################################### # 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 16182 _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 . _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 TOCSY' . . . 16182 1 2 '2D 1H-1H NOESY' . . . 16182 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 MET HA H 1 4.12 0.005 . 1 . . . . 1 MET HA . 16182 1 2 . 1 1 1 1 MET HB2 H 1 2.17 0.005 . 1 . . . . 1 MET HB2 . 16182 1 3 . 1 1 1 1 MET HB3 H 1 2.17 0.005 . 1 . . . . 1 MET HB3 . 16182 1 4 . 1 1 1 1 MET HG2 H 1 2.58 0.005 . 1 . . . . 1 MET HG2 . 16182 1 5 . 1 1 1 1 MET HG3 H 1 2.58 0.005 . 1 . . . . 1 MET HG3 . 16182 1 6 . 1 1 2 2 ASN H H 1 8.75 0.005 . 1 . . . . 2 ASN H . 16182 1 7 . 1 1 2 2 ASN HA H 1 4.80 0.005 . 1 . . . . 2 ASN HA . 16182 1 8 . 1 1 2 2 ASN HB2 H 1 2.87 0.005 . 2 . . . . 2 ASN HB2 . 16182 1 9 . 1 1 2 2 ASN HB3 H 1 2.79 0.005 . 2 . . . . 2 ASN HB3 . 16182 1 10 . 1 1 2 2 ASN HD21 H 1 7.53 0.020 . 2 . . . . 2 ASN HD21 . 16182 1 11 . 1 1 2 2 ASN HD22 H 1 6.78 0.020 . 2 . . . . 2 ASN HD22 . 16182 1 12 . 1 1 3 3 LYS H H 1 8.35 0.005 . 1 . . . . 3 LYS H . 16182 1 13 . 1 1 3 3 LYS HA H 1 4.25 0.005 . 1 . . . . 3 LYS HA . 16182 1 14 . 1 1 3 3 LYS HB2 H 1 1.86 0.005 . 2 . . . . 3 LYS HB2 . 16182 1 15 . 1 1 3 3 LYS HB3 H 1 1.76 0.005 . 2 . . . . 3 LYS HB3 . 16182 1 16 . 1 1 3 3 LYS HD2 H 1 1.70 0.005 . 1 . . . . 3 LYS HD2 . 16182 1 17 . 1 1 3 3 LYS HD3 H 1 1.70 0.005 . 1 . . . . 3 LYS HD3 . 16182 1 18 . 1 1 3 3 LYS HE2 H 1 2.98 0.005 . 1 . . . . 3 LYS HE2 . 16182 1 19 . 1 1 3 3 LYS HE3 H 1 2.98 0.005 . 1 . . . . 3 LYS HE3 . 16182 1 20 . 1 1 3 3 LYS HG2 H 1 1.46 0.005 . 2 . . . . 3 LYS HG2 . 16182 1 21 . 1 1 3 3 LYS HG3 H 1 1.41 0.005 . 2 . . . . 3 LYS HG3 . 16182 1 22 . 1 1 3 3 LYS HZ1 H 1 7.55 0.005 . 1 . . . . 3 LYS QZ . 16182 1 23 . 1 1 3 3 LYS HZ2 H 1 7.55 0.005 . 1 . . . . 3 LYS QZ . 16182 1 24 . 1 1 3 3 LYS HZ3 H 1 7.55 0.005 . 1 . . . . 3 LYS QZ . 16182 1 25 . 1 1 4 4 LYS H H 1 8.13 0.005 . 1 . . . . 4 LYS H . 16182 1 26 . 1 1 4 4 LYS HA H 1 4.26 0.005 . 1 . . . . 4 LYS HA . 16182 1 27 . 1 1 4 4 LYS HB2 H 1 1.80 0.005 . 2 . . . . 4 LYS HB2 . 16182 1 28 . 1 1 4 4 LYS HB3 H 1 1.75 0.005 . 2 . . . . 4 LYS HB3 . 16182 1 29 . 1 1 4 4 LYS HD2 H 1 1.68 0.005 . 1 . . . . 4 LYS HD2 . 16182 1 30 . 1 1 4 4 LYS HD3 H 1 1.68 0.005 . 