################################### # 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 16294 _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' . . . 16294 1 2 '2D 1H-1H COSY' . . . 16294 1 3 '2D 1H-1H NOESY' . . . 16294 1 4 '2D DQF-COSY' . . . 16294 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 2 2 THR H H 1 8.33 0.03 . 1 . . . . 2 THR H . 16294 1 2 . 1 1 2 2 THR HA H 1 4.88 0.03 . 1 . . . . 2 THR HA . 16294 1 3 . 1 1 2 2 THR HB H 1 4.62 0.03 . 1 . . . . 2 THR HB . 16294 1 4 . 1 1 2 2 THR HG21 H 1 1.27 0.03 . 1 . . . . 2 THR HG1 . 16294 1 5 . 1 1 2 2 THR HG22 H 1 1.27 0.03 . 1 . . . . 2 THR HG1 . 16294 1 6 . 1 1 2 2 THR HG23 H 1 1.27 0.03 . 1 . . . . 2 THR HG1 . 16294 1 7 . 1 1 3 3 CYS H H 1 9.39 0.03 . 1 . . . . 3 CYS H . 16294 1 8 . 1 1 3 3 CYS HA H 1 4.62 0.03 . 1 . . . . 3 CYS HA . 16294 1 9 . 1 1 3 3 CYS HB2 H 1 3.45 0.03 . . . . . . 3 CYS HB2 . 16294 1 10 . 1 1 3 3 CYS HB3 H 1 2.96 0.03 . . . . . . 3 CYS HB3 . 16294 1 11 . 1 1 4 4 GLY H H 1 8.79 0.03 . 1 . . . . 4 GLY H . 16294 1 12 . 1 1 4 4 GLY HA2 H 1 3.96 0.03 . . . . . . 4 GLY HA2 . 16294 1 13 . 1 1 5 5 GLN H H 1 7.71 0.03 . 1 . . . . 5 GLN H . 16294 1 14 . 1 1 5 5 GLN HA H 1 4.19 0.03 . 1 . . . . 5 GLN HA . 16294 1 15 . 1 1 5 5 GLN HB2 H 1 2.45 0.03 . . . . . . 5 GLN HB2 . 16294 1 16 . 1 1 5 5 GLN HB3 H 1 2.41 0.03 . . . . . . 5 GLN HB3 . 16294 1 17 . 1 1 6 6 VAL H H 1 7.65 0.03 . 1 . . . . 6 VAL H . 16294 1 18 . 1 1 6 6 VAL HA H 1 3.55 0.03 . 1 . . . . 6 VAL HA . 16294 1 19 . 1 1 6 6 VAL HB H 1 2.33 0.03 . 1 . . . . 6 VAL HB . 16294 1 20 . 1 1 6 6 VAL HG11 H 1 1.06 0.03 . . . . . . 6 VAL MG1 . 16294 1 21 . 1 1 6 6 VAL HG12 H 1 1.06 0.03 . . . . . . 6 VAL MG1 . 16294 1 22 . 1 1 6 6 VAL HG13 H 1 1.06 0.03 . . . . . . 6 VAL MG1 . 16294 1 23 . 1 1 6 6 VAL HG21 H 1 0.87 0.03 . . . . . . 6 VAL MG2 . 16294 1 24 . 1 1 6 6 VAL HG22 H 1 0.87 0.03 . . . . . . 6 VAL MG2 . 16294 1 25 . 1 1 6 6 VAL HG23 H 1 0.87 0.03 . . . . . . 6 VAL MG2 . 16294 1 26 . 1 1 7 7 SER H H 1 8.87 0.03 . 1 . . . . 7 SER H . 16294 1 27 . 1 1 7 7 SER HA H 1 3.95 0.03 . 1 . . . . 7 SER HA . 16294 1 28 . 1 1 7 7 SER HB2 H 1 3.98 0.03 . . . . . . 7 SER HB2 . 16294 1 29 . 1 1 8 8 SER H H 1 8.07 0.03 . 1 . . . . 8 SER H . 16294 1 30 . 1 1 8 8 SER HA H 1 4.29 0.03 . 1 . . . . 8 SER HA . 16294 1 31 . 1 1 8 8 SER HB2 H 1 3.99 0.03 . . . . . . 8 SER HB2 . 16294 1 32 . 1 1 9 9 SER H H 1 7.74 0.03 . 1 . . . . 9 SER H . 16294 1 33 . 1 1 9 9 SER HA H 1 4.35 0.03 . 1 . . . . 9 SER HA . 16294 1 34 . 1 1 9 9 SER HB2 H 1 3.98 0.03 . . . . . . 9 SER HB2 . 16294 1 35 . 1 1 9 9 SER HB3 H 1 4.04 0.03 . . . . . . 9 SER HB3 . 16294 1 36 . 1 1 10 10 LEU H H 1 7.68 0.03 . 1 . . . . 10 LEU H . 16294 1 37 . 1 1 10 10 LEU HA H 1 4.47 0.03 . 1 . . . . 10 LEU HA . 16294 1 38 . 1 1 11 11 ALA H H 1 7.49 0.03 . 1 . . . . 11 ALA H . 16294 1 39 . 1 1 11 11 ALA HA H 1 4.30 0.03 . 1 . . . . 11 ALA HA . 16294 1 40 . 1 1 11 11 ALA HB1 H 1 1.63 0.03 . 