################################### # 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 30497 _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 $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 NOESY' . . . 30497 1 2 '2D TOCSY' . . . 30497 1 3 '2D COSY' . . . 30497 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.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 ASN HA H 1 4.367 0.000 . 1 . . . . A 1 ASN HA . 30497 1 2 . 1 1 1 1 ASN HB2 H 1 3.094 0.000 . 2 . . . . A 1 ASN HB2 . 30497 1 3 . 1 1 1 1 ASN HB3 H 1 3.030 0.002 . 2 . . . . A 1 ASN HB3 . 30497 1 4 . 1 1 1 1 ASN HD21 H 1 7.072 0.000 . 2 . . . . A 1 ASN HD21 . 30497 1 5 . 1 1 1 1 ASN HD22 H 1 7.776 0.000 . 2 . . . . A 1 ASN HD22 . 30497 1 6 . 1 1 2 2 ASP H H 1 8.895 0.001 . 1 . . . . A 2 ASP H . 30497 1 7 . 1 1 2 2 ASP HA H 1 4.751 0.000 . 1 . . . . A 2 ASP HA . 30497 1 8 . 1 1 2 2 ASP HB2 H 1 2.926 0.000 . 2 . . . . A 2 ASP HB2 . 30497 1 9 . 1 1 2 2 ASP HB3 H 1 2.842 0.000 . 2 . . . . A 2 ASP HB3 . 30497 1 10 . 1 1 3 3 LYS H H 1 8.470 0.001 . 1 . . . . A 3 LYS H . 30497 1 11 . 1 1 3 3 LYS HA H 1 4.071 0.001 . 1 . . . . A 3 LYS HA . 30497 1 12 . 1 1 3 3 LYS HB2 H 1 1.788 0.001 . 1 . . . . A 3 LYS HB2 . 30497 1 13 . 1 1 3 3 LYS HB3 H 1 1.788 0.001 . 1 . . . . A 3 LYS HB3 . 30497 1 14 . 1 1 3 3 LYS HG2 H 1 1.342 0.000 . 2 . . . . A 3 LYS HG2 . 30497 1 15 . 1 1 3 3 LYS HG3 H 1 1.212 0.001 . 2 . . . . A 3 LYS HG3 . 30497 1 16 . 1 1 3 3 LYS HD2 H 1 1.600 0.000 . 1 . . . . A 3 LYS HD2 . 30497 1 17 . 1 1 3 3 LYS HD3 H 1 1.600 0.000 . 1 . . . . A 3 LYS HD3 . 30497 1 18 . 1 1 3 3 LYS HE2 H 1 2.845 0.001 . 1 . . . . A 3 LYS HE2 . 30497 1 19 . 1 1 3 3 LYS HE3 H 1 2.845 0.001 . 1 . . . . A 3 LYS HE3 . 30497 1 20 . 1 1 3 3 LYS HZ1 H 1 7.587 0.000 . 1 . . . . A 3 LYS HZ1 . 30497 1 21 . 1 1 3 3 LYS HZ2 H 1 7.587 0.000 . 1 . . . . A 3 LYS HZ2 . 30497 1 22 . 1 1 3 3 LYS HZ3 H 1 7.587 0.000 . 1 . . . . A 3 LYS HZ3 . 30497 1 23 . 1 1 4 4 CYS H H 1 8.384 0.000 . 1 . . . . A 4 CYS H . 30497 1 24 . 1 1 4 4 CYS HA H 1 4.201 0.001 . 1 . . . . A 4 CYS HA . 30497 1 25 . 1 1 4 4 CYS HB2 H 1 3.248 0.000 . 1 . . . . A 4 CYS HB2 . 30497 1 26 . 1 1 4 4 CYS HB3 H 1 3.248 0.000 . 1 . . . . A 4 CYS HB3 . 30497 1 27 . 1 1 5 5 LYS H H 1 7.869 0.001 . 1 . . . . A 5 LYS H . 30497 1 28 . 1 1 5 5 LYS HA H 1 3.934 0.002 . 1 . . . . A 5 LYS HA . 30497 1 29 . 1 1 5 5 LYS HB2 H 1 1.867 0.001 . 1 . . . . A 5 LYS HB2 . 30497 1 30 . 1 1 5 5 LYS HB3 H 1 1.867 0.001 . 