1 . . . . 4 LYS HD3 . 16182 1 31 . 1 1 4 4 LYS HE2 H 1 2.98 0.005 . 1 . . . . 4 LYS HE2 . 16182 1 32 . 1 1 4 4 LYS HE3 H 1 2.98 0.005 . 1 . . . . 4 LYS HE3 . 16182 1 33 . 1 1 4 4 LYS HG2 H 1 1.45 0.005 . 2 . . . . 4 LYS HG2 . 16182 1 34 . 1 1 4 4 LYS HG3 H 1 1.40 0.005 . 2 . . . . 4 LYS HG3 . 16182 1 35 . 1 1 4 4 LYS HZ1 H 1 7.55 0.005 . 1 . . . . 4 LYS QZ . 16182 1 36 . 1 1 4 4 LYS HZ2 H 1 7.55 0.005 . 1 . . . . 4 LYS QZ . 16182 1 37 . 1 1 4 4 LYS HZ3 H 1 7.55 0.005 . 1 . . . . 4 LYS QZ . 16182 1 38 . 1 1 5 5 ASN H H 1 8.15 0.005 . 1 . . . . 5 ASN H . 16182 1 39 . 1 1 5 5 ASN HA H 1 4.72 0.005 . 1 . . . . 5 ASN HA . 16182 1 40 . 1 1 5 5 ASN HB2 H 1 2.80 0.005 . 2 . . . . 5 ASN HB2 . 16182 1 41 . 1 1 5 5 ASN HB3 H 1 2.71 0.005 . 2 . . . . 5 ASN HB3 . 16182 1 42 . 1 1 5 5 ASN HD21 H 1 7.41 0.005 . 2 . . . . 5 ASN HD21 . 16182 1 43 . 1 1 5 5 ASN HD22 H 1 6.66 0.005 . 2 . . . . 5 ASN HD22 . 16182 1 44 . 1 1 6 6 ILE H H 1 7.71 0.005 . 1 . . . . 6 ILE H . 16182 1 45 . 1 1 6 6 ILE HA H 1 4.21 0.005 . 1 . . . . 6 ILE HA . 16182 1 46 . 1 1 6 6 ILE HB H 1 1.87 0.005 . 1 . . . . 6 ILE HB . 16182 1 47 . 1 1 6 6 ILE HD11 H 1 0.84 0.005 . 1 . . . . 6 ILE MD . 16182 1 48 . 1 1 6 6 ILE HD12 H 1 0.84 0.005 . 1 . . . . 6 ILE MD . 16182 1 49 . 1 1 6 6 ILE HD13 H 1 0.84 0.005 . 1 . . . . 6 ILE MD . 16182 1 50 . 1 1 6 6 ILE HG12 H 1 1.43 0.005 . 2 . . . . 6 ILE HG12 . 16182 1 51 . 1 1 6 6 ILE HG13 H 1 1.14 0.005 . 2 . . . . 6 ILE HG13 . 16182 1 52 . 1 1 6 6 ILE HG21 H 1 0.87 0.005 . 1 . . . . 6 ILE MG . 16182 1 53 . 1 1 6 6 ILE HG22 H 1 0.87 0.005 . 1 . . . . 6 ILE MG . 16182 1 54 . 1 1 6 6 ILE HG23 H 1 0.87 0.005 . 1 . . . . 6 ILE MG . 16182 1 55 . 1 1 7 7 LEU H H 1 7.84 0.005 . 1 . . . . 7 LEU H . 16182 1 56 . 1 1 7 7 LEU HA H 1 4.65 0.005 . 1 . . . . 7 LEU HA . 16182 1 57 . 1 1 7 7 LEU HB2 H 1 1.68 0.005 . 2 . . . . 7 LEU HB2 . 16182 1 58 . 1 1 7 7 LEU HB3 H 1 1.62 0.005 . 2 . . . . 7 LEU HB3 . 16182 1 59 . 1 1 7 7 LEU HD11 H 1 0.92 0.005 . 2 . . . . 7 LEU MD1 . 16182 1 60 . 1 1 7 7 LEU HD12 H 1 0.92 0.005 . 2 . . . . 7 LEU MD1 . 16182 1 61 . 1 1 7 7 LEU HD13 H 1 0.92 0.005 . 2 . . . . 7 LEU MD1 . 16182 1 62 . 1 1 7 7 LEU HD21 H 1 0.90 0.005 . 2 . . . . 7 LEU MD2 . 16182 1 63 . 1 1 7 7 LEU HD22 H 1 0.90 0.005 . 2 . . . . 7 LEU MD2 . 