1 . . . . 11 ALA MB . 16294 1 41 . 1 1 11 11 ALA HB2 H 1 1.63 0.03 . 1 . . . . 11 ALA MB . 16294 1 42 . 1 1 11 11 ALA HB3 H 1 1.63 0.03 . 1 . . . . 11 ALA MB . 16294 1 43 . 1 1 13 13 CYS H H 1 8.67 0.03 . 1 . . . . 13 CYS H . 16294 1 44 . 1 1 13 13 CYS HA H 1 4.69 0.03 . 1 . . . . 13 CYS HA . 16294 1 45 . 1 1 13 13 CYS HB2 H 1 3.33 0.03 . . . . . . 13 CYS HB2 . 16294 1 46 . 1 1 13 13 CYS HB3 H 1 3.24 0.03 . . . . . . 13 CYS HB3 . 16294 1 47 . 1 1 14 14 ILE H H 1 7.89 0.03 . 1 . . . . 14 ILE H . 16294 1 48 . 1 1 14 14 ILE HA H 1 3.90 0.03 . 1 . . . . 14 ILE HA . 16294 1 49 . 1 1 14 14 ILE HB H 1 2.36 0.03 . 1 . . . . 14 ILE HB . 16294 1 50 . 1 1 16 16 TYR H H 1 7.98 0.03 . 1 . . . . 16 TYR H . 16294 1 51 . 1 1 16 16 TYR HA H 1 4.40 0.03 . 1 . . . . 16 TYR HA . 16294 1 52 . 1 1 16 16 TYR HB2 H 1 3.32 0.03 . . . . . . 16 TYR HB2 . 16294 1 53 . 1 1 16 16 TYR HB3 H 1 3.03 0.03 . . . . . . 16 TYR HB3 . 16294 1 54 . 1 1 17 17 VAL H H 1 8.47 0.03 . 1 . . . . 17 VAL H . 16294 1 55 . 1 1 17 17 VAL HA H 1 3.49 0.03 . 1 . . . . 17 VAL HA . 16294 1 56 . 1 1 17 17 VAL HB H 1 2.31 0.03 . 1 . . . . 17 VAL HB . 16294 1 57 . 1 1 17 17 VAL HG11 H 1 1.04 0.03 . . . . . . 17 VAL MG1 . 16294 1 58 . 1 1 17 17 VAL HG12 H 1 1.04 0.03 . . . . . . 17 VAL MG1 . 16294 1 59 . 1 1 17 17 VAL HG13 H 1 1.04 0.03 . . . . . . 17 VAL MG1 . 16294 1 60 . 1 1 17 17 VAL HG21 H 1 1.10 0.03 . . . . . . 17 VAL MG2 . 16294 1 61 . 1 1 17 17 VAL HG22 H 1 1.10 0.03 . . . . . . 17 VAL MG2 . 16294 1 62 . 1 1 17 17 VAL HG23 H 1 1.10 0.03 . . . . . . 17 VAL MG2 . 16294 1 63 . 1 1 18 18 ARG H H 1 7.93 0.03 . 1 . . . . 18 ARG H . 16294 1 64 . 1 1 18 18 ARG HA H 1 4.54 0.03 . 1 . . . . 18 ARG HA . 16294 1 65 . 1 1 18 18 ARG HB2 H 1 1.86 0.03 . . . . . . 18 ARG HB2 . 16294 1 66 . 1 1 18 18 ARG HB3 H 1 1.72 0.03 . . . . . . 18 ARG HB3 . 16294 1 67 . 1 1 19 19 GLY H H 1 7.93 0.03 . 1 . . . . 19 GLY H . 16294 1 68 . 1 1 19 19 GLY HA2 H 1 4.39 0.03 . . . . . . 19 GLY HA2 . 16294 1 69 . 1 1 19 19 GLY HA3 H 1 3.75 0.03 . . . . . . 19 GLY HA3 . 16294 1 70 . 1 1 20 20 GLY H H 1 8.77 0.03 . 1 . . . . 20 GLY H . 16294 1 71 . 1 1 20 20 GLY HA2 H 1 3.21 0.03 . . . . . . 20 GLY HA2 . 16294 1 72 . 1 1 20 20 GLY HA3 H 1 3.98 0.03 . . . . . . 20 GLY HA3 . 16294 1 73 . 1 1 21 21 GLY H H 1 8.38 0.03 . 1 . . . . 21 GLY H . 16294 1 74 . 1 1 21 21 GLY HA2 H 1 3.78 0.03 . . . . . . 21 GLY HA2 . 16294 1 75 . 1 1 21 21 GLY HA3 H 1 4.31 0.03 . . . . . . 21 GLY HA3 . 16294 1 76 . 1 1 22 22 ALA H H 1 8.32 0.03 . 1 . . . . 22 ALA H . 16294 1 77 . 1 1 22 22 ALA HA H 1 4.36 0.03 . 1 . . . . 22 ALA HA . 16294 1 78 . 1 1 22 22 ALA HB1 H 1 1.34 0.03 . 1 . . . . 22 ALA MB . 16294 1 79 . 1 1 22 22 ALA HB2 H 1 1.34 0.03 . 1 . . . . 22 ALA MB . 16294 1 80 . 1 1 22 22 ALA HB3 H 1 1.34 0.03 . 1 . . . . 22 ALA MB . 16294 1 81 . 1 1 23 23 VAL H H 1 8.38 0.03 . 1 . . . . 23 VAL H . 16294 1 82 . 1 1 23 23 VAL HA H 1 3.85 0.03 . 1 . . . . 23 VAL HA . 