0.01 . 1 . . . . 22 ARG CG . 16122 1 190 . 1 1 23 23 LEU H H 1 8.72 0.01 . 1 . . . . 23 LEU H . 16122 1 191 . 1 1 23 23 LEU HA H 1 4.29 0.01 . 1 . . . . 23 LEU HA . 16122 1 192 . 1 1 23 23 LEU HB2 H 1 1.90 0.01 . 2 . . . . 23 LEU HB2 . 16122 1 193 . 1 1 23 23 LEU HB3 H 1 1.77 0.01 . 2 . . . . 23 LEU HB3 . 16122 1 194 . 1 1 23 23 LEU HD11 H 1 0.94 0.01 . 2 . . . . 23 LEU MD1 . 16122 1 195 . 1 1 23 23 LEU HD12 H 1 0.94 0.01 . 2 . . . . 23 LEU MD1 . 16122 1 196 . 1 1 23 23 LEU HD13 H 1 0.94 0.01 . 2 . . . . 23 LEU MD1 . 16122 1 197 . 1 1 23 23 LEU HD21 H 1 0.94 0.01 . 2 . . . . 23 LEU MD2 . 16122 1 198 . 1 1 23 23 LEU HD22 H 1 0.94 0.01 . 2 . . . . 23 LEU MD2 . 16122 1 199 . 1 1 23 23 LEU HD23 H 1 0.94 0.01 . 2 . . . . 23 LEU MD2 . 16122 1 200 . 1 1 23 23 LEU CA C 13 59.06 0.01 . 1 . . . . 23 LEU CA . 16122 1 201 . 1 1 23 23 LEU CB C 13 42.90 0.01 . 1 . . . . 23 LEU CB . 16122 1 202 . 1 1 24 24 HIS H H 1 8.46 0.01 . 1 . . . . 24 HIS H . 16122 1 203 . 1 1 24 24 HIS HA H 1 4.34 0.01 . 1 . . . . 24 HIS HA . 16122 1 204 . 1 1 24 24 HIS HB2 H 1 3.42 0.01 . 1 . . . . 24 HIS HB2 . 16122 1 205 . 1 1 24 24 HIS HB3 H 1 3.42 0.01 . 1 . . . . 24 HIS HB3 . 16122 1 206 . 1 1 24 24 HIS HD2 H 1 7.32 0.01 . 1 . . . . 24 HIS HD2 . 16122 1 207 . 1 1 24 24 HIS HE1 H 1 8.51 0.01 . 1 . . . . 24 HIS HE1 . 16122 1 208 . 1 1 24 24 HIS CA C 13 60.06 0.01 . 1 . . . . 24 HIS CA . 16122 1 209 . 1 1 24 24 HIS CB C 13 28.86 0.01 . 1 . . . . 24 HIS CB . 16122 1 210 . 1 1 24 24 HIS CD2 C 13 120.78 0.01 . 1 . . . . 24 HIS CD2 . 16122 1 211 . 1 1 24 24 HIS CE1 C 13 136.74 0.01 . 1 . . . . 24 HIS CE1 . 16122 1 212 . 1 1 25 25 GLN H H 1 8.22 0.01 . 1 . . . . 25 GLN H . 16122 1 213 . 1 1 25 25 GLN HA H 1 4.09 0.01 . 1 . . . . 25 GLN HA . 16122 1 214 . 1 1 25 25 GLN HB2 H 1 2.31 0.01 . 2 . . . . 25 GLN HB2 . 16122 1 215 . 1 1 25 25 GLN HB3 H 1 2.26 0.01 . 2 . . . . 25 GLN HB3 . 16122 1 216 . 1 1 25 25 GLN HG2 H 1 2.51 0.01 . 2 . . . . 25 GLN HG2 . 16122 1 217 . 1 1 25 25 GLN HG3 H 1 2.42 0.01 . 2 . . . . 25 GLN HG3 . 16122 1 218 . 1 1 25 25 GLN CA C 13 59.51 0.01 . 1 . . . . 25 GLN CA . 16122 1 219 . 1 1 25 25 GLN CB C 13 29.43 0.01 . 1 . . . . 25 GLN CB . 16122 1 220 . 1 1 25 25 GLN CG C 13 34.65 0.01 . 1 . . . . 25 GLN CG . 16122 1 221 . 1 1 26 26 TRP H H 1 8.34 0.01 . 1 . . . . 26 TRP H . 16122 1 222 . 1 1 26 26 TRP HA H 1 4.57 0.01 . 1 . . . . 26 TRP HA . 16122 1 223 . 1 1 26 26 TRP HB2 H 1 3.53 0.01 . 2 . . . . 26 TRP HB2 . 16122 1 224 . 1 1 26 26 TRP HB3 H 1 3.44 0.01 . 2 . . . . 26 TRP HB3 . 