16182 1 64 . 1 1 7 7 LEU HD23 H 1 0.90 0.005 . 2 . . . . 7 LEU MD2 . 16182 1 65 . 1 1 7 7 LEU HG H 1 1.55 0.005 . 1 . . . . 7 LEU HG . 16182 1 66 . 1 1 8 8 PRO HA H 1 4.38 0.005 . 1 . . . . 8 PRO HA . 16182 1 67 . 1 1 8 8 PRO HB2 H 1 2.27 0.005 . 2 . . . . 8 PRO HB2 . 16182 1 68 . 1 1 8 8 PRO HB3 H 1 1.91 0.005 . 2 . . . . 8 PRO HB3 . 16182 1 69 . 1 1 8 8 PRO HD2 H 1 3.81 0.005 . 2 . . . . 8 PRO HD2 . 16182 1 70 . 1 1 8 8 PRO HD3 H 1 3.64 0.005 . 2 . . . . 8 PRO HD3 . 16182 1 71 . 1 1 8 8 PRO HG2 H 1 2.05 0.005 . 2 . . . . 8 PRO HG2 . 16182 1 72 . 1 1 8 8 PRO HG3 H 1 2.00 0.005 . 2 . . . . 8 PRO HG3 . 16182 1 73 . 1 1 9 9 GLN H H 1 8.41 0.005 . 1 . . . . 9 GLN H . 16182 1 74 . 1 1 9 9 GLN HA H 1 4.23 0.005 . 1 . . . . 9 GLN HA . 16182 1 75 . 1 1 9 9 GLN HB2 H 1 2.12 0.005 . 2 . . . . 9 GLN HB2 . 16182 1 76 . 1 1 9 9 GLN HB3 H 1 1.99 0.005 . 2 . . . . 9 GLN HB3 . 16182 1 77 . 1 1 9 9 GLN HE21 H 1 7.30 0.050 . 2 . . . . 9 GLN HE21 . 16182 1 78 . 1 1 9 9 GLN HE22 H 1 6.50 0.050 . 2 . . . . 9 GLN HE22 . 16182 1 79 . 1 1 9 9 GLN HG2 H 1 2.38 0.005 . 1 . . . . 9 GLN HG2 . 16182 1 80 . 1 1 9 9 GLN HG3 H 1 2.38 0.005 . 1 . . . . 9 GLN HG3 . 16182 1 81 . 1 1 10 10 GLN H H 1 8.21 0.005 . 1 . . . . 10 GLN H . 16182 1 82 . 1 1 10 10 GLN HA H 1 4.28 0.005 . 1 . . . . 10 GLN HA . 16182 1 83 . 1 1 10 10 GLN HB2 H 1 2.14 0.005 . 2 . . . . 10 GLN HB2 . 16182 1 84 . 1 1 10 10 GLN HB3 H 1 2.06 0.005 . 2 . . . . 10 GLN HB3 . 16182 1 85 . 1 1 10 10 GLN HE21 H 1 7.30 0.050 . 2 . . . . 10 GLN HE21 . 16182 1 86 . 1 1 10 10 GLN HE22 H 1 6.50 0.050 . 2 . . . . 10 GLN HE22 . 16182 1 87 . 1 1 10 10 GLN HG2 H 1 2.36 0.005 . 1 . . . . 10 GLN HG2 . 16182 1 88 . 1 1 10 10 GLN HG3 H 1 2.36 0.005 . 1 . . . . 10 GLN HG3 . 16182 1 89 . 1 1 11 11 GLY H H 1 8.14 0.005 . 1 . . . . 11 GLY H . 16182 1 90 . 1 1 11 11 GLY HA2 H 1 3.97 0.005 . 2 . . . . 11 GLY HA2 . 16182 1 91 . 1 1 11 11 GLY HA3 H 1 3.86 0.005 . 2 . . . . 11 GLY HA3 . 16182 1 92 . 1 1 12 12 GLN H H 1 7.96 0.005 . 1 . . . . 12 GLN H . 16182 1 93 . 1 1 12 12 GLN HA H 1 4.46 0.005 . 1 . . . . 12 GLN HA . 16182 1 94 . 1 1 12 12 GLN HB2 H 1 2.15 0.005 . 2 . . . . 12 GLN HB2 . 16182 1 95 . 1 1 12 12 GLN HB3 H 1 2.05 0.005 . 2 . . . . 12 GLN HB3 . 16182 1 96 . 1 1 12 12 GLN HE21 H 1 7.30 0.050 . 2 . . . . 12 GLN HE21 . 