################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34639 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 34639 1 2 '2D 1H-1H TOCSY' . . . 34639 1 3 '2D 1H-13C HSQC' . . . 34639 1 4 '2D 1H-15N HSQC' . . . 34639 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 GLY HA2 H 1 4.049 0.001 . . . . . . M 1 GLY HA2 . 34639 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.021 0.001 . . . . . . M 1 GLY HA3 . 34639 1 3 . 1 . 1 2 2 ILE H H 1 8.591 0.002 . 1 . . . . M 2 ILE H . 34639 1 4 . 1 . 1 2 2 ILE HA H 1 4.167 0.001 . 1 . . . . M 2 ILE HA . 34639 1 5 . 1 . 1 2 2 ILE HB H 1 1.936 0.002 . 1 . . . . M 2 ILE HB . 34639 1 6 . 1 . 1 2 2 ILE HG12 H 1 1.554 0.001 . . . . . . M 2 ILE HG12 . 34639 1 7 . 1 . 1 2 2 ILE HG13 H 1 1.340 0.000 . . . . . . M 2 ILE HG13 . 34639 1 8 . 1 . 1 2 2 ILE HG21 H 1 1.017 0.002 . 1 . . . . M 2 ILE HG21 . 34639 1 9 . 1 . 1 2 2 ILE HG22 H 1 1.017 0.002 . 1 . . . . M 2 ILE HG22 . 34639 1 10 . 1 . 1 2 2 ILE HG23 H 1 1.017 0.002 . 1 . . . . M 2 ILE HG23 . 34639 1 11 . 1 . 1 2 2 ILE HD11 H 1 0.951 0.000 . 1 . . . . M 2 ILE HD11 . 34639 1 12 . 1 . 1 2 2 ILE HD12 H 1 0.951 0.000 . 1 . . . . M 2 ILE HD12 . 34639 1 13 . 1 . 1 2 2 ILE HD13 H 1 0.951 0.000 . 1 . . . . M 2 ILE HD13 . 34639 1 14 . 1 . 1 3 3 GLY H H 1 8.531 0.001 . 1 . . . . M 3 GLY H . 34639 1 15 . 1 . 1 3 3 GLY HA2 H 1 3.958 0.007 . . . . . . M 3 GLY HA2 . 34639 1 16 . 1 . 1 3 3 GLY HA3 H 1 3.918 0.002 . . . . . . M 3 GLY HA3 . 34639 1 17 . 1 . 1 4 4 THR H H 1 7.785 0.002 . 1 . . . . M 4 THR H . 34639 1 18 . 1 . 1 4 4 THR HA H 1 4.295 0.002 . 1 . . . . M 4 THR HA . 34639 1 19 . 1 . 1 4 4 THR HB H 1 4.085 0.003 . 1 . . . . M 4 THR HB . 34639 1 20 . 1 . 1 4 4 THR HG21 H 1 1.325 0.001 . 2 . . . . M 4 THR HG21 . 34639 1 21 . 1 . 1 4 4 THR HG22 H 1 1.325 0.001 . 2 . . . . M 4 THR HG22 . 34639 1 22 . 1 . 1 4 4 THR HG23 H 1 1.325 0.001 . 2 . . . . M 4 THR HG23 . 34639 1 23 . 1 . 1 5 5 LYS H H 1 7.832 0.001 . 1 . . . . M 5 LYS H . 34639 1 24 . 1 . 1 5 5 LYS HA H 1 4.224 0.005 . 1 . . . . M 5 LYS HA . 34639 1 25 . 1 . 1 5 5 LYS HB2 H 1 2.008 0.002 . 2 . . . . M 5 LYS HB2 . 34639 1 26 . 1 . 1 5 5 LYS HB3 H 1 2.008 0.002 . 2 . . . . M 5 LYS HB3 . 34639 1 27 . 1 . 1 5 5 LYS HG2 H 1 1.589 0.003 . . . . . . M 5 LYS HG2 . 34639 1 28 . 1 . 1 5 5 LYS HG3 H 1 1.495 0.004 . . . . . . M 5 LYS HG3 . 34639 1 29 . 1 . 1 5 5 LYS HD2 H 1 1.744 0.010 . 2 . . . . M 5 LYS HD2 . 