16294 1 83 . 1 1 23 23 VAL HB H 1 1.62 0.03 . 1 . . . . 23 VAL HB . 16294 1 84 . 1 1 23 23 VAL HG11 H 1 0.54 0.03 . . . . . . 23 VAL MG1 . 16294 1 85 . 1 1 23 23 VAL HG12 H 1 0.54 0.03 . . . . . . 23 VAL MG1 . 16294 1 86 . 1 1 23 23 VAL HG13 H 1 0.54 0.03 . . . . . . 23 VAL MG1 . 16294 1 87 . 1 1 23 23 VAL HG21 H 1 0.11 0.03 . . . . . . 23 VAL MG2 . 16294 1 88 . 1 1 23 23 VAL HG22 H 1 0.11 0.03 . . . . . . 23 VAL MG2 . 16294 1 89 . 1 1 23 23 VAL HG23 H 1 0.11 0.03 . . . . . . 23 VAL MG2 . 16294 1 90 . 1 1 26 26 ALA H H 1 8.75 0.03 . 1 . . . . 26 ALA H . 16294 1 91 . 1 1 26 26 ALA HA H 1 4.24 0.03 . 1 . . . . 26 ALA HA . 16294 1 92 . 1 1 26 26 ALA HB1 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16294 1 93 . 1 1 26 26 ALA HB2 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16294 1 94 . 1 1 26 26 ALA HB3 H 1 1.49 0.03 . 1 . . . . 26 ALA MB . 16294 1 95 . 1 1 27 27 CYS H H 1 7.91 0.03 . 1 . . . . 27 CYS H . 16294 1 96 . 1 1 27 27 CYS HA H 1 4.48 0.03 . 1 . . . . 27 CYS HA . 16294 1 97 . 1 1 27 27 CYS HB2 H 1 3.31 0.03 . . . . . . 27 CYS HB2 . 16294 1 98 . 1 1 27 27 CYS HB3 H 1 2.69 0.03 . . . . . . 27 CYS HB3 . 16294 1 99 . 1 1 28 28 CYS H H 1 7.09 0.03 . 1 . . . . 28 CYS H . 16294 1 100 . 1 1 28 28 CYS HA H 1 4.68 0.03 . 1 . . . . 28 CYS HA . 16294 1 101 . 1 1 28 28 CYS HB2 H 1 2.87 0.03 . . . . . . 28 CYS HB2 . 16294 1 102 . 1 1 28 28 CYS HB3 H 1 3.11 0.03 . . . . . . 28 CYS HB3 . 16294 1 103 . 1 1 29 29 ASN H H 1 8.71 0.03 . 1 . . . . 29 ASN H . 16294 1 104 . 1 1 29 29 ASN HA H 1 4.43 0.03 . 1 . . . . 29 ASN HA . 16294 1 105 . 1 1 29 29 ASN HB2 H 1 2.87 0.03 . . . . . . 29 ASN HB2 . 16294 1 106 . 1 1 29 29 ASN HB3 H 1 2.81 0.03 . . . . . . 29 ASN HB3 . 16294 1 107 . 1 1 30 30 GLY H H 1 7.83 0.03 . 1 . . . . 30 GLY H . 16294 1 108 . 1 1 30 30 GLY HA2 H 1 4.24 0.03 . . . . . . 30 GLY HA2 . 16294 1 109 . 1 1 30 30 GLY HA3 H 1 3.99 0.03 . . . . . . 30 GLY HA3 . 16294 1 110 . 1 1 31 31 ILE H H 1 8.16 0.03 . 1 . . . . 31 ILE H . 16294 1 111 . 1 1 31 31 ILE HA H 1 3.84 0.03 . 1 . . . . 31 ILE HA . 16294 1 112 . 1 1 31 31 ILE HB H 1 1.94 0.03 . 1 . . . . 31 ILE HB . 16294 1 113 . 1 1 32 32 ARG H H 1 8.14 0.03 . 1 . . . . 32 ARG H . 16294 1 114 . 1 1 32 32 ARG HA H 1 3.91 0.03 . 1 . . . . 32 ARG HA . 16294 1 115 . 1 1 33 33 ASN H H 1 8.19 0.03 . 1 . . . . 33 ASN H . 16294 1 116 . 1 1 33 33 ASN HA H 1 4.48 0.03 . 1 . . . . 33 ASN HA . 16294 1 117 . 1 1 33 33 ASN HB2 H 1 2.98 0.03 . . . . . . 33 ASN HB2 . 16294 1 118 . 1 1 33 33 ASN HB3 H 1 3.05 0.03 . . . . . . 33 ASN HB3 . 16294 1 119 . 1 1 34 34 VAL H H 1 8.03 0.03 . 1 . . . . 34 VAL H . 16294 1 120 . 1 1 34 34 VAL HA H 1 3.51 0.03 . 1 . . . . 34 VAL HA . 16294 1 121 . 1 1 34 34 VAL HB H 1 2.24 0.03 . 1 . . . . 34 VAL HB . 16294 1 122 . 1 1 34 34 VAL HG11 H 1 0.94 0.03 . . . . . . 34 VAL MG1 . 16294 1 123 . 1 1 34 34 VAL HG12 H 1 0.94 0.03 . . . . . . 34 VAL MG1 . 16294 1 124 . 