################################### # 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 19810 _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 NOESY' . . . 19810 1 2 '2D 1H-1H TOCSY' . . . 19810 1 3 '2D 1H-1H COSY' . . . 19810 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 VAL HA H 1 3.643 0.003 . 1 . . . A 1 VAL HA . 19810 1 2 . 1 1 1 1 VAL HB H 1 1.990 0.004 . 1 . . . A 1 VAL HB . 19810 1 3 . 1 1 1 1 VAL HG11 H 1 1.058 0.002 . 1 . . . A 1 VAL HG11 . 19810 1 4 . 1 1 1 1 VAL HG12 H 1 1.058 0.002 . 1 . . . A 1 VAL HG12 . 19810 1 5 . 1 1 1 1 VAL HG13 H 1 1.058 0.002 . 1 . . . A 1 VAL HG13 . 19810 1 6 . 1 1 1 1 VAL HG21 H 1 0.902 0.002 . 1 . . . A 1 VAL HG21 . 19810 1 7 . 1 1 1 1 VAL HG22 H 1 0.902 0.002 . 1 . . . A 1 VAL HG22 . 19810 1 8 . 1 1 1 1 VAL HG23 H 1 0.902 0.002 . 1 . . . A 1 VAL HG23 . 19810 1 9 . 1 1 2 2 GLY H H 1 9.115 0.004 . 1 . . . A 2 GLY H . 19810 1 10 . 1 1 2 2 GLY HA2 H 1 4.594 0.009 . 2 . . . A 2 GLY HA2 . 19810 1 11 . 1 1 2 2 GLY HA3 H 1 3.796 0.002 . 2 . . . A 2 GLY HA3 . 19810 1 12 . 1 1 3 3 ILE H H 1 8.105 0.006 . 1 . . . A 3 ILE H . 19810 1 13 . 1 1 3 3 ILE HA H 1 4.668 0.001 . 1 . . . A 3 ILE HA . 19810 1 14 . 1 1 3 3 ILE HB H 1 1.933 0.001 . 1 . . . A 3 ILE HB . 19810 1 15 . 1 1 3 3 ILE HG12 H 1 1.027 0.002 . 2 . . . A 3 ILE HG12 . 19810 1 16 . 1 1 3 3 ILE HG13 H 1 0.991 0.001 . 2 . . . A 3 ILE HG13 . 19810 1 17 . 1 1 3 3 ILE HG21 H 1 0.759 0.001 . 1 . . . A 3 ILE HG21 . 19810 1 18 . 1 1 3 3 ILE HG22 H 1 0.759 0.001 . 1 . . . A 3 ILE HG22 . 19810 1 19 . 1 1 3 3 ILE HG23 H 1 0.759 0.001 . 1 . . . A 3 ILE HG23 . 19810 1 20 . 1 1 3 3 ILE HD11 H 1 0.599 0.001 . 1 . . . A 3 ILE HD11 . 19810 1 21 . 1 1 3 3 ILE HD12 H 1 0.599 0.001 . 1 . . . A 3 ILE HD12 . 19810 1 22 . 1 1 3 3 ILE HD13 H 1 0.599 0.001 . 1 . . . A 3 ILE HD13 . 19810 1 23 . 1 1 4 4 ASN H H 1 8.843 0.001 . 1 . . . A 4 ASN H . 19810 1 24 . 1 1 4 4 ASN HA H 1 4.683 0.002 . 1 . . . A 4 ASN HA . 19810 1 25 . 1 1 4 4 ASN HB2 H 1 2.955 0.003 . 2 . . . A 4 ASN HB2 . 19810 1 26 . 1 1 4 4 ASN HB3 H 1 2.605 0.001 . 2 . . . A 4 ASN HB3 . 19810 1 27 . 1 1 4 4 ASN HD21 H 1 7.618 0.003 . 2 . . . A 4 ASN HD21 . 19810 1 28 . 1 1 4 4 ASN HD22 H 1 6.889 0.002 . 2 . . . A 4 ASN HD22 . 19810 1 29 . 