34639 1 30 . 1 . 1 5 5 LYS HD3 H 1 1.744 0.010 . 2 . . . . M 5 LYS HD3 . 34639 1 31 . 1 . 1 5 5 LYS HE2 H 1 3.021 0.000 . 2 . . . . M 5 LYS HE2 . 34639 1 32 . 1 . 1 5 5 LYS HE3 H 1 3.021 0.000 . 2 . . . . M 5 LYS HE3 . 34639 1 33 . 1 . 1 6 6 ILE H H 1 8.172 0.001 . 1 . . . . M 6 ILE H . 34639 1 34 . 1 . 1 6 6 ILE HA H 1 4.204 0.006 . 1 . . . . M 6 ILE HA . 34639 1 35 . 1 . 1 6 6 ILE HB H 1 1.818 0.001 . 1 . . . . M 6 ILE HB . 34639 1 36 . 1 . 1 6 6 ILE HG12 H 1 0.918 0.009 . 2 . . . . M 6 ILE HG12 . 34639 1 37 . 1 . 1 6 6 ILE HG13 H 1 0.918 0.009 . 2 . . . . M 6 ILE HG13 . 34639 1 38 . 1 . 1 6 6 ILE HG21 H 1 1.658 0.006 . 1 . . . . M 6 ILE HG21 . 34639 1 39 . 1 . 1 6 6 ILE HG22 H 1 1.658 0.006 . 1 . . . . M 6 ILE HG22 . 34639 1 40 . 1 . 1 6 6 ILE HG23 H 1 1.658 0.006 . 1 . . . . M 6 ILE HG23 . 34639 1 41 . 1 . 1 6 6 ILE HD11 H 1 0.898 0.000 . 1 . . . . M 6 ILE HD11 . 34639 1 42 . 1 . 1 6 6 ILE HD12 H 1 0.898 0.000 . 1 . . . . M 6 ILE HD12 . 34639 1 43 . 1 . 1 6 6 ILE HD13 H 1 0.898 0.000 . 1 . . . . M 6 ILE HD13 . 34639 1 44 . 1 . 1 7 7 LEU H H 1 7.945 0.003 . 1 . . . . M 7 LEU H . 34639 1 45 . 1 . 1 7 7 LEU HA H 1 3.950 0.007 . 1 . . . . M 7 LEU HA . 34639 1 46 . 1 . 1 7 7 LEU HB2 H 1 2.002 0.010 . 2 . . . . M 7 LEU HB2 . 34639 1 47 . 1 . 1 7 7 LEU HB3 H 1 2.002 0.010 . 2 . . . . M 7 LEU HB3 . 34639 1 48 . 1 . 1 7 7 LEU HG H 1 1.691 0.006 . 1 . . . . M 7 LEU HG . 34639 1 49 . 1 . 1 7 7 LEU HD11 H 1 1.240 0.002 . . . . . . M 7 LEU HD11 . 34639 1 50 . 1 . 1 7 7 LEU HD12 H 1 1.240 0.002 . . . . . . M 7 LEU HD12 . 34639 1 51 . 1 . 1 7 7 LEU HD13 H 1 1.240 0.002 . . . . . . M 7 LEU HD13 . 34639 1 52 . 1 . 1 7 7 LEU HD21 H 1 0.959 0.003 . . . . . . M 7 LEU HD21 . 34639 1 53 . 1 . 1 7 7 LEU HD22 H 1 0.959 0.003 . . . . . . M 7 LEU HD22 . 34639 1 54 . 1 . 1 7 7 LEU HD23 H 1 0.959 0.003 . . . . . . M 7 LEU HD23 . 34639 1 55 . 1 . 1 8 8 GLY H H 1 8.171 0.001 . 1 . . . . M 8 GLY H . 34639 1 56 . 1 . 1 8 8 GLY HA2 H 1 3.981 0.006 . . . . . . M 8 GLY HA2 . 34639 1 57 . 1 . 1 8 8 GLY HA3 H 1 3.903 0.014 . . . . . . M 8 GLY HA3 . 34639 1 58 . 1 . 1 9 9 GLY H H 1 8.115 0.002 . 1 . . . . M 9 GLY H . 34639 1 59 . 1 . 1 9 9 GLY HA2 H 1 3.992 0.002 . 2 . . . . M 9 GLY HA2 . 34639 1 60 . 1 . 1 9 9 GLY HA3 H 1 3.992 0.002 . 2 . . . . M 9 GLY HA3 . 34639 1 61 . 1 . 1 10 10 VAL H H 1 8.236 0.004 . 1 . . . . M 10 VAL H . 34639 1 62 . 1 . 1 10 10 VAL HA H 1 3.779 0.002 . 