################################### # 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_AgTX2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_AgTX2 _Assigned_chem_shift_list.Entry_ID 15421 _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 . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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' . . . 15421 1 2 '2D 1H-1H NOESY' . . . 15421 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 GLY H H 1 8.56 0.01 . 1 . . . . 1 GLY H . 15421 1 2 . 1 1 1 1 GLY HA2 H 1 4.23 0.01 . 1 . . . . 1 GLY HA2 . 15421 1 3 . 1 1 1 1 GLY HA3 H 1 3.96 0.01 . 1 . . . . 1 GLY HA3 . 15421 1 4 . 1 1 1 1 GLY N N 15 109.02 0.1 . 1 . . . . 1 GLY N . 15421 1 5 . 1 1 2 2 VAL H H 1 8.95 0.01 . 1 . . . . 2 VAL H . 15421 1 6 . 1 1 2 2 VAL HA H 1 4.59 0.01 . 1 . . . . 2 VAL HA . 15421 1 7 . 1 1 2 2 VAL HB H 1 1.97 0.01 . 1 . . . . 2 VAL HB . 15421 1 8 . 1 1 2 2 VAL HG11 H 1 0.92 0.01 . 2 . . . . 2 VAL HG1 . 15421 1 9 . 1 1 2 2 VAL HG12 H 1 0.92 0.01 . 2 . . . . 2 VAL HG1 . 15421 1 10 . 1 1 2 2 VAL HG13 H 1 0.92 0.01 . 2 . . . . 2 VAL HG1 . 15421 1 11 . 1 1 2 2 VAL HG21 H 1 0.92 0.01 . 2 . . . . 2 VAL HG2 . 15421 1 12 . 1 1 2 2 VAL HG22 H 1 0.92 0.01 . 2 . . . . 2 VAL HG2 . 15421 1 13 . 1 1 2 2 VAL HG23 H 1 0.92 0.01 . 2 . . . . 2 VAL HG2 . 15421 1 14 . 1 1 2 2 VAL N N 15 120.96 0.1 . 1 . . . . 2 VAL N . 15421 1 15 . 1 1 3 3 PRO HA H 1 4.55 0.01 . 1 . . . . 3 PRO HA . 15421 1 16 . 1 1 3 3 PRO HB2 H 1 1.85 0.1 . 1 . . . . 3 PRO HB2 . 15421 1 17 . 1 1 3 3 PRO HB3 H 1 1.85 0.01 . 1 . . . . 3 PRO HB3 . 15421 1 18 . 1 1 3 3 PRO HD2 H 1 3.93 0.01 . 1 . . . . 3 PRO HD2 . 15421 1 19 . 1 1 3 3 PRO HD3 H 1 3.82 0.01 . 1 . . . . 3 PRO HD3 . 15421 1 20 . 1 1 3 3 PRO HG2 H 1 2.12 0.01 . 1 . . . . 3 PRO HG2 . 15421 1 21 . 1 1 3 3 PRO HG3 H 1 1.88 0.01 . 1 . . . . 3 PRO HG3 . 15421 1 22 . 1 1 4 4 ILE H H 1 8.21 0.01 . 1 . . . . 4 ILE H . 15421 1 23 . 1 1 4 4 ILE HA H 1 4.53 0.01 . 1 . . . . 4 ILE HA . 15421 1 24 . 1 1 4 4 ILE HB H 1 1.89 0.01 . 1 . . . . 4 ILE HB . 15421 1 25 . 1 1 4 4 ILE HD11 H 1 0.67 0.01 . 1 . . . . 4 ILE HD1 . 15421 1 26 . 1 1 4 4 ILE HD12 H 1 0.67 0.01 . 1 . . . . 4 ILE HD1 . 15421 1 27 . 1 1 4 4 ILE HD13 H 1 0.67 0.01 . 1 . . . . 4 ILE HD1 . 15421 1 28 . 1 1 4 4 ILE HG12 H 1 1.17 0.01 . 1 . . . . 4 ILE HG12 . 15421 1 29 . 1 1 4 4 ILE HG13 H 1 1.03 0.01 . 1 . . . . 4 ILE HG13 . 15421 1 30 . 1 1 4 4 ILE HG21 H 1 0.81 0.01 . 1 . . . . 4 ILE HG2 . 15421 1 31 . 