16182 1 97 . 1 1 12 12 GLN HE22 H 1 6.50 0.050 . 2 . . . . 12 GLN HE22 . 16182 1 98 . 1 1 12 12 GLN HG2 H 1 2.42 0.005 . 1 . . . . 12 GLN HG2 . 16182 1 99 . 1 1 12 12 GLN HG3 H 1 2.42 0.005 . 1 . . . . 12 GLN HG3 . 16182 1 100 . 1 1 13 13 PRO HA H 1 4.31 0.005 . 1 . . . . 13 PRO HA . 16182 1 101 . 1 1 13 13 PRO HB2 H 1 2.28 0.005 . 2 . . . . 13 PRO HB2 . 16182 1 102 . 1 1 13 13 PRO HB3 H 1 1.90 0.005 . 2 . . . . 13 PRO HB3 . 16182 1 103 . 1 1 13 13 PRO HD2 H 1 3.77 0.005 . 2 . . . . 13 PRO HD2 . 16182 1 104 . 1 1 13 13 PRO HD3 H 1 3.72 0.005 . 2 . . . . 13 PRO HD3 . 16182 1 105 . 1 1 13 13 PRO HG2 H 1 2.08 0.005 . 2 . . . . 13 PRO HG2 . 16182 1 106 . 1 1 13 13 PRO HG3 H 1 2.00 0.005 . 2 . . . . 13 PRO HG3 . 16182 1 107 . 1 1 14 14 VAL H H 1 7.60 0.005 . 1 . . . . 14 VAL H . 16182 1 108 . 1 1 14 14 VAL HA H 1 3.83 0.005 . 1 . . . . 14 VAL HA . 16182 1 109 . 1 1 14 14 VAL HB H 1 2.13 0.005 . 1 . . . . 14 VAL HB . 16182 1 110 . 1 1 14 14 VAL HG11 H 1 1.00 0.005 . 2 . . . . 14 VAL MG1 . 16182 1 111 . 1 1 14 14 VAL HG12 H 1 1.00 0.005 . 2 . . . . 14 VAL MG1 . 16182 1 112 . 1 1 14 14 VAL HG13 H 1 1.00 0.005 . 2 . . . . 14 VAL MG1 . 16182 1 113 . 1 1 14 14 VAL HG21 H 1 0.93 0.005 . 2 . . . . 14 VAL MG2 . 16182 1 114 . 1 1 14 14 VAL HG22 H 1 0.93 0.005 . 2 . . . . 14 VAL MG2 . 16182 1 115 . 1 1 14 14 VAL HG23 H 1 0.93 0.005 . 2 . . . . 14 VAL MG2 . 16182 1 116 . 1 1 15 15 ILE H H 1 7.70 0.005 . 1 . . . . 15 ILE H . 16182 1 117 . 1 1 15 15 ILE HA H 1 3.85 0.005 . 1 . . . . 15 ILE HA . 16182 1 118 . 1 1 15 15 ILE HB H 1 1.94 0.005 . 1 . . . . 15 ILE HB . 16182 1 119 . 1 1 15 15 ILE HD11 H 1 0.83 0.005 . 1 . . . . 15 ILE MD . 16182 1 120 . 1 1 15 15 ILE HD12 H 1 0.83 0.005 . 1 . . . . 15 ILE MD . 16182 1 121 . 1 1 15 15 ILE HD13 H 1 0.83 0.005 . 1 . . . . 15 ILE MD . 16182 1 122 . 1 1 15 15 ILE HG12 H 1 1.56 0.005 . 2 . . . . 15 ILE HG12 . 16182 1 123 . 1 1 15 15 ILE HG13 H 1 1.19 0.005 . 2 . . . . 15 ILE HG13 . 16182 1 124 . 1 1 15 15 ILE HG21 H 1 0.90 0.005 . 1 . . . . 15 ILE MG . 16182 1 125 . 1 1 15 15 ILE HG22 H 1 0.90 0.005 . 1 . . . . 15 ILE MG . 16182 1 126 . 1 1 15 15 ILE HG23 H 1 0.90 0.005 . 1 . . . . 15 ILE MG . 16182 1 127 . 1 1 16 16 ARG H H 1 7.86 0.005 . 1 . . . . 16 ARG H . 16182 1 128 . 1 1 16 16 ARG HA H 1 4.10 0.005 . 1 . . . . 