1 . . . . M 10 VAL HA . 34639 1 63 . 1 . 1 10 10 VAL HB H 1 2.270 0.002 . 1 . . . . M 10 VAL HB . 34639 1 64 . 1 . 1 10 10 VAL HG11 H 1 1.112 0.001 . . . . . . M 10 VAL HG11 . 34639 1 65 . 1 . 1 10 10 VAL HG12 H 1 1.112 0.001 . . . . . . M 10 VAL HG12 . 34639 1 66 . 1 . 1 10 10 VAL HG13 H 1 1.112 0.001 . . . . . . M 10 VAL HG13 . 34639 1 67 . 1 . 1 10 10 VAL HG21 H 1 1.002 0.002 . . . . . . M 10 VAL HG21 . 34639 1 68 . 1 . 1 10 10 VAL HG22 H 1 1.002 0.002 . . . . . . M 10 VAL HG22 . 34639 1 69 . 1 . 1 10 10 VAL HG23 H 1 1.002 0.002 . . . . . . M 10 VAL HG23 . 34639 1 70 . 1 . 1 11 11 LYS H H 1 8.386 0.002 . 1 . . . . M 11 LYS H . 34639 1 71 . 1 . 1 11 11 LYS HA H 1 4.024 0.002 . 1 . . . . M 11 LYS HA . 34639 1 72 . 1 . 1 11 11 LYS HB2 H 1 2.003 0.004 . . . . . . M 11 LYS HB2 . 34639 1 73 . 1 . 1 11 11 LYS HB3 H 1 1.942 0.002 . . . . . . M 11 LYS HB3 . 34639 1 74 . 1 . 1 11 11 LYS HG2 H 1 1.485 0.002 . 2 . . . . M 11 LYS HG2 . 34639 1 75 . 1 . 1 11 11 LYS HG3 H 1 1.485 0.002 . 2 . . . . M 11 LYS HG3 . 34639 1 76 . 1 . 1 11 11 LYS HD2 H 1 1.736 0.006 . . . . . . M 11 LYS HD2 . 34639 1 77 . 1 . 1 11 11 LYS HD3 H 1 1.736 0.006 . . . . . . M 11 LYS HD3 . 34639 1 78 . 1 . 1 11 11 LYS HE2 H 1 2.990 0.000 . 2 . . . . M 11 LYS HE2 . 34639 1 79 . 1 . 1 11 11 LYS HE3 H 1 2.990 0.000 . 2 . . . . M 11 LYS HE3 . 34639 1 80 . 1 . 1 12 12 THR H H 1 7.887 0.001 . 1 . . . . M 12 THR H . 34639 1 81 . 1 . 1 12 12 THR HA H 1 4.414 0.008 . 1 . . . . M 12 THR HA . 34639 1 82 . 1 . 1 12 12 THR HB H 1 3.968 0.001 . 1 . . . . M 12 THR HB . 34639 1 83 . 1 . 1 12 12 THR HG21 H 1 1.318 0.002 . 2 . . . . M 12 THR HG21 . 34639 1 84 . 1 . 1 12 12 THR HG22 H 1 1.318 0.002 . 2 . . . . M 12 THR HG22 . 34639 1 85 . 1 . 1 12 12 THR HG23 H 1 1.318 0.002 . 2 . . . . M 12 THR HG23 . 34639 1 86 . 1 . 1 13 13 ALA H H 1 8.112 0.002 . 1 . . . . M 13 ALA H . 34639 1 87 . 1 . 1 13 13 ALA HA H 1 4.205 0.002 . 1 . . . . M 13 ALA HA . 34639 1 88 . 1 . 1 13 13 ALA HB1 H 1 1.584 0.001 . 1 . . . . M 13 ALA HB1 . 34639 1 89 . 1 . 1 13 13 ALA HB2 H 1 1.584 0.001 . 1 . . . . M 13 ALA HB2 . 34639 1 90 . 1 . 1 13 13 ALA HB3 H 1 1.584 0.001 . 1 . . . . M 13 ALA HB3 . 34639 1 91 . 1 . 1 14 14 LEU H H 1 8.524 0.007 . 1 . . . . M 14 LEU H . 34639 1 92 . 1 . 1 14 14 LEU HA H 1 4.192 0.008 . 1 . . . . M 14 LEU HA . 34639 1 93 . 1 . 1 14 14 LEU HB2 H 1 1.857 0.002 . 2 . . . . M 14 LEU HB2 . 34639 1 94 . 1 . 