1 1 34 34 VAL HG13 H 1 0.94 0.03 . . . . . . 34 VAL MG1 . 16294 1 125 . 1 1 34 34 VAL HG21 H 1 1.16 0.03 . . . . . . 34 VAL MG2 . 16294 1 126 . 1 1 34 34 VAL HG22 H 1 1.16 0.03 . . . . . . 34 VAL MG2 . 16294 1 127 . 1 1 34 34 VAL HG23 H 1 1.16 0.03 . . . . . . 34 VAL MG2 . 16294 1 128 . 1 1 35 35 ASN H H 1 7.83 0.03 . 1 . . . . 35 ASN H . 16294 1 129 . 1 1 35 35 ASN HA H 1 4.48 0.03 . 1 . . . . 35 ASN HA . 16294 1 130 . 1 1 36 36 ASN H H 1 8.28 0.03 . 1 . . . . 36 ASN H . 16294 1 131 . 1 1 36 36 ASN HA H 1 4.43 0.03 . 1 . . . . 36 ASN HA . 16294 1 132 . 1 1 36 36 ASN HB2 H 1 2.89 0.03 . . . . . . 36 ASN HB2 . 16294 1 133 . 1 1 36 36 ASN HB3 H 1 2.95 0.03 . . . . . . 36 ASN HB3 . 16294 1 134 . 1 1 37 37 LEU H H 1 7.89 0.03 . 1 . . . . 37 LEU H . 16294 1 135 . 1 1 37 37 LEU HA H 1 4.25 0.03 . 1 . . . . 37 LEU HA . 16294 1 136 . 1 1 37 37 LEU HB2 H 1 1.87 0.03 . . . . . . 37 LEU HB2 . 16294 1 137 . 1 1 37 37 LEU HB3 H 1 1.51 0.03 . . . . . . 37 LEU HB3 . 16294 1 138 . 1 1 38 38 ALA H H 1 7.39 0.03 . 1 . . . . 38 ALA H . 16294 1 139 . 1 1 38 38 ALA HA H 1 4.33 0.03 . 1 . . . . 38 ALA HA . 16294 1 140 . 1 1 38 38 ALA HB1 H 1 1.64 0.03 . 1 . . . . 38 ALA MB . 16294 1 141 . 1 1 38 38 ALA HB2 H 1 1.64 0.03 . 1 . . . . 38 ALA MB . 16294 1 142 . 1 1 38 38 ALA HB3 H 1 1.64 0.03 . 1 . . . . 38 ALA MB . 16294 1 143 . 1 1 39 39 ARG H H 1 8.74 0.03 . 1 . . . . 39 ARG H . 16294 1 144 . 1 1 39 39 ARG HA H 1 4.49 0.03 . 1 . . . . 39 ARG HA . 16294 1 145 . 1 1 40 40 THR H H 1 7.81 0.03 . 1 . . . . 40 THR H . 16294 1 146 . 1 1 40 40 THR HA H 1 4.83 0.03 . 1 . . . . 40 THR HA . 16294 1 147 . 1 1 40 40 THR HB H 1 4.54 0.03 . 1 . . . . 40 THR HB . 16294 1 148 . 1 1 41 41 THR H H 1 9.17 0.03 . 1 . . . . 41 THR H . 16294 1 149 . 1 1 41 41 THR HA H 1 4.13 0.03 . 1 . . . . 41 THR HA . 16294 1 150 . 1 1 41 41 THR HB H 1 4.30 0.03 . 1 . . . . 41 THR HB . 16294 1 151 . 1 1 43 43 ASP H H 1 7.29 0.03 . 1 . . . . 43 ASP H . 16294 1 152 . 1 1 43 43 ASP HA H 1 4.63 0.03 . 1 . . . . 43 ASP HA . 16294 1 153 . 1 1 43 43 ASP HB2 H 1 2.83 0.03 . . . . . . 43 ASP HB2 . 16294 1 154 . 1 1 43 43 ASP HB3 H 1 2.64 0.03 . . . . . . 43 ASP HB3 . 16294 1 155 . 1 1 44 44 ARG H H 1 8.56 0.03 . 1 . . . . 44 ARG H . 16294 1 156 . 1 1 44 44 ARG HA H 1 4.00 0.03 . 1 . . . . 44 ARG HA . 16294 1 157 . 1 1 44 44 ARG HB2 H 1 2.06 0.03 . . . . . . 44 ARG HB2 . 16294 1 158 . 1 1 45 45 GLN H H 1 8.41 0.03 . 1 . . . . 45 GLN H . 16294 1 159 . 1 1 45 45 GLN HA H 1 3.68 0.03 . 1 . . . . 45 GLN HA . 16294 1 160 . 1 1 45 45 GLN HB2 H 1 2.05 0.03 . . . . . . 45 GLN HB2 . 16294 1 161 . 1 1 45 45 GLN HB3 H 1 2.63 0.03 . . . . . . 45 GLN HB3 . 16294 1 162 . 1 1 46 46 ALA H H 1 8.07 0.03 . 1 . . . . 46 ALA H . 16294 1 163 . 1 1 46 46 ALA HA H 1 4.26 0.03 . 1 . . . . 46 ALA HA . 16294 1 164 . 1 1 46 46 ALA HB1 H 1 1.55 0.03 . 1 . . . . 46 ALA MB . 16294 1 165 . 1 1 46 46 ALA HB2 H 1 1.55 0.03 . 1 . . . . 46 ALA MB . 16294 1 166 . 