1 1 4 4 ILE HG22 H 1 0.81 0.01 . 1 . . . . 4 ILE HG2 . 15421 1 32 . 1 1 4 4 ILE HG23 H 1 0.81 0.01 . 1 . . . . 4 ILE HG2 . 15421 1 33 . 1 1 4 4 ILE N N 15 114.99 0.1 . 1 . . . . 4 ILE N . 15421 1 34 . 1 1 5 5 ASN H H 1 8.72 0.01 . 1 . . . . 5 ASN H . 15421 1 35 . 1 1 5 5 ASN HA H 1 4.8 0.01 . 1 . . . . 5 ASN HA . 15421 1 36 . 1 1 5 5 ASN HB2 H 1 2.93 0.01 . 1 . . . . 5 ASN HB2 . 15421 1 37 . 1 1 5 5 ASN HB3 H 1 2.64 0.01 . 1 . . . . 5 ASN HB3 . 15421 1 38 . 1 1 5 5 ASN HD21 H 1 7.61 0.01 . 1 . . . . 5 ASN HD21 . 15421 1 39 . 1 1 5 5 ASN HD22 H 1 6.9 0.01 . 1 . . . . 5 ASN HD22 . 15421 1 40 . 1 1 5 5 ASN N N 15 120.96 0.1 . 1 . . . . 5 ASN N . 15421 1 41 . 1 1 5 5 ASN ND2 N 15 111.89 0.01 . 1 . . . . 5 ASN ND2 . 15421 1 42 . 1 1 6 6 VAL H H 1 8.02 0.01 . 1 . . . . 6 VAL H . 15421 1 43 . 1 1 6 6 VAL HA H 1 4.2 0.1 . 1 . . . . 6 VAL HA . 15421 1 44 . 1 1 6 6 VAL HB H 1 1.48 0.01 . 1 . . . . 6 VAL HB . 15421 1 45 . 1 1 6 6 VAL HG11 H 1 1 0.01 . 1 . . . . 6 VAL HG1 . 15421 1 46 . 1 1 6 6 VAL HG12 H 1 1 0.01 . 1 . . . . 6 VAL HG1 . 15421 1 47 . 1 1 6 6 VAL HG13 H 1 1 0.01 . 1 . . . . 6 VAL HG1 . 15421 1 48 . 1 1 6 6 VAL HG21 H 1 0.9 0.01 . 1 . . . . 6 VAL HG2 . 15421 1 49 . 1 1 6 6 VAL HG22 H 1 0.9 0.01 . 1 . . . . 6 VAL HG2 . 15421 1 50 . 1 1 6 6 VAL HG23 H 1 0.9 0.01 . 1 . . . . 6 VAL HG2 . 15421 1 51 . 1 1 6 6 VAL N N 15 121.46 0.1 . 1 . . . . 6 VAL N . 15421 1 52 . 1 1 7 7 SER H H 1 8.64 0.01 . 1 . . . . 7 SER H . 15421 1 53 . 1 1 7 7 SER HA H 1 5.08 0.01 . 1 . . . . 7 SER HA . 15421 1 54 . 1 1 7 7 SER HB2 H 1 3.98 0.01 . 1 . . . . 7 SER HB2 . 15421 1 55 . 1 1 7 7 SER HB3 H 1 3.91 0.01 . 1 . . . . 7 SER HB3 . 15421 1 56 . 1 1 7 7 SER N N 15 122.45 0.1 . 1 . . . . 7 SER N . 15421 1 57 . 1 1 8 8 CYS H H 1 7.99 0.01 . 1 . . . . 8 CYS H . 15421 1 58 . 1 1 8 8 CYS HA H 1 4.94 0.01 . 1 . . . . 8 CYS HA . 15421 1 59 . 1 1 8 8 CYS HB2 H 1 3.21 0.01 . 1 . . . . 8 CYS HB2 . 15421 1 60 . 1 1 8 8 CYS HB3 H 1 2.95 0.01 . 1 . . . . 8 CYS HB3 . 15421 1 61 . 1 1 8 8 CYS N N 15 114.99 0.1 . 1 . . . . 8 CYS N . 15421 1 62 . 1 1 9 9 THR H H 1 9.33 0.01 . 1 . . . . 9 THR H . 15421 1 63 . 1 1 9 9 THR HA H 1 4.47 0.01 . 1 . . . . 9 THR HA . 15421 1 64 . 1 1 9 9 THR HB H 1 4.39 0.01 . 1 . . . . 9 THR HB . 15421 1 65 . 1 1 9 9 THR HG21 H 1 1.21 0.01 . 1 . . . . 9 THR HG2 . 15421 1 66 . 1 1 9 9 THR HG22 H 1 1.21 0.01 . 1 . . . . 9 THR HG2 . 15421 1 67 . 1 1 9 9 THR HG23 H 1 1.21 0.01 . 1 . . . . 9 THR HG2 . 15421 1 68 . 1 1 9 9 THR N N 15 108.53 0.1 . 