1 14 14 LEU HB3 H 1 1.857 0.002 . 2 . . . . M 14 LEU HB3 . 34639 1 95 . 1 . 1 14 14 LEU HG H 1 1.670 0.001 . 1 . . . . M 14 LEU HG . 34639 1 96 . 1 . 1 14 14 LEU HD11 H 1 1.018 0.002 . 2 . . . . M 14 LEU HD11 . 34639 1 97 . 1 . 1 14 14 LEU HD12 H 1 1.018 0.002 . 2 . . . . M 14 LEU HD12 . 34639 1 98 . 1 . 1 14 14 LEU HD13 H 1 1.018 0.002 . 2 . . . . M 14 LEU HD13 . 34639 1 99 . 1 . 1 14 14 LEU HD21 H 1 1.018 0.002 . 2 . . . . M 14 LEU HD21 . 34639 1 100 . 1 . 1 14 14 LEU HD22 H 1 1.018 0.002 . 2 . . . . M 14 LEU HD22 . 34639 1 101 . 1 . 1 14 14 LEU HD23 H 1 1.018 0.002 . 2 . . . . M 14 LEU HD23 . 34639 1 102 . 1 . 1 15 15 LYS H H 1 8.091 0.001 . 1 . . . . M 15 LYS H . 34639 1 103 . 1 . 1 15 15 LYS HA H 1 4.039 0.003 . 1 . . . . M 15 LYS HA . 34639 1 104 . 1 . 1 15 15 LYS HB2 H 1 2.024 0.006 . . . . . . M 15 LYS HB2 . 34639 1 105 . 1 . 1 15 15 LYS HB3 H 1 1.979 0.003 . . . . . . M 15 LYS HB3 . 34639 1 106 . 1 . 1 15 15 LYS HG2 H 1 1.507 0.005 . 2 . . . . M 15 LYS HG2 . 34639 1 107 . 1 . 1 15 15 LYS HG3 H 1 1.507 0.005 . 2 . . . . M 15 LYS HG3 . 34639 1 108 . 1 . 1 15 15 LYS HD2 H 1 1.738 0.000 . 2 . . . . M 15 LYS HD2 . 34639 1 109 . 1 . 1 15 15 LYS HD3 H 1 1.738 0.000 . 2 . . . . M 15 LYS HD3 . 34639 1 110 . 1 . 1 15 15 LYS HE2 H 1 3.010 0.002 . 2 . . . . M 15 LYS HE2 . 34639 1 111 . 1 . 1 15 15 LYS HE3 H 1 3.010 0.002 . 2 . . . . M 15 LYS HE3 . 34639 1 112 . 1 . 1 16 16 GLY H H 1 8.078 0.003 . 1 . . . . M 16 GLY H . 34639 1 113 . 1 . 1 16 16 GLY HA2 H 1 3.924 0.004 . 2 . . . . M 16 GLY HA2 . 34639 1 114 . 1 . 1 16 16 GLY HA3 H 1 3.924 0.004 . 2 . . . . M 16 GLY HA3 . 34639 1 115 . 1 . 1 17 17 ALA H H 1 8.116 0.002 . 1 . . . . M 17 ALA H . 34639 1 116 . 1 . 1 17 17 ALA HA H 1 4.248 0.003 . 1 . . . . M 17 ALA HA . 34639 1 117 . 1 . 1 17 17 ALA HB1 H 1 1.580 0.003 . 1 . . . . M 17 ALA HB1 . 34639 1 118 . 1 . 1 17 17 ALA HB2 H 1 1.580 0.003 . 1 . . . . M 17 ALA HB2 . 34639 1 119 . 1 . 1 17 17 ALA HB3 H 1 1.580 0.003 . 1 . . . . M 17 ALA HB3 . 34639 1 120 . 1 . 1 18 18 LEU H H 1 7.991 0.001 . 1 . . . . M 18 LEU H . 34639 1 121 . 1 . 1 18 18 LEU HA H 1 4.080 0.004 . 1 . . . . M 18 LEU HA . 34639 1 122 . 1 . 1 18 18 LEU HB2 H 1 2.030 0.003 . . . . . . M 18 LEU HB2 . 34639 1 123 . 1 . 1 18 18 LEU HB3 H 1 1.610 0.002 . . . . . . M 18 LEU HB3 . 34639 1 124 . 1 . 1 18 18 LEU HG H 1 1.502 0.002 . 1 . . . . M 18 LEU HG . 34639 1 125 . 1 . 1 18 18 LEU HD11 H 1 0.919 0.006 . 