16 ARG HA . 16182 1 129 . 1 1 16 16 ARG HB2 H 1 1.86 0.005 . 1 . . . . 16 ARG HB2 . 16182 1 130 . 1 1 16 16 ARG HB3 H 1 1.86 0.005 . 1 . . . . 16 ARG HB3 . 16182 1 131 . 1 1 16 16 ARG HD2 H 1 3.15 0.005 . 1 . . . . 16 ARG HD2 . 16182 1 132 . 1 1 16 16 ARG HD3 H 1 3.15 0.005 . 1 . . . . 16 ARG HD3 . 16182 1 133 . 1 1 16 16 ARG HE H 1 7.16 0.005 . 1 . . . . 16 ARG HE . 16182 1 134 . 1 1 16 16 ARG HG2 H 1 1.69 0.005 . 2 . . . . 16 ARG HG2 . 16182 1 135 . 1 1 16 16 ARG HG3 H 1 1.63 0.005 . 2 . . . . 16 ARG HG3 . 16182 1 136 . 1 1 16 16 ARG HH11 H 1 6.51 0.005 . 1 . . . . 16 ARG HH11 . 16182 1 137 . 1 1 16 16 ARG HH12 H 1 6.51 0.005 . 1 . . . . 16 ARG HH12 . 16182 1 138 . 1 1 16 16 ARG HH21 H 1 6.51 0.005 . 1 . . . . 16 ARG HH21 . 16182 1 139 . 1 1 16 16 ARG HH22 H 1 6.51 0.005 . 1 . . . . 16 ARG HH22 . 16182 1 140 . 1 1 17 17 LEU H H 1 8.11 0.005 . 1 . . . . 17 LEU H . 16182 1 141 . 1 1 17 17 LEU HA H 1 4.25 0.020 . 1 . . . . 17 LEU HA . 16182 1 142 . 1 1 17 17 LEU HB2 H 1 1.79 0.005 . 2 . . . . 17 LEU HB2 . 16182 1 143 . 1 1 17 17 LEU HB3 H 1 1.61 0.005 . 2 . . . . 17 LEU HB3 . 16182 1 144 . 1 1 17 17 LEU HD11 H 1 0.87 0.020 . 1 . . . . 17 LEU MD1 . 16182 1 145 . 1 1 17 17 LEU HD12 H 1 0.87 0.020 . 1 . . . . 17 LEU MD1 . 16182 1 146 . 1 1 17 17 LEU HD13 H 1 0.87 0.020 . 1 . . . . 17 LEU MD1 . 16182 1 147 . 1 1 17 17 LEU HD21 H 1 0.86 0.020 . 1 . . . . 17 LEU MD2 . 16182 1 148 . 1 1 17 17 LEU HD22 H 1 0.86 0.020 . 1 . . . . 17 LEU MD2 . 16182 1 149 . 1 1 17 17 LEU HD23 H 1 0.86 0.020 . 1 . . . . 17 LEU MD2 . 16182 1 150 . 1 1 18 18 THR H H 1 7.98 0.005 . 1 . . . . 18 THR H . 16182 1 151 . 1 1 18 18 THR HA H 1 4.11 0.005 . 1 . . . . 18 THR HA . 16182 1 152 . 1 1 18 18 THR HB H 1 4.34 0.005 . 1 . . . . 18 THR HB . 16182 1 153 . 1 1 18 18 THR HG21 H 1 1.23 0.005 . 1 . . . . 18 THR MG . 16182 1 154 . 1 1 18 18 THR HG22 H 1 1.23 0.005 . 1 . . . . 18 THR MG . 16182 1 155 . 1 1 18 18 THR HG23 H 1 1.23 0.005 . 1 . . . . 18 THR MG . 16182 1 156 . 1 1 19 19 ALA H H 1 8.44 0.005 . 1 . . . . 19 ALA H . 16182 1 157 . 1 1 19 19 ALA HA H 1 4.11 0.005 . 1 . . . . 19 ALA HA . 16182 1 158 . 1 1 19 19 ALA HB1 H 1 1.46 0.005 . 1 . . . . 19 ALA MB . 16182 1 159 . 1 1 19 19 ALA HB2 H 1 1.46 0.005 . 1 . . . . 19 ALA MB . 16182 1 160 . 1 1 19 19 ALA HB3 H 1 1.46 0.005 . 