1 . . . . 9 THR N . 15421 1 69 . 1 1 10 10 GLY H H 1 7.72 0.01 . 1 . . . . 10 GLY H . 15421 1 70 . 1 1 10 10 GLY HA2 H 1 4.51 0.01 . 1 . . . . 10 GLY HA2 . 15421 1 71 . 1 1 10 10 GLY HA3 H 1 4.07 0.01 . 1 . . . . 10 GLY HA3 . 15421 1 72 . 1 1 10 10 GLY N N 15 109.52 0.1 . 1 . . . . 10 GLY N . 15421 1 73 . 1 1 11 11 SER H H 1 9.36 0.01 . 1 . . . . 11 SER H . 15421 1 74 . 1 1 11 11 SER HA H 1 4.21 0.01 . 1 . . . . 11 SER HA . 15421 1 75 . 1 1 11 11 SER HB2 H 1 4.06 0.01 . 1 . . . . 11 SER HB2 . 15421 1 76 . 1 1 11 11 SER N N 15 119.47 0.1 . 1 . . . . 11 SER N . 15421 1 77 . 1 1 12 12 PRO HA H 1 4.36 0.01 . 1 . . . . 12 PRO HA . 15421 1 78 . 1 1 12 12 PRO HB2 H 1 2.51 0.01 . 1 . . . . 12 PRO HB2 . 15421 1 79 . 1 1 12 12 PRO HB3 H 1 1.9 0.01 . 1 . . . . 12 PRO HB3 . 15421 1 80 . 1 1 12 12 PRO HD2 H 1 3.86 0.01 . 1 . . . . 12 PRO HD2 . 15421 1 81 . 1 1 12 12 PRO HD3 H 1 3.68 0.01 . 1 . . . . 12 PRO HD3 . 15421 1 82 . 1 1 12 12 PRO HG2 H 1 2.2 0.01 . 1 . . . . 12 PRO HG2 . 15421 1 83 . 1 1 12 12 PRO HG3 H 1 2.05 0.01 . 1 . . . . 12 PRO HG3 . 15421 1 84 . 1 1 13 13 GLN H H 1 7.33 0.01 . 1 . . . . 13 GLN H . 15421 1 85 . 1 1 13 13 GLN HA H 1 4.22 0.01 . 1 . . . . 13 GLN HA . 15421 1 86 . 1 1 13 13 GLN HB2 H 1 2.42 0.01 . 2 . . . . 13 GLN HB2 . 15421 1 87 . 1 1 13 13 GLN HB3 H 1 2.26 0.01 . 1 . . . . 13 GLN HB3 . 15421 1 88 . 1 1 13 13 GLN HE21 H 1 7.65 0.01 . 1 . . . . 13 GLN HE21 . 15421 1 89 . 1 1 13 13 GLN HE22 H 1 6.95 0.01 . 1 . . . . 13 GLN HE22 . 15421 1 90 . 1 1 13 13 GLN HG2 H 1 2.58 0.01 . 1 . . . . 13 GLN HG2 . 15421 1 91 . 1 1 13 13 GLN HG3 H 1 2.42 0.01 . 2 . . . . 13 GLN HG3 . 15421 1 92 . 1 1 13 13 GLN N N 15 112.5 0.1 . 1 . . . . 13 GLN N . 15421 1 93 . 1 1 13 13 GLN NE2 N 15 112.02 0.1 . 1 . . . . 13 GLN NE2 . 15421 1 94 . 1 1 14 14 CYS H H 1 8.3 0.01 . 1 . . . . 14 CYS H . 15421 1 95 . 1 1 14 14 CYS HA H 1 4.80 0.01 . 1 . . . . 14 CYS HA . 15421 1 96 . 1 1 14 14 CYS HB2 H 1 3.12 0.01 . 1 . . . . 14 CYS HB2 . 15421 1 97 . 1 1 14 14 CYS HB3 H 1 2.6 0.01 . 1 . . . . 14 CYS HB3 . 15421 1 98 . 1 1 14 14 CYS N N 15 112.5 0.1 . 1 . . . . 14 CYS N . 15421 1 99 . 1 1 15 15 ILE H H 1 7.22 0.01 . 1 . . . . 15 ILE H . 15421 1 100 . 1 1 15 15 ILE HA H 1 3.82 0.01 . 1 . . . . 15 ILE HA . 15421 1 101 . 1 1 15 15 ILE HB H 1 1.96 0.01 . 1 . . . . 15 ILE HB . 15421 1 102 . 1 1 15 15 ILE HD11 H 1 0.94 0.01 . 1 . . . . 15 ILE HD1 . 15421 1 103 . 1 1 15 15 ILE HD12 H 1 0.94 0.01 . 1 . . . . 15 ILE HD1 . 