1 1 5 5 VAL H H 1 7.632 0.006 . 1 . . . A 5 VAL H . 19810 1 30 . 1 1 5 5 VAL HA H 1 4.122 0.003 . 1 . . . A 5 VAL HA . 19810 1 31 . 1 1 5 5 VAL HB H 1 1.282 0.003 . 1 . . . A 5 VAL HB . 19810 1 32 . 1 1 5 5 VAL HG11 H 1 0.903 0.001 . 1 . . . A 5 VAL HG11 . 19810 1 33 . 1 1 5 5 VAL HG12 H 1 0.903 0.001 . 1 . . . A 5 VAL HG12 . 19810 1 34 . 1 1 5 5 VAL HG13 H 1 0.903 0.001 . 1 . . . A 5 VAL HG13 . 19810 1 35 . 1 1 5 5 VAL HG21 H 1 0.833 0.002 . 1 . . . A 5 VAL HG21 . 19810 1 36 . 1 1 5 5 VAL HG22 H 1 0.833 0.002 . 1 . . . A 5 VAL HG22 . 19810 1 37 . 1 1 5 5 VAL HG23 H 1 0.833 0.002 . 1 . . . A 5 VAL HG23 . 19810 1 38 . 1 1 6 6 LYS H H 1 8.497 0.001 . 1 . . . A 6 LYS H . 19810 1 39 . 1 1 6 6 LYS HA H 1 4.771 0.009 . 1 . . . A 6 LYS HA . 19810 1 40 . 1 1 6 6 LYS HB2 H 1 1.818 0.004 . 2 . . . A 6 LYS HB2 . 19810 1 41 . 1 1 6 6 LYS HB3 H 1 1.684 0.001 . 2 . . . A 6 LYS HB3 . 19810 1 42 . 1 1 6 6 LYS HG2 H 1 1.382 0.004 . 1 . . . A 6 LYS HG2 . 19810 1 43 . 1 1 6 6 LYS HG3 H 1 1.382 0.004 . 1 . . . A 6 LYS HG3 . 19810 1 44 . 1 1 6 6 LYS HD2 H 1 1.529 0.001 . 1 . . . A 6 LYS HD2 . 19810 1 45 . 1 1 6 6 LYS HD3 H 1 1.529 0.001 . 1 . . . A 6 LYS HD3 . 19810 1 46 . 1 1 6 6 LYS HE2 H 1 2.963 0.002 . 1 . . . A 6 LYS HE2 . 19810 1 47 . 1 1 6 6 LYS HE3 H 1 2.963 0.002 . 1 . . . A 6 LYS HE3 . 19810 1 48 . 1 1 7 7 CYS H H 1 8.063 0.008 . 1 . . . A 7 CYS H . 19810 1 49 . 1 1 7 7 CYS HA H 1 4.608 0.002 . 1 . . . A 7 CYS HA . 19810 1 50 . 1 1 7 7 CYS HB2 H 1 2.957 0.002 . 2 . . . A 7 CYS HB2 . 19810 1 51 . 1 1 7 7 CYS HB3 H 1 2.702 0.001 . 2 . . . A 7 CYS HB3 . 19810 1 52 . 1 1 8 8 LYS H H 1 8.962 0.008 . 1 . . . A 8 LYS H . 19810 1 53 . 1 1 8 8 LYS HA H 1 4.332 0.003 . 1 . . . A 8 LYS HA . 19810 1 54 . 1 1 8 8 LYS HB2 H 1 1.561 0.003 . 2 . . . A 8 LYS HB2 . 19810 1 55 . 1 1 8 8 LYS HB3 H 1 1.513 0.004 . 2 . . . A 8 LYS HB3 . 19810 1 56 . 1 1 8 8 LYS HG2 H 1 1.330 0.001 . 2 . . . A 8 LYS HG2 . 19810 1 57 . 1 1 8 8 LYS HG3 H 1 1.247 0.004 . 2 . . . A 8 LYS HG3 . 19810 1 58 . 1 1 8 8 LYS HD2 H 1 1.634 0.002 . 1 . . . A 8 LYS HD2 . 19810 1 59 . 1 1 8 8 LYS HD3 H 1 1.634 0.002 . 1 . . . A 8 LYS HD3 . 19810 1 60 . 1 1 8 8 LYS HE2 H 1 2.931 0.001 . 1 . . . A 8 LYS HE2 . 19810 1 61 . 1 1 8 8 LYS HE3 H 1 2.931 0.001 . 