1 1 46 46 ALA HB3 H 1 1.55 0.03 . 1 . . . . 46 ALA MB . 16294 1 167 . 1 1 47 47 ALA H H 1 8.63 0.03 . 1 . . . . 47 ALA H . 16294 1 168 . 1 1 47 47 ALA HA H 1 3.65 0.03 . 1 . . . . 47 ALA HA . 16294 1 169 . 1 1 47 47 ALA HB1 H 1 1.37 0.03 . 1 . . . . 47 ALA MB . 16294 1 170 . 1 1 47 47 ALA HB2 H 1 1.37 0.03 . 1 . . . . 47 ALA MB . 16294 1 171 . 1 1 47 47 ALA HB3 H 1 1.37 0.03 . 1 . . . . 47 ALA MB . 16294 1 172 . 1 1 48 48 CYS H H 1 7.99 0.03 . 1 . . . . 48 CYS H . 16294 1 173 . 1 1 48 48 CYS HA H 1 3.67 0.03 . 1 . . . . 48 CYS HA . 16294 1 174 . 1 1 48 48 CYS HB2 H 1 3.23 0.03 . . . . . . 48 CYS HB2 . 16294 1 175 . 1 1 48 48 CYS HB3 H 1 3.05 0.03 . . . . . . 48 CYS HB3 . 16294 1 176 . 1 1 49 49 ASN H H 1 8.29 0.03 . 1 . . . . 49 ASN H . 16294 1 177 . 1 1 49 49 ASN HA H 1 4.43 0.03 . 1 . . . . 49 ASN HA . 16294 1 178 . 1 1 49 49 ASN HB2 H 1 2.83 0.03 . . . . . . 49 ASN HB2 . 16294 1 179 . 1 1 49 49 ASN HB3 H 1 2.74 0.03 . . . . . . 49 ASN HB3 . 16294 1 180 . 1 1 50 50 CYS H H 1 8.58 0.03 . 1 . . . . 50 CYS H . 16294 1 181 . 1 1 50 50 CYS HA H 1 4.49 0.03 . 1 . . . . 50 CYS HA . 16294 1 182 . 1 1 50 50 CYS HB2 H 1 3.00 0.03 . . . . . . 50 CYS HB2 . 16294 1 183 . 1 1 51 51 LEU H H 1 8.61 0.03 . 1 . . . . 51 LEU H . 16294 1 184 . 1 1 51 51 LEU HA H 1 4.02 0.03 . 1 . . . . 51 LEU HA . 16294 1 185 . 1 1 51 51 LEU HB2 H 1 2.15 0.03 . . . . . . 51 LEU HB2 . 16294 1 186 . 1 1 51 51 LEU HB3 H 1 1.51 0.03 . . . . . . 51 LEU HB3 . 16294 1 187 . 1 1 52 52 LYS H H 1 8.55 0.03 . 1 . . . . 52 LYS H . 16294 1 188 . 1 1 52 52 LYS HA H 1 4.04 0.03 . 1 . . . . 52 LYS HA . 16294 1 189 . 1 1 53 53 GLN H H 1 7.76 0.03 . 1 . . . . 53 GLN H . 16294 1 190 . 1 1 53 53 GLN HA H 1 4.18 0.03 . 1 . . . . 53 GLN HA . 16294 1 191 . 1 1 53 53 GLN HB2 H 1 2.47 0.03 . 4 . . . . 53 GLN HB2 . 16294 1 192 . 1 1 53 53 GLN HB3 H 1 2.24 0.03 . 4 . . . . 53 GLN HB3 . 16294 1 193 . 1 1 53 53 GLN HG2 H 1 2.56 0.03 . 4 . . . . 53 GLN HG2 . 16294 1 194 . 1 1 56 56 ALA H H 1 7.57 0.03 . 1 . . . . 56 ALA H . 16294 1 195 . 1 1 56 56 ALA HA H 1 4.37 0.03 . 1 . . . . 56 ALA HA . 16294 1 196 . 1 1 56 56 ALA HB1 H 1 1.53 0.03 . 1 . . . . 56 ALA MB . 16294 1 197 . 1 1 56 56 ALA HB2 H 1 1.53 0.03 . 1 . . . . 56 ALA MB . 16294 1 198 . 1 1 56 56 ALA HB3 H 1 1.53 0.03 . 1 . . . . 56 ALA MB . 16294 1 199 . 1 1 57 57 SER H H 1 7.88 0.03 . 1 . . . . 57 SER H . 16294 1 200 . 1 1 57 57 SER HA H 1 4.53 0.03 . 1 . . . . 57 SER HA . 16294 1 201 . 1 1 57 57 SER HB2 H 1 4.00 0.03 . . . . . . 57 SER HB2 . 16294 1 202 . 1 1 57 57 SER HB3 H 1 3.95 0.03 . . . . . . 57 SER HB3 . 16294 1 203 . 1 1 58 58 VAL H H 1 7.58 0.03 . 1 . . . . 58 VAL H . 16294 1 204 . 1 1 58 58 VAL HA H 1 4.38 0.03 . 1 . . . . 58 VAL HA . 16294 1 205 . 1 1 58 58 VAL HB H 1 2.02 0.03 . 1 . . . . 58 VAL HB . 16294 1 206 . 1 1 58 58 VAL HG11 H 1 0.99 0.03 . . . . . . 58 VAL MG1 . 16294 1 207 . 1 1 58 58 VAL HG12 H 1 0.99 0.03 . . . . . . 58 VAL MG1 . 16294 1 208 . 