15421 1 104 . 1 1 15 15 ILE HD13 H 1 0.94 0.01 . 1 . . . . 15 ILE HD1 . 15421 1 105 . 1 1 15 15 ILE HG12 H 1 1.68 0.01 . 1 . . . . 15 ILE HG12 . 15421 1 106 . 1 1 15 15 ILE HG13 H 1 1.3 0.01 . 1 . . . . 15 ILE HG13 . 15421 1 107 . 1 1 15 15 ILE HG21 H 1 1.05 0.01 . 1 . . . . 15 ILE HG2 . 15421 1 108 . 1 1 15 15 ILE HG22 H 1 1.05 0.01 . 1 . . . . 15 ILE HG2 . 15421 1 109 . 1 1 15 15 ILE HG23 H 1 1.05 0.01 . 1 . . . . 15 ILE HG2 . 15421 1 110 . 1 1 15 15 ILE N N 15 121.95 0.1 . 1 . . . . 15 ILE N . 15421 1 111 . 1 1 16 16 LYS H H 1 9.02 0.01 . 1 . . . . 16 LYS H . 15421 1 112 . 1 1 16 16 LYS HA H 1 4.29 0.01 . 1 . . . . 16 LYS HA . 15421 1 113 . 1 1 16 16 LYS HB2 H 1 1.97 0.01 . 1 . . . . 16 LYS HB2 . 15421 1 114 . 1 1 16 16 LYS HB3 H 1 1.85 0.01 . 1 . . . . 16 LYS HB3 . 15421 1 115 . 1 1 16 16 LYS HD2 H 1 1.66 0.01 . 1 . . . . 16 LYS HD2 . 15421 1 116 . 1 1 16 16 LYS HD3 H 1 1.77 0.01 . 1 . . . . 16 LYS HD3 . 15421 1 117 . 1 1 16 16 LYS HE2 H 1 3.09 0.01 . 1 . . . . 16 LYS HE2 . 15421 1 118 . 1 1 16 16 LYS HG2 H 1 1.42 0.01 . 2 . . . . 16 LYS HG2 . 15421 1 119 . 1 1 16 16 LYS HG3 H 1 1.42 0.01 . 2 . . . . 16 LYS HG3 . 15421 1 120 . 1 1 16 16 LYS N N 15 119.96 0.1 . 1 . . . . 16 LYS N . 15421 1 121 . 1 1 17 17 PRO HA H 1 4.37 0.01 . 1 . . . . 17 PRO HA . 15421 1 122 . 1 1 17 17 PRO HB2 H 1 2.36 0.01 . 1 . . . . 17 PRO HB2 . 15421 1 123 . 1 1 17 17 PRO HB3 H 1 1.73 0.01 . 1 . . . . 17 PRO HB3 . 15421 1 124 . 1 1 17 17 PRO HD2 H 1 3.68 0.01 . 1 . . . . 17 PRO HD2 . 15421 1 125 . 1 1 17 17 PRO HD3 H 1 3.6 0.01 . 1 . . . . 17 PRO HD3 . 15421 1 126 . 1 1 17 17 PRO HG2 H 1 2.4 0.01 . 1 . . . . 17 PRO HG2 . 15421 1 127 . 1 1 17 17 PRO HG3 H 1 2.18 0.01 . 1 . . . . 17 PRO HG3 . 15421 1 128 . 1 1 18 18 CYS H H 1 7.67 0.01 . 1 . . . . 18 CYS H . 15421 1 129 . 1 1 18 18 CYS HA H 1 4.47 0.01 . 1 . . . . 18 CYS HA . 15421 1 130 . 1 1 18 18 CYS HB2 H 1 3.04 0.01 . 1 . . . . 18 CYS HB2 . 15421 1 131 . 1 1 18 18 CYS HB3 H 1 2.41 0.01 . 1 . . . . 18 CYS HB3 . 15421 1 132 . 1 1 18 18 CYS N N 15 113 0.1 . 1 . . . . 18 CYS N . 15421 1 133 . 1 1 19 19 LYS H H 1 8.1 0.01 . 1 . . . . 19 LYS H . 15421 1 134 . 1 1 19 19 LYS HA H 1 4.29 0.01 . 1 . . . . 19 LYS HA . 15421 1 135 . 1 1 19 19 LYS HB2 H 1 1.99 0.01 . 1 . . . . 19 LYS HB2 . 15421 1 136 . 1 1 19 19 LYS HB3 H 1 1.96 0.01 . 1 . . . . 19 LYS HB3 . 15421 1 137 . 1 1 19 19 LYS HD2 H 1 1.69 0.01 . 2 . . . . 19 LYS HD2 . 15421 1 138 . 1 1 19 19 LYS HD3 H 1 1.69 0.01 . 2 . . . . 19 LYS HD3 . 