1 . . . A 8 LYS HE3 . 19810 1 62 . 1 1 9 9 HIS H H 1 8.069 0.007 . 1 . . . A 9 HIS H . 19810 1 63 . 1 1 9 9 HIS HA H 1 5.086 0.001 . 1 . . . A 9 HIS HA . 19810 1 64 . 1 1 9 9 HIS HB2 H 1 3.529 0.002 . 2 . . . A 9 HIS HB2 . 19810 1 65 . 1 1 9 9 HIS HB3 H 1 3.022 0.001 . 2 . . . A 9 HIS HB3 . 19810 1 66 . 1 1 9 9 HIS HD1 H 1 8.444 0.001 . 1 . . . A 9 HIS HD2 . 19810 1 67 . 1 1 9 9 HIS HE1 H 1 7.133 0.002 . 1 . . . A 9 HIS HE1 . 19810 1 68 . 1 1 10 10 SER H H 1 9.947 0.006 . 1 . . . A 10 SER H . 19810 1 69 . 1 1 10 10 SER HA H 1 4.790 0.002 . 1 . . . A 10 SER HA . 19810 1 70 . 1 1 10 10 SER HB2 H 1 4.118 0.001 . 2 . . . A 10 SER HB2 . 19810 1 71 . 1 1 10 10 SER HB3 H 1 3.961 0.002 . 2 . . . A 10 SER HB3 . 19810 1 72 . 1 1 11 11 GLY HA2 H 1 4.003 0.003 . 2 . . . A 11 GLY HA2 . 19810 1 73 . 1 1 11 11 GLY HA3 H 1 3.893 0.004 . 2 . . . A 11 GLY HA3 . 19810 1 74 . 1 1 12 12 GLN H H 1 7.448 0.002 . 1 . . . A 12 GLN H . 19810 1 75 . 1 1 12 12 GLN HA H 1 4.234 0.004 . 1 . . . A 12 GLN HA . 19810 1 76 . 1 1 12 12 GLN HB2 H 1 2.369 0.004 . 2 . . . A 12 GLN HB2 . 19810 1 77 . 1 1 12 12 GLN HB3 H 1 2.207 0.003 . 2 . . . A 12 GLN HB3 . 19810 1 78 . 1 1 12 12 GLN HG2 H 1 2.502 0.001 . 1 . . . A 12 GLN HG2 . 19810 1 79 . 1 1 12 12 GLN HG3 H 1 2.502 0.001 . 1 . . . A 12 GLN HG3 . 19810 1 80 . 1 1 12 12 GLN HE21 H 1 7.797 0.001 . 2 . . . A 12 GLN HE21 . 19810 1 81 . 1 1 12 12 GLN HE22 H 1 7.049 0.001 . 2 . . . A 12 GLN HE22 . 19810 1 82 . 1 1 13 13 CYS H H 1 8.045 0.005 . 1 . . . A 13 CYS H . 19810 1 83 . 1 1 13 13 CYS HA H 1 4.707 0.001 . 1 . . . A 13 CYS HA . 19810 1 84 . 1 1 13 13 CYS HB2 H 1 3.046 0.001 . 2 . . . A 13 CYS HB2 . 19810 1 85 . 1 1 13 13 CYS HB3 H 1 2.592 0.001 . 2 . . . A 13 CYS HB3 . 19810 1 86 . 1 1 14 14 LEU H H 1 7.068 0.005 . 1 . . . A 14 LEU H . 19810 1 87 . 1 1 14 14 LEU HA H 1 4.139 0.004 . 1 . . . A 14 LEU HA . 19810 1 88 . 1 1 14 14 LEU HB2 H 1 1.808 0.003 . 2 . . . A 14 LEU HB2 . 19810 1 89 . 1 1 14 14 LEU HB3 H 1 1.686 0.001 . 2 . . . A 14 LEU HB3 . 19810 1 90 . 1 1 14 14 LEU HD11 H 1 1.010 0.001 . 1 . . . A 14 LEU HD11 . 19810 1 91 . 1 1 14 14 LEU HD12 H 1 1.010 0.001 . 1 . . . A 14 LEU HD12 . 19810 1 92 . 1 1 14 14 LEU HD13 H 1 1.010 0.001 . 1 . . . A 14 LEU HD13 . 19810 1 93 . 