1 1 58 58 VAL HG13 H 1 0.99 0.03 . . . . . . 58 VAL MG1 . 16294 1 209 . 1 1 58 58 VAL HG21 H 1 0.84 0.03 . . . . . . 58 VAL MG2 . 16294 1 210 . 1 1 58 58 VAL HG22 H 1 0.84 0.03 . . . . . . 58 VAL MG2 . 16294 1 211 . 1 1 58 58 VAL HG23 H 1 0.84 0.03 . . . . . . 58 VAL MG2 . 16294 1 212 . 1 1 60 60 GLY H H 1 8.72 0.03 . 1 . . . . 60 GLY H . 16294 1 213 . 1 1 60 60 GLY HA2 H 1 4.01 0.03 . . . . . . 60 GLY HA2 . 16294 1 214 . 1 1 60 60 GLY HA3 H 1 3.79 0.03 . . . . . . 60 GLY HA3 . 16294 1 215 . 1 1 61 61 VAL H H 1 7.36 0.03 . 1 . . . . 61 VAL H . 16294 1 216 . 1 1 61 61 VAL HA H 1 3.43 0.03 . 1 . . . . 61 VAL HA . 16294 1 217 . 1 1 61 61 VAL HB H 1 2.16 0.03 . 1 . . . . 61 VAL HB . 16294 1 218 . 1 1 61 61 VAL HG11 H 1 0.95 0.03 . . . . . . 61 VAL MG1 . 16294 1 219 . 1 1 61 61 VAL HG12 H 1 0.95 0.03 . . . . . . 61 VAL MG1 . 16294 1 220 . 1 1 61 61 VAL HG13 H 1 0.95 0.03 . . . . . . 61 VAL MG1 . 16294 1 221 . 1 1 61 61 VAL HG21 H 1 0.79 0.03 . . . . . . 61 VAL MG2 . 16294 1 222 . 1 1 61 61 VAL HG22 H 1 0.79 0.03 . . . . . . 61 VAL MG2 . 16294 1 223 . 1 1 61 61 VAL HG23 H 1 0.79 0.03 . . . . . . 61 VAL MG2 . 16294 1 224 . 1 1 62 62 ASN H H 1 8.14 0.03 . 1 . . . . 62 ASN H . 16294 1 225 . 1 1 62 62 ASN HA H 1 5.20 0.03 . 1 . . . . 62 ASN HA . 16294 1 226 . 1 1 62 62 ASN HB2 H 1 3.20 0.03 . . . . . . 62 ASN HB2 . 16294 1 227 . 1 1 62 62 ASN HB3 H 1 2.87 0.03 . . . . . . 62 ASN HB3 . 16294 1 228 . 1 1 64 64 ASN H H 1 8.21 0.03 . 1 . . . . 64 ASN H . 16294 1 229 . 1 1 64 64 ASN HA H 1 4.55 0.03 . 1 . . . . 64 ASN HA . 16294 1 230 . 1 1 64 64 ASN HB2 H 1 2.83 0.03 . . . . . . 64 ASN HB2 . 16294 1 231 . 1 1 64 64 ASN HB3 H 1 2.11 0.03 . . . . . . 64 ASN HB3 . 16294 1 232 . 1 1 65 65 ASN H H 1 7.69 0.03 . 1 . . . . 65 ASN H . 16294 1 233 . 1 1 65 65 ASN HA H 1 4.56 0.03 . 1 . . . . 65 ASN HA . 16294 1 234 . 1 1 65 65 ASN HB2 H 1 3.06 0.03 . . . . . . 65 ASN HB2 . 16294 1 235 . 1 1 65 65 ASN HB3 H 1 2.42 0.03 . . . . . . 65 ASN HB3 . 16294 1 236 . 1 1 66 66 ALA H H 1 8.06 0.03 . 1 . . . . 66 ALA H . 16294 1 237 . 1 1 66 66 ALA HA H 1 4.02 0.03 . 1 . . . . 66 ALA HA . 16294 1 238 . 1 1 66 66 ALA HB1 H 1 1.38 0.03 . 1 . . . . 66 ALA MB . 16294 1 239 . 1 1 66 66 ALA HB2 H 1 1.38 0.03 . 1 . . . . 66 ALA MB . 16294 1 240 . 1 1 66 66 ALA HB3 H 1 1.38 0.03 . 1 . . . . 66 ALA MB . 16294 1 241 . 1 1 67 67 ALA H H 1 7.64 0.03 . 1 . . . . 67 ALA H . 16294 1 242 . 1 1 67 67 ALA HA H 1 4.31 0.03 . 1 . . . . 67 ALA HA . 16294 1 243 . 1 1 67 67 ALA HB1 H 1 1.58 0.03 . 1 . . . . 67 ALA MB . 16294 1 244 . 1 1 67 67 ALA HB2 H 1 1.58 0.03 . 1 . . . . 67 ALA MB . 16294 1 245 . 1 1 67 67 ALA HB3 H 1 1.58 0.03 . 1 . . . . 67 ALA MB . 16294 1 246 . 1 1 68 68 ALA H H 1 7.48 0.03 . 1 . . . . 68 ALA H . 16294 1 247 . 1 1 68 68 ALA HA H 1 4.40 0.03 . 1 . . . . 68 ALA HA . 16294 1 248 . 1 1 68 68 ALA HB1 H 1 1.63 0.03 . 1 . . . . 68 ALA MB . 16294 1 249 . 1 1 68 68 ALA HB2 H 1 1.63 0.03 . 1 . . . . 