16122 1 225 . 1 1 26 26 TRP HD1 H 1 7.21 0.01 . 1 . . . . 26 TRP HD1 . 16122 1 226 . 1 1 26 26 TRP HE1 H 1 9.71 0.01 . 1 . . . . 26 TRP HE1 . 16122 1 227 . 1 1 26 26 TRP HE3 H 1 7.66 0.01 . 1 . . . . 26 TRP HE3 . 16122 1 228 . 1 1 26 26 TRP HH2 H 1 7.22 0.01 . 1 . . . . 26 TRP HH2 . 16122 1 229 . 1 1 26 26 TRP HZ2 H 1 7.46 0.01 . 1 . . . . 26 TRP HZ2 . 16122 1 230 . 1 1 26 26 TRP HZ3 H 1 7.14 0.01 . 1 . . . . 26 TRP HZ3 . 16122 1 231 . 1 1 26 26 TRP CA C 13 60.51 0.01 . 1 . . . . 26 TRP CA . 16122 1 232 . 1 1 26 26 TRP CB C 13 30.21 0.01 . 1 . . . . 26 TRP CB . 16122 1 233 . 1 1 26 26 TRP CD1 C 13 127.13 0.01 . 1 . . . . 26 TRP CD1 . 16122 1 234 . 1 1 26 26 TRP CE3 C 13 121.61 0.01 . 1 . . . . 26 TRP CE3 . 16122 1 235 . 1 1 26 26 TRP CH2 C 13 125.38 0.01 . 1 . . . . 26 TRP CH2 . 16122 1 236 . 1 1 26 26 TRP CZ2 C 13 115.17 0.01 . 1 . . . . 26 TRP CZ2 . 16122 1 237 . 1 1 26 26 TRP CZ3 C 13 122.67 0.01 . 1 . . . . 26 TRP CZ3 . 16122 1 238 . 1 1 27 27 ILE H H 1 8.27 0.01 . 1 . . . . 27 ILE H . 16122 1 239 . 1 1 27 27 ILE HA H 1 3.88 0.01 . 1 . . . . 27 ILE HA . 16122 1 240 . 1 1 27 27 ILE HB H 1 1.92 0.01 . 1 . . . . 27 ILE HB . 16122 1 241 . 1 1 27 27 ILE HD11 H 1 0.88 0.01 . 1 . . . . 27 ILE MD . 16122 1 242 . 1 1 27 27 ILE HD12 H 1 0.88 0.01 . 1 . . . . 27 ILE MD . 16122 1 243 . 1 1 27 27 ILE HD13 H 1 0.88 0.01 . 1 . . . . 27 ILE MD . 16122 1 244 . 1 1 27 27 ILE HG12 H 1 1.65 0.01 . 2 . . . . 27 ILE HG12 . 16122 1 245 . 1 1 27 27 ILE HG13 H 1 1.29 0.01 . 2 . . . . 27 ILE HG13 . 16122 1 246 . 1 1 27 27 ILE HG21 H 1 0.96 0.01 . 1 . . . . 27 ILE MG . 16122 1 247 . 1 1 27 27 ILE HG22 H 1 0.96 0.01 . 1 . . . . 27 ILE MG . 16122 1 248 . 1 1 27 27 ILE HG23 H 1 0.96 0.01 . 1 . . . . 27 ILE MG . 16122 1 249 . 1 1 27 27 ILE CA C 13 64.20 0.01 . 1 . . . . 27 ILE CA . 16122 1 250 . 1 1 27 27 ILE CB C 13 39.54 0.01 . 1 . . . . 27 ILE CB . 16122 1 251 . 1 1 27 27 ILE CD1 C 13 13.59 0.01 . 1 . . . . 27 ILE CD1 . 16122 1 252 . 1 1 27 27 ILE CG1 C 13 28.91 0.01 . 1 . . . . 27 ILE CG1 . 16122 1 253 . 1 1 27 27 ILE CG2 C 13 17.81 0.01 . 1 . . . . 27 ILE CG2 . 16122 1 254 . 1 1 28 28 SER H H 1 7.72 0.01 . 1 . . . . 28 SER H . 16122 1 255 . 1 1 28 28 SER HA H 1 4.32 0.01 . 1 . . . . 28 SER HA . 16122 1 256 . 1 1 28 28 SER HB2 H 1 3.92 0.01 . 2 . . . . 28 SER HB2 . 16122 1 257 . 1 1 28 28 SER HB3 H 1 3.82 0.01 . 2 . . . . 28 SER HB3 . 16122 1 258 . 1 1 28 28 SER CA C 13 60.23 0.01 . 1 . . . . 28 SER CA . 16122 1 259 . 1 1 28 28 SER CB C 13 64.92 0.01 . 1 . . . . 28 SER CB . 16122 1 stop_ save_