15421 1 139 . 1 1 19 19 LYS HE2 H 1 3.05 0.01 . 1 . . . . 19 LYS HE2 . 15421 1 140 . 1 1 19 19 LYS HG2 H 1 1.58 0.01 . 1 . . . . 19 LYS HG2 . 15421 1 141 . 1 1 19 19 LYS HG3 H 1 1.52 0.01 . 1 . . . . 19 LYS HG3 . 15421 1 142 . 1 1 19 19 LYS N N 15 123.45 0.1 . 1 . . . . 19 LYS N . 15421 1 143 . 1 1 20 20 ASP H H 1 9.15 0.01 . 1 . . . . 20 ASP H . 15421 1 144 . 1 1 20 20 ASP HA H 1 4.39 0.01 . 1 . . . . 20 ASP HA . 15421 1 145 . 1 1 20 20 ASP HB2 H 1 2.73 0.01 . 2 . . . . 20 ASP HB2 . 15421 1 146 . 1 1 20 20 ASP HB3 H 1 2.73 0.01 . 2 . . . . 20 ASP HB3 . 15421 1 147 . 1 1 20 20 ASP N N 15 122.45 0.1 . 1 . . . . 20 ASP N . 15421 1 148 . 1 1 21 21 ALA H H 1 7.38 0.01 . 1 . . . . 21 ALA H . 15421 1 149 . 1 1 21 21 ALA HA H 1 4.48 0.01 . 1 . . . . 21 ALA HA . 15421 1 150 . 1 1 21 21 ALA HB1 H 1 1.52 0.01 . 1 . . . . 21 ALA HB . 15421 1 151 . 1 1 21 21 ALA HB2 H 1 1.52 0.01 . 1 . . . . 21 ALA HB . 15421 1 152 . 1 1 21 21 ALA HB3 H 1 1.52 0.01 . 1 . . . . 21 ALA HB . 15421 1 153 . 1 1 21 21 ALA N N 15 119.47 0.1 . 1 . . . . 21 ALA N . 15421 1 154 . 1 1 22 22 GLY H H 1 8.09 0.01 . 1 . . . . 22 GLY H . 15421 1 155 . 1 1 22 22 GLY HA2 H 1 4.16 0.01 . 1 . . . . 22 GLY HA2 . 15421 1 156 . 1 1 22 22 GLY HA3 H 1 3.87 0.01 . 1 . . . . 22 GLY HA3 . 15421 1 157 . 1 1 22 22 GLY N N 15 106.54 0.1 . 1 . . . . 22 GLY N . 15421 1 158 . 1 1 23 23 MET H H 1 8.18 0.01 . 1 . . . . 23 MET H . 15421 1 159 . 1 1 23 23 MET HA H 1 4.65 0.01 . 1 . . . . 23 MET HA . 15421 1 160 . 1 1 23 23 MET HB2 H 1 2.15 0.01 . 1 . . . . 23 MET HB2 . 15421 1 161 . 1 1 23 23 MET HB3 H 1 1.82 0.01 . 1 . . . . 23 MET HB3 . 15421 1 162 . 1 1 23 23 MET HE1 H 1 1.96 0.01 . 1 . . . . 23 MET HE . 15421 1 163 . 1 1 23 23 MET HE2 H 1 1.96 0.01 . 1 . . . . 23 MET HE . 15421 1 164 . 1 1 23 23 MET HE3 H 1 1.96 0.01 . 1 . . . . 23 MET HE . 15421 1 165 . 1 1 23 23 MET HG2 H 1 2.48 0.01 . 1 . . . . 23 MET HG2 . 15421 1 166 . 1 1 23 23 MET HG3 H 1 2.35 0.01 . 1 . . . . 23 MET HG3 . 15421 1 167 . 1 1 23 23 MET N N 15 118.97 0.1 . 1 . . . . 23 MET N . 15421 1 168 . 1 1 24 24 ARG H H 1 8.43 0.01 . 1 . . . . 24 ARG H . 15421 1 169 . 1 1 24 24 ARG HA H 1 4.48 0.01 . 1 . . . . 24 ARG HA . 15421 1 170 . 1 1 24 24 ARG HB2 H 1 1.38 0.01 . 2 . . . . 24 ARG HB2 . 15421 1 171 . 1 1 24 24 ARG HB3 H 1 1.38 0.01 . 2 . . . . 24 ARG HB3 . 15421 1 172 . 1 1 24 24 ARG HD2 H 1 2.86 0.01 . 1 . . . . 24 ARG HD2 . 15421 1 173 . 1 1 24 24 ARG HD3 H 1 2.75 0.01 . 1 . . . . 24 ARG HD3 . 