68 ALA MB . 16294 1 250 . 1 1 68 68 ALA HB3 H 1 1.63 0.03 . 1 . . . . 68 ALA MB . 16294 1 251 . 1 1 69 69 LEU H H 1 7.37 0.03 . 1 . . . . 69 LEU H . 16294 1 252 . 1 1 69 69 LEU HA H 1 4.04 0.03 . 1 . . . . 69 LEU HA . 16294 1 253 . 1 1 71 71 GLY H H 1 8.30 0.03 . 1 . . . . 71 GLY H . 16294 1 254 . 1 1 71 71 GLY HA2 H 1 3.91 0.03 . . . . . . 71 GLY HA2 . 16294 1 255 . 1 1 71 71 GLY HA3 H 1 3.91 0.03 . . . . . . 71 GLY HA3 . 16294 1 256 . 1 1 72 72 LYS H H 1 8.17 0.03 . 1 . . . . 72 LYS H . 16294 1 257 . 1 1 72 72 LYS HA H 1 4.17 0.03 . 1 . . . . 72 LYS HA . 16294 1 258 . 1 1 72 72 LYS HB2 H 1 1.98 0.03 . . . . . . 72 LYS HB2 . 16294 1 259 . 1 1 72 72 LYS HB3 H 1 1.74 0.03 . . . . . . 72 LYS HB3 . 16294 1 260 . 1 1 73 73 CYS H H 1 7.79 0.03 . 1 . . . . 73 CYS H . 16294 1 261 . 1 1 73 73 CYS HA H 1 4.79 0.03 . 1 . . . . 73 CYS HA . 16294 1 262 . 1 1 73 73 CYS HB2 H 1 2.65 0.03 . . . . . . 73 CYS HB2 . 16294 1 263 . 1 1 73 73 CYS HB3 H 1 3.00 0.03 . . . . . . 73 CYS HB3 . 16294 1 264 . 1 1 74 74 GLY H H 1 7.93 0.03 . 1 . . . . 74 GLY H . 16294 1 265 . 1 1 74 74 GLY HA2 H 1 3.90 0.03 . . . . . . 74 GLY HA2 . 16294 1 266 . 1 1 74 74 GLY HA3 H 1 4.00 0.03 . . . . . . 74 GLY HA3 . 16294 1 267 . 1 1 75 75 VAL H H 1 8.06 0.03 . 1 . . . . 75 VAL H . 16294 1 268 . 1 1 75 75 VAL HA H 1 4.24 0.03 . 1 . . . . 75 VAL HA . 16294 1 269 . 1 1 75 75 VAL HB H 1 1.71 0.03 . 1 . . . . 75 VAL HB . 16294 1 270 . 1 1 75 75 VAL HG11 H 1 0.78 0.03 . . . . . . 75 VAL MG1 . 16294 1 271 . 1 1 75 75 VAL HG12 H 1 0.78 0.03 . . . . . . 75 VAL MG1 . 16294 1 272 . 1 1 75 75 VAL HG13 H 1 0.78 0.03 . . . . . . 75 VAL MG1 . 16294 1 273 . 1 1 75 75 VAL HG21 H 1 0.76 0.03 . . . . . . 75 VAL MG2 . 16294 1 274 . 1 1 75 75 VAL HG22 H 1 0.76 0.03 . . . . . . 75 VAL MG2 . 16294 1 275 . 1 1 75 75 VAL HG23 H 1 0.76 0.03 . . . . . . 75 VAL MG2 . 16294 1 276 . 1 1 76 76 SER H H 1 8.41 0.03 . 1 . . . . 76 SER H . 16294 1 277 . 1 1 76 76 SER HA H 1 4.48 0.03 . 1 . . . . 76 SER HA . 16294 1 278 . 1 1 76 76 SER HB2 H 1 3.69 0.03 . . . . . . 76 SER HB2 . 16294 1 279 . 1 1 77 77 ILE H H 1 7.83 0.03 . 5 . . . . 77 ILE H . 16294 1 280 . 1 1 77 77 ILE HA H 1 4.48 0.03 . 5 . . . . 77 ILE HA . 16294 1 281 . 1 1 79 79 TYR H H 1 6.62 0.03 . 1 . . . . 79 TYR H . 16294 1 282 . 1 1 79 79 TYR HA H 1 4.75 0.03 . 1 . . . . 79 TYR HA . 16294 1 283 . 1 1 79 79 TYR HB2 H 1 3.07 0.03 . . . . . . 79 TYR HB2 . 16294 1 284 . 1 1 79 79 TYR HB3 H 1 2.90 0.03 . . . . . . 79 TYR HB3 . 16294 1 285 . 1 1 80 80 LYS H H 1 8.29 0.03 . 1 . . . . 80 LYS H . 16294 1 286 . 1 1 80 80 LYS HA H 1 4.39 0.03 . 1 . . . . 80 LYS HA . 16294 1 287 . 1 1 80 80 LYS HB2 H 1 1.68 0.03 . . . . . . 80 LYS HB2 . 16294 1 288 . 1 1 80 80 LYS HB3 H 1 1.72 0.03 . . . . . . 80 LYS HB3 . 16294 1 289 . 1 1 83 83 ALA H H 1 8.88 0.03 . 1 . . . . 83 ALA H . 16294 1 290 . 1 1 83 83 ALA HA H 1 4.37 0.03 . 1 . . . . 83 ALA HA . 16294 1 291 . 1 1 83 83 ALA HB1 H 1 1.45 0.03 . 