2 . . . . M 18 LEU HD11 . 34639 1 126 . 1 . 1 18 18 LEU HD12 H 1 0.919 0.006 . 2 . . . . M 18 LEU HD12 . 34639 1 127 . 1 . 1 18 18 LEU HD13 H 1 0.919 0.006 . 2 . . . . M 18 LEU HD13 . 34639 1 128 . 1 . 1 18 18 LEU HD21 H 1 0.919 0.006 . 2 . . . . M 18 LEU HD21 . 34639 1 129 . 1 . 1 18 18 LEU HD22 H 1 0.919 0.006 . 2 . . . . M 18 LEU HD22 . 34639 1 130 . 1 . 1 18 18 LEU HD23 H 1 0.919 0.006 . 2 . . . . M 18 LEU HD23 . 34639 1 131 . 1 . 1 19 19 LYS H H 1 8.378 0.001 . 1 . . . . M 19 LYS H . 34639 1 132 . 1 . 1 19 19 LYS HA H 1 4.175 0.003 . 1 . . . . M 19 LYS HA . 34639 1 133 . 1 . 1 19 19 LYS HB2 H 1 1.916 0.001 . 2 . . . . M 19 LYS HB2 . 34639 1 134 . 1 . 1 19 19 LYS HB3 H 1 1.916 0.001 . 2 . . . . M 19 LYS HB3 . 34639 1 135 . 1 . 1 19 19 LYS HG2 H 1 1.617 0.002 . 2 . . . . M 19 LYS HG2 . 34639 1 136 . 1 . 1 19 19 LYS HG3 H 1 1.617 0.002 . 2 . . . . M 19 LYS HG3 . 34639 1 137 . 1 . 1 19 19 LYS HD2 H 1 1.729 0.000 . 2 . . . . M 19 LYS HD2 . 34639 1 138 . 1 . 1 19 19 LYS HD3 H 1 1.729 0.000 . 2 . . . . M 19 LYS HD3 . 34639 1 139 . 1 . 1 20 20 GLU H H 1 8.041 0.001 . 1 . . . . M 20 GLU H . 34639 1 140 . 1 . 1 20 20 GLU HA H 1 4.158 0.006 . 1 . . . . M 20 GLU HA . 34639 1 141 . 1 . 1 20 20 GLU HB2 H 1 2.308 0.004 . . . . . . M 20 GLU HB2 . 34639 1 142 . 1 . 1 20 20 GLU HB3 H 1 2.266 0.003 . . . . . . M 20 GLU HB3 . 34639 1 143 . 1 . 1 20 20 GLU HG2 H 1 2.557 0.002 . . . . . . M 20 GLU HG2 . 34639 1 144 . 1 . 1 20 20 GLU HG3 H 1 2.528 0.002 . . . . . . M 20 GLU HG3 . 34639 1 145 . 1 . 1 21 21 LEU H H 1 8.467 0.003 . 1 . . . . M 21 LEU H . 34639 1 146 . 1 . 1 21 21 LEU HA H 1 4.182 0.004 . 1 . . . . M 21 LEU HA . 34639 1 147 . 1 . 1 21 21 LEU HB2 H 1 1.915 0.008 . . . . . . M 21 LEU HB2 . 34639 1 148 . 1 . 1 21 21 LEU HB3 H 1 1.758 0.002 . . . . . . M 21 LEU HB3 . 34639 1 149 . 1 . 1 21 21 LEU HG H 1 1.819 0.003 . 1 . . . . M 21 LEU HG . 34639 1 150 . 1 . 1 21 21 LEU HD11 H 1 0.963 0.012 . 2 . . . . M 21 LEU HD11 . 34639 1 151 . 1 . 1 21 21 LEU HD12 H 1 0.963 0.012 . 2 . . . . M 21 LEU HD12 . 34639 1 152 . 1 . 1 21 21 LEU HD13 H 1 0.963 0.012 . 2 . . . . M 21 LEU HD13 . 34639 1 153 . 1 . 1 21 21 LEU HD21 H 1 0.963 0.012 . 2 . . . . M 21 LEU HD21 . 34639 1 154 . 1 . 1 21 21 LEU HD22 H 1 0.963 0.012 . 2 . . . . M 21 LEU HD22 . 34639 1 155 . 1 . 1 21 21 LEU HD23 H 1 0.963 0.012 . 2 . . . . M 21 LEU HD23 . 34639 1 156 . 1 . 1 22 22 ALA H H 1 8.503 0.002 . 