1 1 14 14 LEU HD21 H 1 0.874 0.001 . 1 . . . A 14 LEU HD21 . 19810 1 94 . 1 1 14 14 LEU HD22 H 1 0.874 0.001 . 1 . . . A 14 LEU HD22 . 19810 1 95 . 1 1 14 14 LEU HD23 H 1 0.874 0.001 . 1 . . . A 14 LEU HD23 . 19810 1 96 . 1 1 15 15 LYS H H 1 9.046 0.001 . 1 . . . A 15 LYS H . 19810 1 97 . 1 1 15 15 LYS HA H 1 4.206 0.001 . 1 . . . A 15 LYS HA . 19810 1 98 . 1 1 15 15 LYS HB2 H 1 1.885 0.005 . 2 . . . A 15 LYS HB2 . 19810 1 99 . 1 1 15 15 LYS HB3 H 1 1.855 0.002 . 2 . . . A 15 LYS HB3 . 19810 1 100 . 1 1 15 15 LYS HG2 H 1 1.369 0.003 . 2 . . . A 15 LYS HG2 . 19810 1 101 . 1 1 15 15 LYS HG3 H 1 1.544 0.001 . 2 . . . A 15 LYS HG3 . 19810 1 102 . 1 1 15 15 LYS HD2 H 1 1.702 0.001 . 1 . . . A 15 LYS HD2 . 19810 1 103 . 1 1 15 15 LYS HD3 H 1 1.702 0.001 . 1 . . . A 15 LYS HD3 . 19810 1 104 . 1 1 15 15 LYS HE2 H 1 2.974 0.001 . 1 . . . A 15 LYS HE2 . 19810 1 105 . 1 1 15 15 LYS HE3 H 1 2.974 0.001 . 1 . . . A 15 LYS HE3 . 19810 1 106 . 1 1 16 16 PRO HA H 1 4.199 0.001 . 1 . . . A 16 PRO HA . 19810 1 107 . 1 1 16 16 PRO HB2 H 1 1.668 0.001 . 1 . . . A 16 PRO HB2 . 19810 1 108 . 1 1 16 16 PRO HB3 H 1 1.668 0.005 . 1 . . . A 16 PRO HB3 . 19810 1 109 . 1 1 16 16 PRO HG2 H 1 2.287 0.003 . 2 . . . A 16 PRO HG2 . 19810 1 110 . 1 1 16 16 PRO HG3 H 1 2.072 0.001 . 2 . . . A 16 PRO HG3 . 19810 1 111 . 1 1 16 16 PRO HD2 H 1 3.623 0.004 . 2 . . . A 16 PRO HD2 . 19810 1 112 . 1 1 16 16 PRO HD3 H 1 3.535 0.001 . 2 . . . A 16 PRO HD3 . 19810 1 113 . 1 1 17 17 CYS H H 1 7.954 0.003 . 1 . . . A 17 CYS H . 19810 1 114 . 1 1 17 17 CYS HA H 1 4.412 0.001 . 1 . . . A 17 CYS HA . 19810 1 115 . 1 1 17 17 CYS HB2 H 1 3.048 0.001 . 2 . . . A 17 CYS HB2 . 19810 1 116 . 1 1 17 17 CYS HB3 H 1 2.295 0.005 . 2 . . . A 17 CYS HB3 . 19810 1 117 . 1 1 18 18 LYS H H 1 7.828 0.001 . 1 . . . A 18 LYS H . 19810 1 118 . 1 1 18 18 LYS HA H 1 4.266 0.001 . 1 . . . A 18 LYS HA . 19810 1 119 . 1 1 18 18 LYS HB2 H 1 1.931 0.005 . 2 . . . A 18 LYS HB2 . 19810 1 120 . 1 1 18 18 LYS HB3 H 1 1.884 0.001 . 2 . . . A 18 LYS HB3 . 19810 1 121 . 1 1 18 18 LYS HG2 H 1 1.537 0.004 . 2 . . . A 18 LYS HG2 . 19810 1 122 . 1 1 18 18 LYS HG3 H 1 1.390 0.001 . 2 . . . A 18 LYS HG3 . 19810 1 123 . 1 1 18 18 LYS HD2 H 1 1.655 0.004 . 1 . . . A 18 LYS HD2 . 19810 1 124 . 