1 . . . . 83 ALA MB . 16294 1 292 . 1 1 83 83 ALA HB2 H 1 1.45 0.03 . 1 . . . . 83 ALA MB . 16294 1 293 . 1 1 83 83 ALA HB3 H 1 1.45 0.03 . 1 . . . . 83 ALA MB . 16294 1 294 . 1 1 84 84 SER H H 1 8.13 0.03 . 5 . . . . 84 SER H . 16294 1 295 . 1 1 84 84 SER HA H 1 4.55 0.03 . 5 . . . . 84 SER HA . 16294 1 296 . 1 1 84 84 SER HB2 H 1 3.96 0.03 . 5 . . . . 84 SER HB2 . 16294 1 297 . 1 1 85 85 THR H H 1 7.28 0.03 . 1 . . . . 85 THR H . 16294 1 298 . 1 1 85 85 THR HA H 1 3.87 0.03 . 1 . . . . 85 THR HA . 16294 1 299 . 1 1 85 85 THR HB H 1 4.08 0.03 . 1 . . . . 85 THR HB . 16294 1 300 . 1 1 85 85 THR HG21 H 1 1.18 0.03 . 1 . . . . 85 THR HG1 . 16294 1 301 . 1 1 85 85 THR HG22 H 1 1.18 0.03 . 1 . . . . 85 THR HG1 . 16294 1 302 . 1 1 85 85 THR HG23 H 1 1.18 0.03 . 1 . . . . 85 THR HG1 . 16294 1 303 . 1 1 86 86 ASN H H 1 8.81 0.03 . 1 . . . . 86 ASN H . 16294 1 304 . 1 1 86 86 ASN HA H 1 4.88 0.03 . 1 . . . . 86 ASN HA . 16294 1 305 . 1 1 86 86 ASN HB2 H 1 3.14 0.03 . . . . . . 86 ASN HB2 . 16294 1 306 . 1 1 86 86 ASN HB3 H 1 2.82 0.03 . . . . . . 86 ASN HB3 . 16294 1 307 . 1 1 87 87 CYS H H 1 8.70 0.03 . 1 . . . . 87 CYS H . 16294 1 308 . 1 1 87 87 CYS HA H 1 4.88 0.03 . 1 . . . . 87 CYS HA . 16294 1 309 . 1 1 87 87 CYS HB2 H 1 2.83 0.03 . . . . . . 87 CYS HB2 . 16294 1 310 . 1 1 88 88 ALA H H 1 7.97 0.03 . 1 . . . . 88 ALA H . 16294 1 311 . 1 1 88 88 ALA HA H 1 4.16 0.03 . 1 . . . . 88 ALA HA . 16294 1 312 . 1 1 88 88 ALA HB1 H 1 1.49 0.03 . 1 . . . . 88 ALA MB . 16294 1 313 . 1 1 88 88 ALA HB2 H 1 1.49 0.03 . 1 . . . . 88 ALA MB . 16294 1 314 . 1 1 88 88 ALA HB3 H 1 1.49 0.03 . 1 . . . . 88 ALA MB . 16294 1 315 . 1 1 89 89 THR H H 1 7.26 0.03 . 1 . . . . 89 THR H . 16294 1 316 . 1 1 89 89 THR HA H 1 4.33 0.03 . 1 . . . . 89 THR HA . 16294 1 317 . 1 1 89 89 THR HG21 H 1 1.18 0.03 . 1 . . . . 89 THR HG2 . 16294 1 318 . 1 1 89 89 THR HG22 H 1 1.18 0.03 . 1 . . . . 89 THR HG2 . 16294 1 319 . 1 1 89 89 THR HG23 H 1 1.18 0.03 . 1 . . . . 89 THR HG2 . 16294 1 320 . 1 1 90 90 VAL H H 1 7.05 0.03 . 1 . . . . 90 VAL H . 16294 1 321 . 1 1 90 90 VAL HA H 1 3.89 0.03 . 1 . . . . 90 VAL HA . 16294 1 322 . 1 1 90 90 VAL HB H 1 2.15 0.03 . 1 . . . . 90 VAL HB . 16294 1 323 . 1 1 90 90 VAL HG11 H 1 1.05 0.03 . . . . . . 90 VAL MG1 . 16294 1 324 . 1 1 90 90 VAL HG12 H 1 1.05 0.03 . . . . . . 90 VAL MG1 . 16294 1 325 . 1 1 90 90 VAL HG13 H 1 1.05 0.03 . . . . . . 90 VAL MG1 . 16294 1 326 . 1 1 90 90 VAL HG21 H 1 0.96 0.03 . . . . . . 90 VAL MG2 . 16294 1 327 . 1 1 90 90 VAL HG22 H 1 0.96 0.03 . . . . . . 90 VAL MG2 . 16294 1 328 . 1 1 90 90 VAL HG23 H 1 0.96 0.03 . . . . . . 90 VAL MG2 . 16294 1 329 . 1 1 91 91 LYS H H 1 7.89 0.03 . 1 . . . . 91 LYS H . 16294 1 330 . 1 1 91 91 LYS HA H 1 4.39 0.03 . 1 . . . . 91 LYS HA . 16294 1 331 . 1 1 91 91 LYS HB2 H 1 1.87 0.03 . . . . . . 91 LYS HB2 . 16294 1 332 . 1 1 91 91 LYS HB3 H 1 1.72 0.03 . . . . . . 91 LYS HB3 . 16294 1 stop_ save_