1 . . . . M 22 ALA H . 34639 1 157 . 1 . 1 22 22 ALA HA H 1 4.203 0.002 . 1 . . . . M 22 ALA HA . 34639 1 158 . 1 . 1 22 22 ALA HB1 H 1 1.547 0.002 . 1 . . . . M 22 ALA HB1 . 34639 1 159 . 1 . 1 22 22 ALA HB2 H 1 1.547 0.002 . 1 . . . . M 22 ALA HB2 . 34639 1 160 . 1 . 1 22 22 ALA HB3 H 1 1.547 0.002 . 1 . . . . M 22 ALA HB3 . 34639 1 161 . 1 . 1 23 23 SER H H 1 7.925 0.002 . 1 . . . . M 23 SER H . 34639 1 162 . 1 . 1 23 23 SER HA H 1 4.397 0.001 . 1 . . . . M 23 SER HA . 34639 1 163 . 1 . 1 23 23 SER HB2 H 1 4.088 0.002 . . . . . . M 23 SER HB2 . 34639 1 164 . 1 . 1 23 23 SER HB3 H 1 4.049 0.003 . . . . . . M 23 SER HB3 . 34639 1 165 . 1 . 1 24 24 THR H H 1 7.781 0.003 . 1 . . . . M 24 THR H . 34639 1 166 . 1 . 1 24 24 THR HA H 1 4.231 0.003 . 1 . . . . M 24 THR HA . 34639 1 167 . 1 . 1 24 24 THR HB H 1 4.198 0.001 . 1 . . . . M 24 THR HB . 34639 1 168 . 1 . 1 24 24 THR HG21 H 1 1.142 0.001 . 2 . . . . M 24 THR HG21 . 34639 1 169 . 1 . 1 24 24 THR HG22 H 1 1.142 0.001 . 2 . . . . M 24 THR HG22 . 34639 1 170 . 1 . 1 24 24 THR HG23 H 1 1.142 0.001 . 2 . . . . M 24 THR HG23 . 34639 1 171 . 1 . 1 25 25 TYR H H 1 7.827 0.004 . 1 . . . . M 25 TYR H . 34639 1 172 . 1 . 1 25 25 TYR HA H 1 4.586 0.001 . 1 . . . . M 25 TYR HA . 34639 1 173 . 1 . 1 25 25 TYR HB2 H 1 3.188 0.005 . . . . . . M 25 TYR HB2 . 34639 1 174 . 1 . 1 25 25 TYR HB3 H 1 3.002 0.006 . . . . . . M 25 TYR HB3 . 34639 1 175 . 1 . 1 25 25 TYR HD1 H 1 7.198 0.002 . 3 . . . . M 25 TYR HD1 . 34639 1 176 . 1 . 1 25 25 TYR HD2 H 1 7.198 0.002 . 3 . . . . M 25 TYR HD2 . 34639 1 177 . 1 . 1 25 25 TYR HE1 H 1 6.837 0.002 . 3 . . . . M 25 TYR HE1 . 34639 1 178 . 1 . 1 25 25 TYR HE2 H 1 6.837 0.002 . 3 . . . . M 25 TYR HE2 . 34639 1 179 . 1 . 1 26 26 ALA H H 1 7.812 0.004 . 1 . . . . M 26 ALA H . 34639 1 180 . 1 . 1 26 26 ALA HA H 1 4.390 0.000 . 1 . . . . M 26 ALA HA . 34639 1 181 . 1 . 1 26 26 ALA HB1 H 1 1.438 0.002 . 1 . . . . M 26 ALA HB1 . 34639 1 182 . 1 . 1 26 26 ALA HB2 H 1 1.438 0.002 . 1 . . . . M 26 ALA HB2 . 34639 1 183 . 1 . 1 26 26 ALA HB3 H 1 1.438 0.002 . 1 . . . . M 26 ALA HB3 . 34639 1 184 . 1 . 1 27 27 ASN H H 1 7.806 0.003 . 1 . . . . M 27 ASN H . 34639 1 185 . 1 . 1 27 27 ASN HA H 1 4.692 0.000 . 1 . . . . M 27 ASN HA . 34639 1 186 . 1 . 1 27 27 ASN HB2 H 1 2.877 0.005 . . . . . . M 27 ASN HB2 . 34639 1 187 . 1 . 1 27 27 ASN HB3 H 1 2.813 0.006 . . . . . . M 27 ASN HB3 . 34639 1 stop_ save_