15421 1 174 . 1 1 24 24 ARG HE H 1 6.83 0.01 . 1 . . . . 24 ARG HE . 15421 1 175 . 1 1 24 24 ARG HG2 H 1 1.2 0.01 . 1 . . . . 24 ARG HG2 . 15421 1 176 . 1 1 24 24 ARG HG3 H 1 1.06 0.01 . 1 . . . . 24 ARG HG3 . 15421 1 177 . 1 1 24 24 ARG N N 15 115.49 0.1 . 1 . . . . 24 ARG N . 15421 1 178 . 1 1 25 25 PHE H H 1 8.2 0.01 . 1 . . . . 25 PHE H . 15421 1 179 . 1 1 25 25 PHE HA H 1 4.49 0.01 . 1 . . . . 25 PHE HA . 15421 1 180 . 1 1 25 25 PHE HB2 H 1 3.26 0.01 . 1 . . . . 25 PHE HB2 . 15421 1 181 . 1 1 25 25 PHE HB3 H 1 3.21 0.01 . 1 . . . . 25 PHE HB3 . 15421 1 182 . 1 1 25 25 PHE N N 15 114.49 0.1 . 1 . . . . 25 PHE N . 15421 1 183 . 1 1 26 26 GLY H H 1 7.91 0.01 . 1 . . . . 26 GLY H . 15421 1 184 . 1 1 26 26 GLY HA2 H 1 4.65 0.01 . 1 . . . . 26 GLY HA2 . 15421 1 185 . 1 1 26 26 GLY HA3 H 1 3.82 0.01 . 1 . . . . 26 GLY HA3 . 15421 1 186 . 1 1 26 26 GLY N N 15 107.03 0.1 . 1 . . . . 26 GLY N . 15421 1 187 . 1 1 27 27 LYS H H 1 8.8 0.01 . 1 . . . . 27 LYS H . 15421 1 188 . 1 1 27 27 LYS HA H 1 4.64 0.01 . 1 . . . . 27 LYS HA . 15421 1 189 . 1 1 27 27 LYS HB2 H 1 1.74 0.01 . 2 . . . . 27 LYS HB2 . 15421 1 190 . 1 1 27 27 LYS HB3 H 1 1.74 0.01 . 2 . . . . 27 LYS HB3 . 15421 1 191 . 1 1 27 27 LYS HD2 H 1 3.02 0.01 . 1 . . . . 27 LYS HD2 . 15421 1 192 . 1 1 27 27 LYS HG2 H 1 1.31 0.01 . 2 . . . . 27 LYS HG2 . 15421 1 193 . 1 1 27 27 LYS HG3 H 1 1.31 0.01 . 2 . . . . 27 LYS HG3 . 15421 1 194 . 1 1 27 27 LYS N N 15 121.95 0.1 . 1 . . . . 27 LYS N . 15421 1 195 . 1 1 28 28 CYS H H 1 8.84 0.01 . 1 . . . . 28 CYS H . 15421 1 196 . 1 1 28 28 CYS HA H 1 4.91 0.01 . 1 . . . . 28 CYS HA . 15421 1 197 . 1 1 28 28 CYS HB2 H 1 2.85 0.01 . 1 . . . . 28 CYS HB2 . 15421 1 198 . 1 1 28 28 CYS HB3 H 1 2.5 0.01 . 1 . . . . 28 CYS HB3 . 15421 1 199 . 1 1 28 28 CYS N N 15 125.43 0.1 . 1 . . . . 28 CYS N . 15421 1 200 . 1 1 29 29 MET H H 1 8.85 0.01 . 1 . . . . 29 MET H . 15421 1 201 . 1 1 29 29 MET HA H 1 4.65 0.01 . 1 . . . . 29 MET HA . 15421 1 202 . 1 1 29 29 MET HB2 H 1 1.71 0.01 . 1 . . . . 29 MET HB2 . 15421 1 203 . 1 1 29 29 MET HB3 H 1 1.38 0.01 . 1 . . . . 29 MET HB3 . 15421 1 204 . 1 1 29 29 MET HE1 H 1 1.74 0.01 . 1 . . . . 29 MET HE . 15421 1 205 . 1 1 29 29 MET HE2 H 1 1.74 0.01 . 1 . . . . 29 MET HE . 15421 1 206 . 1 1 29 29 MET HE3 H 1 1.74 0.01 . 1 . . . . 29 MET HE . 15421 1 207 . 1 1 29 29 MET HG2 H 1 2.23 0.01 . 1 . . . . 29 MET HG2 . 15421 1 208 . 1 1 29 29 MET HG3 H 1 2.15 0.01 . 1 . . . . 29 MET HG3 . 15421 1 209 . 