1 . . . . 19 ALA MB . 16182 1 161 . 1 1 20 20 GLY H H 1 8.24 0.005 . 1 . . . . 20 GLY H . 16182 1 162 . 1 1 20 20 GLY HA2 H 1 3.89 0.005 . 2 . . . . 20 GLY HA2 . 16182 1 163 . 1 1 20 20 GLY HA3 H 1 3.85 0.005 . 2 . . . . 20 GLY HA3 . 16182 1 164 . 1 1 21 21 GLN H H 1 8.03 0.005 . 1 . . . . 21 GLN H . 16182 1 165 . 1 1 21 21 GLN HA H 1 4.18 0.005 . 1 . . . . 21 GLN HA . 16182 1 166 . 1 1 21 21 GLN HB2 H 1 2.23 0.005 . 2 . . . . 21 GLN HB2 . 16182 1 167 . 1 1 21 21 GLN HB3 H 1 2.15 0.005 . 2 . . . . 21 GLN HB3 . 16182 1 168 . 1 1 21 21 GLN HE21 H 1 7.30 0.050 . 2 . . . . 21 GLN HE21 . 16182 1 169 . 1 1 21 21 GLN HE22 H 1 6.50 0.050 . 2 . . . . 21 GLN HE22 . 16182 1 170 . 1 1 21 21 GLN HG2 H 1 2.44 0.005 . 1 . . . . 21 GLN HG2 . 16182 1 171 . 1 1 21 21 GLN HG3 H 1 2.44 0.005 . 1 . . . . 21 GLN HG3 . 16182 1 172 . 1 1 22 22 LEU H H 1 8.32 0.005 . 1 . . . . 22 LEU H . 16182 1 173 . 1 1 22 22 LEU HA H 1 4.18 0.005 . 1 . . . . 22 LEU HA . 16182 1 174 . 1 1 22 22 LEU HB2 H 1 1.75 0.005 . 2 . . . . 22 LEU HB2 . 16182 1 175 . 1 1 22 22 LEU HB3 H 1 1.63 0.005 . 2 . . . . 22 LEU HB3 . 16182 1 176 . 1 1 22 22 LEU HD11 H 1 0.88 0.005 . 2 . . . . 22 LEU MD1 . 16182 1 177 . 1 1 22 22 LEU HD12 H 1 0.88 0.005 . 2 . . . . 22 LEU MD1 . 16182 1 178 . 1 1 22 22 LEU HD13 H 1 0.88 0.005 . 2 . . . . 22 LEU MD1 . 16182 1 179 . 1 1 22 22 LEU HD21 H 1 0.86 0.005 . 2 . . . . 22 LEU MD2 . 16182 1 180 . 1 1 22 22 LEU HD22 H 1 0.86 0.005 . 2 . . . . 22 LEU MD2 . 16182 1 181 . 1 1 22 22 LEU HD23 H 1 0.86 0.005 . 2 . . . . 22 LEU MD2 . 16182 1 182 . 1 1 23 23 SER H H 1 8.18 0.005 . 1 . . . . 23 SER H . 16182 1 183 . 1 1 23 23 SER HA H 1 4.18 0.005 . 1 . . . . 23 SER HA . 16182 1 184 . 1 1 23 23 SER HB2 H 1 4.01 0.005 . 2 . . . . 23 SER HB2 . 16182 1 185 . 1 1 23 23 SER HB3 H 1 3.95 0.005 . 2 . . . . 23 SER HB3 . 16182 1 186 . 1 1 24 24 SER H H 1 7.80 0.005 . 1 . . . . 24 SER H . 16182 1 187 . 1 1 24 24 SER HA H 1 4.30 0.005 . 1 . . . . 24 SER HA . 16182 1 188 . 1 1 24 24 SER HB2 H 1 4.02 0.005 . 2 . . . . 24 SER HB2 . 16182 1 189 . 1 1 24 24 SER HB3 H 1 3.98 0.005 . 2 . . . . 24 SER HB3 . 16182 1 190 . 1 1 25 25 GLN H H 1 7.92 0.005 . 1 . . . . 25 GLN H . 16182 1 191 . 1 1 25 25 GLN HA H 1 4.28 0.005 . 1 . . . . 25 GLN HA . 16182 1 192 . 1 1 25 25 GLN HB2 H 1 2.19 0.005 . 