1 . . . . A 5 LYS HB3 . 30497 1 31 . 1 1 5 5 LYS HG2 H 1 1.551 0.001 . 2 . . . . A 5 LYS HG2 . 30497 1 32 . 1 1 5 5 LYS HG3 H 1 1.390 0.001 . 2 . . . . A 5 LYS HG3 . 30497 1 33 . 1 1 5 5 LYS HD2 H 1 1.710 0.000 . 1 . . . . A 5 LYS HD2 . 30497 1 34 . 1 1 5 5 LYS HD3 H 1 1.710 0.000 . 1 . . . . A 5 LYS HD3 . 30497 1 35 . 1 1 5 5 LYS HE2 H 1 3.001 0.000 . 1 . . . . A 5 LYS HE2 . 30497 1 36 . 1 1 5 5 LYS HE3 H 1 3.001 0.000 . 1 . . . . A 5 LYS HE3 . 30497 1 37 . 1 1 5 5 LYS HZ1 H 1 7.567 0.000 . 1 . . . . A 5 LYS HZ1 . 30497 1 38 . 1 1 5 5 LYS HZ2 H 1 7.567 0.000 . 1 . . . . A 5 LYS HZ2 . 30497 1 39 . 1 1 5 5 LYS HZ3 H 1 7.567 0.000 . 1 . . . . A 5 LYS HZ3 . 30497 1 40 . 1 1 6 6 GLU H H 1 8.054 0.000 . 1 . . . . A 6 GLU H . 30497 1 41 . 1 1 6 6 GLU HA H 1 4.101 0.001 . 1 . . . . A 6 GLU HA . 30497 1 42 . 1 1 6 6 GLU HB2 H 1 2.149 0.000 . 1 . . . . A 6 GLU HB2 . 30497 1 43 . 1 1 6 6 GLU HB3 H 1 2.149 0.000 . 1 . . . . A 6 GLU HB3 . 30497 1 44 . 1 1 6 6 GLU HG2 H 1 2.541 0.000 . 2 . . . . A 6 GLU HG2 . 30497 1 45 . 1 1 6 6 GLU HG3 H 1 2.456 0.000 . 2 . . . . A 6 GLU HG3 . 30497 1 46 . 1 1 7 7 LEU H H 1 8.262 0.000 . 1 . . . . A 7 LEU H . 30497 1 47 . 1 1 7 7 LEU HA H 1 4.085 0.001 . 1 . . . . A 7 LEU HA . 30497 1 48 . 1 1 7 7 LEU HB2 H 1 1.918 0.001 . 2 . . . . A 7 LEU HB2 . 30497 1 49 . 1 1 7 7 LEU HB3 H 1 1.324 0.001 . 2 . . . . A 7 LEU HB3 . 30497 1 50 . 1 1 7 7 LEU HG H 1 1.648 0.000 . 1 . . . . A 7 LEU HG . 30497 1 51 . 1 1 7 7 LEU HD11 H 1 0.483 0.001 . 2 . . . . A 7 LEU HD11 . 30497 1 52 . 1 1 7 7 LEU HD12 H 1 0.483 0.001 . 2 . . . . A 7 LEU HD12 . 30497 1 53 . 1 1 7 7 LEU HD13 H 1 0.483 0.001 . 2 . . . . A 7 LEU HD13 . 30497 1 54 . 1 1 7 7 LEU HD21 H 1 0.689 0.001 . 2 . . . . A 7 LEU HD21 . 30497 1 55 . 1 1 7 7 LEU HD22 H 1 0.689 0.001 . 2 . . . . A 7 LEU HD22 . 30497 1 56 . 1 1 7 7 LEU HD23 H 1 0.689 0.001 . 2 . . . . A 7 LEU HD23 . 30497 1 57 . 1 1 8 8 LYS H H 1 8.271 0.000 . 1 . . . . A 8 LYS H . 30497 1 58 . 1 1 8 8 LYS HA H 1 4.007 0.001 . 1 . . . . A 8 LYS HA . 30497 1 59 . 1 1 8 8 LYS HB2 H 1 1.879 0.000 . 1 . . . . A 8 LYS HB2 . 30497 1 60 . 1 1 8 8 LYS HB3 H 1 1.879 0.000 . 1 . . . . A 8 LYS HB3 . 30497 1 61 . 1 1 8 8 LYS HG2 H 1 1.474 0.001 . 1 . . . . A 8 LYS HG2 . 30497 1 62 . 1 1 8 8 LYS HG3 H 1 1.474 0.001 . 1 . . . . A 8 LYS HG3 . 30497 1 63 . 1 1 8 8 LYS HD2 H 1 1.686 0.000 . 1 . . . . A 8 LYS HD2 . 30497 1 64 . 1 1 8 8 LYS HD3 H 1 1.686 0.000 . 