1 1 29 29 MET N N 15 128.92 0.1 . 1 . . . . 29 MET N . 15421 1 210 . 1 1 30 30 ASN H H 1 9.44 0.01 . 1 . . . . 30 ASN H . 15421 1 211 . 1 1 30 30 ASN HA H 1 4.34 0.01 . 1 . . . . 30 ASN HA . 15421 1 212 . 1 1 30 30 ASN HB2 H 1 3.06 0.01 . 1 . . . . 30 ASN HB2 . 15421 1 213 . 1 1 30 30 ASN HB3 H 1 2.77 0.01 . 1 . . . . 30 ASN HB3 . 15421 1 214 . 1 1 30 30 ASN HD21 H 1 7.59 0.01 . 1 . . . . 30 ASN HD21 . 15421 1 215 . 1 1 30 30 ASN HD22 H 1 6.92 0.01 . 1 . . . . 30 ASN HD22 . 15421 1 216 . 1 1 30 30 ASN N N 15 124.44 0.1 . 1 . . . . 30 ASN N . 15421 1 217 . 1 1 30 30 ASN ND2 N 15 112.24 0.1 . 1 . . . . 30 ASN ND2 . 15421 1 218 . 1 1 31 31 ARG H H 1 8.58 0.01 . 1 . . . . 31 ARG H . 15421 1 219 . 1 1 31 31 ARG HA H 1 4.1 0.01 . 1 . . . . 31 ARG HA . 15421 1 220 . 1 1 31 31 ARG HB2 H 1 2.34 0.01 . 1 . . . . 31 ARG HB2 . 15421 1 221 . 1 1 31 31 ARG HB3 H 1 2.21 0.01 . 1 . . . . 31 ARG HB3 . 15421 1 222 . 1 1 31 31 ARG HD2 H 1 3.28 0.01 . 2 . . . . 31 ARG HD2 . 15421 1 223 . 1 1 31 31 ARG HD3 H 1 3.28 0.01 . 2 . . . . 31 ARG HD3 . 15421 1 224 . 1 1 31 31 ARG HE H 1 7.14 0.01 . 1 . . . . 31 ARG HE . 15421 1 225 . 1 1 31 31 ARG HG2 H 1 1.66 0.01 . 2 . . . . 31 ARG HG2 . 15421 1 226 . 1 1 31 31 ARG HG3 H 1 1.66 0.01 . 2 . . . . 31 ARG HG3 . 15421 1 227 . 1 1 31 31 ARG N N 15 106.04 0.1 . 1 . . . . 31 ARG N . 15421 1 228 . 1 1 32 32 LYS H H 1 7.84 0.01 . 1 . . . . 32 LYS H . 15421 1 229 . 1 1 32 32 LYS HA H 1 5.32 0.01 . 1 . . . . 32 LYS HA . 15421 1 230 . 1 1 32 32 LYS HB2 H 1 1.96 0.01 . 1 . . . . 32 LYS HB2 . 15421 1 231 . 1 1 32 32 LYS HB3 H 1 1.86 0.01 . 1 . . . . 32 LYS HB3 . 15421 1 232 . 1 1 32 32 LYS HD2 H 1 1.65 0.01 . 2 . . . . 32 LYS HD2 . 15421 1 233 . 1 1 32 32 LYS HD3 H 1 1.65 0.01 . 2 . . . . 32 LYS HD3 . 15421 1 234 . 1 1 32 32 LYS HE2 H 1 3.04 0.01 . 2 . . . . 32 LYS HE2 . 15421 1 235 . 1 1 32 32 LYS HE3 H 1 3.04 0.01 . 2 . . . . 32 LYS HE3 . 15421 1 236 . 1 1 32 32 LYS HG2 H 1 1.6 0.01 . 1 . . . . 32 LYS HG2 . 15421 1 237 . 1 1 32 32 LYS HG3 H 1 1.55 0.01 . 1 . . . . 32 LYS HG3 . 15421 1 238 . 1 1 32 32 LYS N N 15 118.97 0.1 . 1 . . . . 32 LYS N . 15421 1 239 . 1 1 33 33 CYS H H 1 8.61 0.01 . 1 . . . . 33 CYS H . 15421 1 240 . 1 1 33 33 CYS HA H 1 5.09 0.01 . 1 . . . . 33 CYS HA . 15421 1 241 . 1 1 33 33 CYS HB2 H 1 2.68 0.01 . 1 . . . . 33 CYS HB2 . 15421 1 242 . 1 1 33 33 CYS HB3 H 1 2.56 0.01 . 1 . . . . 33 CYS HB3 . 15421 1 243 . 1 1 33 33 CYS N N 15 121.46 0.1 . 1 . . . . 33 CYS N . 15421 1 244 . 