2 . . . . 25 GLN HB2 . 16182 1 193 . 1 1 25 25 GLN HB3 H 1 2.15 0.005 . 2 . . . . 25 GLN HB3 . 16182 1 194 . 1 1 25 25 GLN HE21 H 1 7.30 0.050 . 2 . . . . 25 GLN HE21 . 16182 1 195 . 1 1 25 25 GLN HE22 H 1 6.50 0.050 . 2 . . . . 25 GLN HE22 . 16182 1 196 . 1 1 25 25 GLN HG2 H 1 2.43 0.005 . 1 . . . . 25 GLN HG2 . 16182 1 197 . 1 1 25 25 GLN HG3 H 1 2.43 0.005 . 1 . . . . 25 GLN HG3 . 16182 1 198 . 1 1 26 26 LEU H H 1 7.89 0.005 . 1 . . . . 26 LEU H . 16182 1 199 . 1 1 26 26 LEU HA H 1 4.28 0.005 . 1 . . . . 26 LEU HA . 16182 1 200 . 1 1 26 26 LEU HB2 H 1 1.75 0.005 . 2 . . . . 26 LEU HB2 . 16182 1 201 . 1 1 26 26 LEU HB3 H 1 1.59 0.005 . 2 . . . . 26 LEU HB3 . 16182 1 202 . 1 1 27 27 ALA H H 1 7.66 0.005 . 1 . . . . 27 ALA H . 16182 1 203 . 1 1 27 27 ALA HA H 1 4.29 0.005 . 1 . . . . 27 ALA HA . 16182 1 204 . 1 1 27 27 ALA HB1 H 1 1.43 0.005 . 1 . . . . 27 ALA MB . 16182 1 205 . 1 1 27 27 ALA HB2 H 1 1.43 0.005 . 1 . . . . 27 ALA MB . 16182 1 206 . 1 1 27 27 ALA HB3 H 1 1.43 0.005 . 1 . . . . 27 ALA MB . 16182 1 207 . 1 1 28 28 GLU H H 1 7.75 0.005 . 1 . . . . 28 GLU H . 16182 1 208 . 1 1 28 28 GLU HA H 1 4.30 0.050 . 1 . . . . 28 GLU HA . 16182 1 209 . 1 1 28 28 GLU HB2 H 1 2.25 0.005 . 2 . . . . 28 GLU HB2 . 16182 1 210 . 1 1 28 28 GLU HB3 H 1 2.04 0.005 . 2 . . . . 28 GLU HB3 . 16182 1 211 . 1 1 28 28 GLU HG2 H 1 2.49 0.005 . 2 . . . . 28 GLU HG2 . 16182 1 212 . 1 1 28 28 GLU HG3 H 1 2.45 0.005 . 2 . . . . 28 GLU HG3 . 16182 1 213 . 1 1 29 29 LEU H H 1 7.99 0.005 . 1 . . . . 29 LEU H . 16182 1 214 . 1 1 29 29 LEU HA H 1 4.35 0.005 . 1 . . . . 29 LEU HA . 16182 1 215 . 1 1 29 29 LEU HB2 H 1 1.64 0.005 . 2 . . . . 29 LEU HB2 . 16182 1 216 . 1 1 29 29 LEU HB3 H 1 1.61 0.005 . 2 . . . . 29 LEU HB3 . 16182 1 217 . 1 1 29 29 LEU HD11 H 1 0.87 0.005 . 2 . . . . 29 LEU MD1 . 16182 1 218 . 1 1 29 29 LEU HD12 H 1 0.87 0.005 . 2 . . . . 29 LEU MD1 . 16182 1 219 . 1 1 29 29 LEU HD13 H 1 0.87 0.005 . 2 . . . . 29 LEU MD1 . 16182 1 220 . 1 1 29 29 LEU HD21 H 1 0.86 0.005 . 2 . . . . 29 LEU MD2 . 16182 1 221 . 1 1 29 29 LEU HD22 H 1 0.86 0.005 . 2 . . . . 29 LEU MD2 . 16182 1 222 . 1 1 29 29 LEU HD23 H 1 0.86 0.005 . 2 . . . . 29 LEU MD2 . 16182 1 223 . 1 1 29 29 LEU HG H 1 1.57 0.020 . 1 . . . . 29 LEU HG . 16182 1 224 . 