1 1 18 18 LYS HD3 H 1 1.655 0.004 . 1 . . . A 18 LYS HD3 . 19810 1 125 . 1 1 18 18 LYS HE2 H 1 2.946 0.001 . 1 . . . A 18 LYS HE2 . 19810 1 126 . 1 1 18 18 LYS HE3 H 1 2.946 0.001 . 1 . . . A 18 LYS HE3 . 19810 1 127 . 1 1 19 19 LYS H H 1 8.499 0.001 . 1 . . . A 19 LYS H . 19810 1 128 . 1 1 19 19 LYS HA H 1 4.021 0.002 . 1 . . . A 19 LYS HA . 19810 1 129 . 1 1 19 19 LYS HB2 H 1 1.897 0.004 . 2 . . . A 19 LYS HB2 . 19810 1 130 . 1 1 19 19 LYS HB3 H 1 1.828 0.003 . 2 . . . A 19 LYS HB3 . 19810 1 131 . 1 1 19 19 LYS HG2 H 1 1.526 0.003 . 2 . . . A 19 LYS HG2 . 19810 1 132 . 1 1 19 19 LYS HG3 H 1 1.444 0.003 . 2 . . . A 19 LYS HG3 . 19810 1 133 . 1 1 19 19 LYS HD2 H 1 1.639 0.001 . 1 . . . A 19 LYS HD2 . 19810 1 134 . 1 1 19 19 LYS HD3 H 1 1.639 0.001 . 1 . . . A 19 LYS HD3 . 19810 1 135 . 1 1 19 19 LYS HE2 H 1 2.937 0.001 . 1 . . . A 19 LYS HE2 . 19810 1 136 . 1 1 19 19 LYS HE3 H 1 2.937 0.001 . 1 . . . A 19 LYS HE3 . 19810 1 137 . 1 1 20 20 ALA H H 1 7.339 0.003 . 1 . . . A 20 ALA H . 19810 1 138 . 1 1 20 20 ALA HA H 1 4.403 0.004 . 1 . . . A 20 ALA HA . 19810 1 139 . 1 1 20 20 ALA HB1 H 1 1.477 0.001 . 1 . . . A 20 ALA HB1 . 19810 1 140 . 1 1 20 20 ALA HB2 H 1 1.477 0.001 . 1 . . . A 20 ALA HB2 . 19810 1 141 . 1 1 20 20 ALA HB3 H 1 1.477 0.001 . 1 . . . A 20 ALA HB3 . 19810 1 142 . 1 1 21 21 GLY H H 1 7.925 0.001 . 1 . . . A 21 GLY H . 19810 1 143 . 1 1 21 21 GLY HA2 H 1 4.125 0.005 . 2 . . . A 21 GLY HA2 . 19810 1 144 . 1 1 21 21 GLY HA3 H 1 3.813 0.011 . 2 . . . A 21 GLY HA3 . 19810 1 145 . 1 1 22 22 MET H H 1 8.058 0.007 . 1 . . . A 22 MET H . 19810 1 146 . 1 1 22 22 MET HA H 1 4.525 0.002 . 1 . . . A 22 MET HA . 19810 1 147 . 1 1 22 22 MET HB2 H 1 2.066 0.001 . 2 . . . A 22 MET HB2 . 19810 1 148 . 1 1 22 22 MET HB3 H 1 1.678 0.004 . 2 . . . A 22 MET HB3 . 19810 1 149 . 1 1 22 22 MET HG2 H 1 2.436 0.002 . 2 . . . A 22 MET HG2 . 19810 1 150 . 1 1 22 22 MET HG3 H 1 2.240 0.003 . 2 . . . A 22 MET HG3 . 19810 1 151 . 1 1 23 23 ARG H H 1 8.488 0.003 . 1 . . . A 23 ARG H . 19810 1 152 . 1 1 23 23 ARG HA H 1 4.432 0.001 . 1 . . . A 23 ARG HA . 19810 1 153 . 1 1 23 23 ARG HB2 H 1 1.281 0.002 . 2 . . . A 23 ARG HB2 . 19810 1 154 . 1 1 23 23 ARG HB3 H 1 1.214 0.002 . 2 . . . A 23 ARG HB3 . 