1 1 34 34 HIS H H 1 9.49 0.01 . 1 . . . . 34 HIS H . 15421 1 245 . 1 1 34 34 HIS HA H 1 5.21 0.01 . 1 . . . . 34 HIS HA . 15421 1 246 . 1 1 34 34 HIS HB2 H 1 3.13 0.01 . 1 . . . . 34 HIS HB2 . 15421 1 247 . 1 1 34 34 HIS HB3 H 1 3.02 0.01 . 1 . . . . 34 HIS HB3 . 15421 1 248 . 1 1 34 34 HIS HD1 H 1 7.31 0.01 . 1 . . . . 34 HIS HD1 . 15421 1 249 . 1 1 34 34 HIS HE1 H 1 8.66 0.01 . 1 . . . . 34 HIS HE1 . 15421 1 250 . 1 1 34 34 HIS N N 15 120.46 0.1 . 1 . . . . 34 HIS N . 15421 1 251 . 1 1 35 35 CYS H H 1 9.18 0.01 . 1 . . . . 35 CYS H . 15421 1 252 . 1 1 35 35 CYS HA H 1 5.33 0.01 . 1 . . . . 35 CYS HA . 15421 1 253 . 1 1 35 35 CYS HB2 H 1 3.13 0.01 . 1 . . . . 35 CYS HB2 . 15421 1 254 . 1 1 35 35 CYS HB3 H 1 2.74 0.01 . 1 . . . . 35 CYS HB3 . 15421 1 255 . 1 1 35 35 CYS N N 15 120.46 0.1 . 1 . . . . 35 CYS N . 15421 1 256 . 1 1 36 36 THR H H 1 8.8 0.01 . 1 . . . . 36 THR H . 15421 1 257 . 1 1 36 36 THR HA H 1 4.98 0.01 . 1 . . . . 36 THR HA . 15421 1 258 . 1 1 36 36 THR HB H 1 3.96 0.01 . 1 . . . . 36 THR HB . 15421 1 259 . 1 1 36 36 THR HG21 H 1 1.4 0.01 . 1 . . . . 36 THR HG1 . 15421 1 260 . 1 1 36 36 THR HG22 H 1 1.4 0.01 . 1 . . . . 36 THR HG1 . 15421 1 261 . 1 1 36 36 THR HG23 H 1 1.4 0.01 . 1 . . . . 36 THR HG1 . 15421 1 262 . 1 1 36 36 THR N N 15 117.98 0.1 . 1 . . . . 36 THR N . 15421 1 263 . 1 1 37 37 PRO HA H 1 4.47 0.01 . 1 . . . . 37 PRO HA . 15421 1 264 . 1 1 37 37 PRO HB2 H 1 2.4 0.01 . 1 . . . . 37 PRO HB2 . 15421 1 265 . 1 1 37 37 PRO HB3 H 1 2.08 0.01 . 1 . . . . 37 PRO HB3 . 15421 1 266 . 1 1 37 37 PRO HD2 H 1 3.97 0.01 . 2 . . . . 37 PRO HD2 . 15421 1 267 . 1 1 37 37 PRO HD3 H 1 3.97 0.01 . 2 . . . . 37 PRO HD3 . 15421 1 268 . 1 1 37 37 PRO HG2 H 1 2.16 0.01 . 1 . . . . 37 PRO HG2 . 15421 1 269 . 1 1 37 37 PRO HG3 H 1 2.04 0.01 . 1 . . . . 37 PRO HG3 . 15421 1 270 . 1 1 38 38 LYS H H 1 8.29 0.01 . 1 . . . . 38 LYS H . 15421 1 271 . 1 1 38 38 LYS HA H 1 3.9 0.01 . 1 . . . . 38 LYS HA . 15421 1 272 . 1 1 38 38 LYS HB2 H 1 1.74 0.01 . 2 . . . . 38 LYS HB2 . 15421 1 273 . 1 1 38 38 LYS HB3 H 1 1.74 0.01 . 2 . . . . 38 LYS HB3 . 15421 1 274 . 1 1 38 38 LYS HD2 H 1 1.66 0.01 . 2 . . . . 38 LYS HD2 . 15421 1 275 . 1 1 38 38 LYS HD3 H 1 1.66 0.01 . 2 . . . . 38 LYS HD3 . 15421 1 276 . 1 1 38 38 LYS HG2 H 1 1.37 0.01 . 2 . . . . 38 LYS HG2 . 15421 1 277 . 1 1 38 38 LYS HG3 H 1 1.37 0.01 . 2 . . . . 38 LYS HG3 . 15421 1 278 . 1 1 38 38 LYS N N 15 124.94 0.1 . 1 . . . . 38 LYS N . 15421 1 stop_ save_