1 1 30 30 SER H H 1 8.08 0.005 . 1 . . . . 30 SER H . 16182 1 225 . 1 1 30 30 SER HA H 1 4.46 0.005 . 1 . . . . 30 SER HA . 16182 1 226 . 1 1 30 30 SER HB2 H 1 3.90 0.005 . 2 . . . . 30 SER HB2 . 16182 1 227 . 1 1 30 30 SER HB3 H 1 3.86 0.005 . 2 . . . . 30 SER HB3 . 16182 1 228 . 1 1 31 31 GLU H H 1 8.08 0.005 . 1 . . . . 31 GLU H . 16182 1 229 . 1 1 31 31 GLU HA H 1 4.41 0.005 . 1 . . . . 31 GLU HA . 16182 1 230 . 1 1 31 31 GLU HB2 H 1 2.26 0.005 . 2 . . . . 31 GLU HB2 . 16182 1 231 . 1 1 31 31 GLU HB3 H 1 1.99 0.005 . 2 . . . . 31 GLU HB3 . 16182 1 232 . 1 1 31 31 GLU HG2 H 1 2.40 0.005 . 1 . . . . 31 GLU HG2 . 16182 1 233 . 1 1 31 31 GLU HG3 H 1 2.40 0.005 . 1 . . . . 31 GLU HG3 . 16182 1 234 . 1 1 32 32 GLU H H 1 8.03 0.005 . 1 . . . . 32 GLU H . 16182 1 235 . 1 1 32 32 GLU HA H 1 4.38 0.005 . 1 . . . . 32 GLU HA . 16182 1 236 . 1 1 32 32 GLU HB2 H 1 2.17 0.005 . 2 . . . . 32 GLU HB2 . 16182 1 237 . 1 1 32 32 GLU HB3 H 1 1.94 0.005 . 2 . . . . 32 GLU HB3 . 16182 1 238 . 1 1 32 32 GLU HG2 H 1 2.37 0.005 . 1 . . . . 32 GLU HG2 . 16182 1 239 . 1 1 32 32 GLU HG3 H 1 2.37 0.005 . 1 . . . . 32 GLU HG3 . 16182 1 240 . 1 1 33 33 ALA H H 1 7.98 0.005 . 1 . . . . 33 ALA H . 16182 1 241 . 1 1 33 33 ALA HA H 1 4.28 0.005 . 1 . . . . 33 ALA HA . 16182 1 242 . 1 1 33 33 ALA HB1 H 1 1.34 0.005 . 1 . . . . 33 ALA MB . 16182 1 243 . 1 1 33 33 ALA HB2 H 1 1.34 0.005 . 1 . . . . 33 ALA MB . 16182 1 244 . 1 1 33 33 ALA HB3 H 1 1.34 0.005 . 1 . . . . 33 ALA MB . 16182 1 245 . 1 1 34 34 NLW H H 1 7.75 0.005 . 1 . . . . 34 LEU H . 16182 1 246 . 1 1 34 34 NLW HA H 1 4.31 0.005 . 1 . . . . 34 LEU HA . 16182 1 247 . 1 1 34 34 NLW HB2 H 1 1.62 0.005 . 2 . . . . 34 LEU HB2 . 16182 1 248 . 1 1 34 34 NLW HB3 H 1 1.60 0.020 . 2 . . . . 34 LEU HB3 . 16182 1 249 . 1 1 34 34 NLW HD11 H 1 0.90 0.005 . 2 . . . . 34 LEU MD1 . 16182 1 250 . 1 1 34 34 NLW HD12 H 1 0.90 0.005 . 2 . . . . 34 LEU MD1 . 16182 1 251 . 1 1 34 34 NLW HD13 H 1 0.90 0.005 . 2 . . . . 34 LEU MD1 . 16182 1 252 . 1 1 34 34 NLW HD21 H 1 0.86 0.005 . 2 . . . . 34 LEU MD2 . 16182 1 253 . 1 1 34 34 NLW HD22 H 1 0.86 0.005 . 2 . . . . 34 LEU MD2 . 16182 1 254 . 1 1 34 34 NLW HD23 H 1 0.86 0.005 . 2 . . . . 34 LEU MD2 . 16182 1 255 . 1 1 34 34 NLW HG H 1 1.57 0.020 . 1 . . . . 34 LEU HG . 16182 1 stop_ save_