19810 1 155 . 1 1 23 23 ARG HG2 H 1 1.139 0.006 . 2 . . . A 23 ARG HG2 . 19810 1 156 . 1 1 23 23 ARG HG3 H 1 0.973 0.002 . 2 . . . A 23 ARG HG3 . 19810 1 157 . 1 1 23 23 ARG HD2 H 1 2.788 0.001 . 2 . . . A 23 ARG HD2 . 19810 1 158 . 1 1 23 23 ARG HD3 H 1 2.738 0.001 . 2 . . . A 23 ARG HD3 . 19810 1 159 . 1 1 23 23 ARG HH21 H 1 6.810 0.001 . 1 . . . A 23 ARG HH21 . 19810 1 160 . 1 1 23 23 ARG HH22 H 1 6.810 0.001 . 1 . . . A 23 ARG HH22 . 19810 1 161 . 1 1 24 24 PHE H H 1 8.165 0.002 . 1 . . . A 24 PHE H . 19810 1 162 . 1 1 24 24 PHE HA H 1 4.326 0.003 . 1 . . . A 24 PHE HA . 19810 1 163 . 1 1 24 24 PHE HB2 H 1 3.270 0.001 . 2 . . . A 24 PHE HB2 . 19810 1 164 . 1 1 24 24 PHE HB3 H 1 3.154 0.001 . 2 . . . A 24 PHE HB3 . 19810 1 165 . 1 1 24 24 PHE HE1 H 1 7.156 0.006 . 3 . . . A 24 PHE HE1 . 19810 1 166 . 1 1 24 24 PHE HE2 H 1 7.314 0.003 . 3 . . . A 24 PHE HE2 . 19810 1 167 . 1 1 25 25 GLY H H 1 8.050 0.001 . 1 . . . A 25 GLY H . 19810 1 168 . 1 1 25 25 GLY HA2 H 1 3.901 0.003 . 1 . . . A 25 GLY HA2 . 19810 1 169 . 1 1 26 26 LYS H H 1 8.989 0.002 . 1 . . . A 26 LYS H . 19810 1 170 . 1 1 26 26 LYS HA H 1 4.590 0.001 . 1 . . . A 26 LYS HA . 19810 1 171 . 1 1 26 26 LYS HB2 H 1 1.722 0.001 . 1 . . . A 26 LYS HB2 . 19810 1 172 . 1 1 26 26 LYS HB3 H 1 1.722 0.001 . 1 . . . A 26 LYS HB3 . 19810 1 173 . 1 1 26 26 LYS HG2 H 1 1.376 0.004 . 2 . . . A 26 LYS HG2 . 19810 1 174 . 1 1 26 26 LYS HG3 H 1 1.344 0.005 . 2 . . . A 26 LYS HG3 . 19810 1 175 . 1 1 26 26 LYS HD2 H 1 1.664 0.001 . 1 . . . A 26 LYS HD2 . 19810 1 176 . 1 1 26 26 LYS HD3 H 1 1.664 0.001 . 1 . . . A 26 LYS HD3 . 19810 1 177 . 1 1 26 26 LYS HE2 H 1 2.918 0.002 . 1 . . . A 26 LYS HE2 . 19810 1 178 . 1 1 26 26 LYS HE3 H 1 2.918 0.002 . 1 . . . A 26 LYS HE3 . 19810 1 179 . 1 1 27 27 CYS H H 1 8.765 0.005 . 1 . . . A 27 CYS H . 19810 1 180 . 1 1 27 27 CYS HA H 1 4.760 0.002 . 1 . . . A 27 CYS HA . 19810 1 181 . 1 1 27 27 CYS HB2 H 1 2.856 0.006 . 2 . . . A 27 CYS HB2 . 19810 1 182 . 1 1 27 27 CYS HB3 H 1 2.243 0.001 . 2 . . . A 27 CYS HB3 . 19810 1 183 . 1 1 28 28 ILE H H 1 8.835 0.007 . 1 . . . A 28 ILE H . 19810 1 184 . 1 1 28 28 ILE HA H 1 4.305 0.003 . 1 . . . A 28 ILE HA . 19810 1 185 . 1 1 28 28 ILE HB H 1 1.742 0.003 . 1 . . . A 28 ILE HB . 19810 1 186 . 1 1 28 28 ILE HG12 H 1 1.387 0.002 . 2 . . . A 28 ILE HG12 . 19810 1 187 . 1 1 28 28 ILE HG13 H 1 0.972 0.003 . 2 . . . A 28 ILE HG13 . 19810 1 188 . 1 1 28 28 ILE HG21 H 1 0.824 0.002 . 1 . . . A 28 ILE HG21 . 19810 1 189 . 1 1 28 28 ILE HG22 H 1 0.824 0.002 . 1 . . . A 28 ILE HG22 . 19810 1 190 . 1 1 28 28 ILE HG23 H 1 0.824 0.002 . 1 . . . A 28 ILE HG23 . 19810 1 191 . 1 1 28 28 ILE HD11 H 1 0.757 0.002 . 1 . . . A 28 ILE HD11 . 19810 1 192 . 1 1 28 28 ILE HD12 H 1 0.757 0.002 . 1 . . . A 28 ILE HD12 . 19810 1 193 . 1 1 28 28 ILE HD13 H 1 0.757 0.002 . 1 . . . A 28 ILE HD13 . 19810 1 194 . 1 1 29 29 ASN H H 1 9.418 0.002 . 1 . . . A 29 ASN H . 19810 1 195 . 1 1 29 29 ASN HA H 1 4.313 0.001 . 1 . . . A 29 ASN HA . 19810 1 196 . 1 1 29 29 ASN HB2 H 1 3.036 0.001 . 2 . . . A 29 ASN HB2 . 19810 1 197 . 1 1 29 29 ASN HB3 H 1 2.737 0.003 . 2 . . . A 29 ASN HB3 . 19810 1 198 . 1 1 29 29 ASN HD21 H 1 7.641 0.003 . 2 . . . A 29 ASN HD21 . 19810 1 199 . 1 1 29 29 ASN HD22 H 1 6.897 0.002 . 2 . . . A 29 ASN HD22 . 19810 1 200 . 1 1 30 30 GLY H H 1 8.207 0.001 . 1 . . . A 30 GLY H . 19810 1 201 . 1 1 30 30 GLY HA2 H 1 4.030 0.001 . 1 . . . A 30 GLY HA2 . 19810 1 202 . 1 1 31 31 LYS H H 1 7.713 0.006 . 1 . . . A 31 LYS H . 19810 1 203 . 1 1 31 31 LYS HA H 1 5.285 0.001 . 1 . . . A 31 LYS HA . 19810 1 204 . 1 1 31 31 LYS HB2 H 1 1.933 0.004 . 2 . . . A 31 LYS HB2 . 19810 1 205 . 1 1 31 31 LYS HB3 H 1 1.730 0.004 . 2 . . . A 31 LYS HB3 . 19810 1 206 . 1 1 31 31 LYS HG2 H 1 1.524 0.002 . 2 . . . A 31 LYS HG2 . 19810 1 207 . 1 1 31 31 LYS HG3 H 1 1.367 0.001 . 2 . . . A 31 LYS HG3 . 19810 1 208 . 1 1 31 31 LYS HD2 H 1 1.661 0.002 . 1 . . . A 31 LYS HD2 . 19810 1 209 . 1 1 31 31 LYS HD3 H 1 1.661 0.002 . 1 . . . A 31 LYS HD3 . 19810 1 210 . 1 1 31 31 LYS HE2 H 1 2.994 0.001 . 2 . . . A 31 LYS HE2 . 19810 1 211 . 1 1 31 31 LYS HE3 H 1 2.940 0.001 . 2 . . . A 31 LYS HE3 . 19810 1 212 . 1 1 32 32 CYS H H 1 8.299 0.003 . 1 . . . A 32 CYS H . 19810 1 213 . 1 1 32 32 CYS HA H 1 4.921 0.001 . 1 . . . A 32 CYS HA . 19810 1 214 . 1 1 32 32 CYS HB2 H 1 2.612 0.002 . 2 . . . A 32 CYS HB2 . 19810 1 215 . 1 1 32 32 CYS HB3 H 1 2.437 0.003 . 2 . . . A 32 CYS HB3 . 19810 1 216 . 1 1 33 33 ASP H H 1 9.461 0.006 . 1 . . . A 33 ASP H . 19810 1 217 . 1 1 33 33 ASP HA H 1 5.101 0.001 . 1 . . . A 33 ASP HA . 19810 1 218 . 1 1 33 33 ASP HB2 H 1 2.640 0.001 . 2 . . . A 33 ASP HB2 . 19810 1 219 . 1 1 33 33 ASP HB3 H 1 2.359 0.001 . 2 . . . A 33 ASP HB3 . 19810 1 220 . 1 1 34 34 CYS H H 1 9.020 0.008 . 1 . . . A 34 CYS H . 19810 1 221 . 1 1 34 34 CYS HA H 1 5.199 0.001 . 1 . . . A 34 CYS HA . 19810 1 222 . 1 1 34 34 CYS HB2 H 1 2.972 0.001 . 2 . . . A 34 CYS HB2 . 19810 1 223 . 1 1 34 34 CYS HB3 H 1 2.701 0.002 . 2 . . . A 34 CYS HB3 . 19810 1 224 . 1 1 35 35 THR H H 1 8.687 0.005 . 1 . . . A 35 THR H . 19810 1 225 . 1 1 35 35 THR HA H 1 4.893 0.003 . 1 . . . A 35 THR HA . 19810 1 226 . 1 1 35 35 THR HB H 1 3.846 0.001 . 1 . . . A 35 THR HB . 19810 1 227 . 1 1 35 35 THR HG21 H 1 1.392 0.001 . 1 . . . A 35 THR HG21 . 19810 1 228 . 1 1 35 35 THR HG22 H 1 1.392 0.001 . 1 . . . A 35 THR HG22 . 19810 1 229 . 1 1 35 35 THR HG23 H 1 1.392 0.001 . 1 . . . A 35 THR HG23 . 19810 1 230 . 1 1 36 36 PRO HA H 1 4.320 0.003 . 1 . . . A 36 PRO HA . 19810 1 231 . 1 1 36 36 PRO HB2 H 1 2.306 0.004 . 2 . . . A 36 PRO HB2 . 19810 1 232 . 1 1 36 36 PRO HB3 H 1 2.073 0.003 . 2 . . . A 36 PRO HB3 . 19810 1 233 . 1 1 36 36 PRO HG2 H 1 1.986 0.001 . 2 . . . A 36 PRO HG2 . 19810 1 234 . 1 1 36 36 PRO HG3 H 1 1.942 0.005 . 2 . . . A 36 PRO HG3 . 19810 1 235 . 1 1 36 36 PRO HD2 H 1 3.966 0.004 . 2 . . . A 36 PRO HD2 . 19810 1 236 . 1 1 36 36 PRO HD3 H 1 3.834 0.005 . 2 . . . A 36 PRO HD3 . 19810 1 237 . 1 1 37 37 LYS H H 1 8.287 0.002 . 1 . . . A 37 LYS H . 19810 1 238 . 1 1 37 37 LYS HA H 1 3.812 0.001 . 1 . . . A 37 LYS HA . 19810 1 239 . 1 1 37 37 LYS HB2 H 1 1.710 0.001 . 2 . . . A 37 LYS HB2 . 19810 1 240 . 1 1 37 37 LYS HB3 H 1 1.678 0.004 . 2 . . . A 37 LYS HB3 . 19810 1 241 . 1 1 37 37 LYS HG2 H 1 1.309 0.001 . 2 . . . A 37 LYS HG2 . 19810 1 242 . 1 1 37 37 LYS HG3 H 1 1.270 0.003 . 2 . . . A 37 LYS HG3 . 19810 1 243 . 1 1 37 37 LYS HD2 H 1 1.574 0.005 . 1 . . . A 37 LYS HD2 . 19810 1 244 . 1 1 37 37 LYS HD3 H 1 1.574 0.005 . 1 . . . A 37 LYS HD3 . 19810 1 245 . 1 1 37 37 LYS HE2 H 1 2.859 0.003 . 1 . . . A 37 LYS HE2 . 19810 1 246 . 1 1 37 37 LYS HE3 H 1 2.859 0.003 . 1 . . . A 37 LYS HE3 . 19810 1 stop_ save_