1 . . . . A 8 LYS HD3 . 30497 1 65 . 1 1 8 8 LYS HE2 H 1 3.047 0.002 . 1 . . . . A 8 LYS HE2 . 30497 1 66 . 1 1 8 8 LYS HE3 H 1 3.047 0.002 . 1 . . . . A 8 LYS HE3 . 30497 1 67 . 1 1 8 8 LYS HZ1 H 1 7.616 0.000 . 1 . . . . A 8 LYS HZ1 . 30497 1 68 . 1 1 8 8 LYS HZ2 H 1 7.616 0.000 . 1 . . . . A 8 LYS HZ2 . 30497 1 69 . 1 1 8 8 LYS HZ3 H 1 7.616 0.000 . 1 . . . . A 8 LYS HZ3 . 30497 1 70 . 1 1 9 9 LYS H H 1 7.651 0.000 . 1 . . . . A 9 LYS H . 30497 1 71 . 1 1 9 9 LYS HA H 1 4.151 0.001 . 1 . . . . A 9 LYS HA . 30497 1 72 . 1 1 9 9 LYS HB2 H 1 1.905 0.000 . 2 . . . . A 9 LYS HB2 . 30497 1 73 . 1 1 9 9 LYS HB3 H 1 1.878 0.000 . 2 . . . . A 9 LYS HB3 . 30497 1 74 . 1 1 9 9 LYS HG2 H 1 1.503 0.000 . 2 . . . . A 9 LYS HG2 . 30497 1 75 . 1 1 9 9 LYS HG3 H 1 1.407 0.000 . 2 . . . . A 9 LYS HG3 . 30497 1 76 . 1 1 9 9 LYS HD2 H 1 1.693 0.000 . 1 . . . . A 9 LYS HD2 . 30497 1 77 . 1 1 9 9 LYS HD3 H 1 1.693 0.000 . 1 . . . . A 9 LYS HD3 . 30497 1 78 . 1 1 9 9 LYS HE2 H 1 2.982 0.001 . 1 . . . . A 9 LYS HE2 . 30497 1 79 . 1 1 9 9 LYS HE3 H 1 2.982 0.001 . 1 . . . . A 9 LYS HE3 . 30497 1 80 . 1 1 9 9 LYS HZ1 H 1 7.567 0.000 . 1 . . . . A 9 LYS HZ1 . 30497 1 81 . 1 1 9 9 LYS HZ2 H 1 7.567 0.000 . 1 . . . . A 9 LYS HZ2 . 30497 1 82 . 1 1 9 9 LYS HZ3 H 1 7.567 0.000 . 1 . . . . A 9 LYS HZ3 . 30497 1 83 . 1 1 10 10 ARG H H 1 8.078 0.000 . 1 . . . . A 10 ARG H . 30497 1 84 . 1 1 10 10 ARG HA H 1 4.005 0.001 . 1 . . . . A 10 ARG HA . 30497 1 85 . 1 1 10 10 ARG HB2 H 1 1.797 0.002 . 2 . . . . A 10 ARG HB2 . 30497 1 86 . 1 1 10 10 ARG HB3 H 1 1.631 0.000 . 2 . . . . A 10 ARG HB3 . 30497 1 87 . 1 1 10 10 ARG HG2 H 1 1.295 0.000 . 2 . . . . A 10 ARG HG2 . 30497 1 88 . 1 1 10 10 ARG HG3 H 1 1.023 0.000 . 2 . . . . A 10 ARG HG3 . 30497 1 89 . 1 1 10 10 ARG HD2 H 1 2.941 0.000 . 2 . . . . A 10 ARG HD2 . 30497 1 90 . 1 1 10 10 ARG HD3 H 1 2.856 0.000 . 2 . . . . A 10 ARG HD3 . 30497 1 91 . 1 1 10 10 ARG HE H 1 7.011 0.001 . 1 . . . . A 10 ARG HE . 30497 1 92 . 1 1 11 11 TYR H H 1 8.052 0.000 . 1 . . . . A 11 TYR H . 30497 1 93 . 1 1 11 11 TYR HA H 1 4.470 0.000 . 1 . . . . A 11 TYR HA . 30497 1 94 . 1 1 11 11 TYR HB2 H 1 3.162 0.000 . 2 . . . . A 11 TYR HB2 . 30497 1 95 . 1 1 11 11 TYR HB3 H 1 2.618 0.000 . 2 . . . . A 11 TYR HB3 . 30497 1 96 . 1 1 11 11 TYR HD1 H 1 7.256 0.000 . 1 . . . . A 11 TYR HD1 . 30497 1 97 . 1 1 11 11 TYR HD2 H 1 7.256 0.000 . 1 . . . . A 11 TYR HD2 . 30497 1 98 . 1 1 11 11 TYR HE1 H 1 6.783 0.000 . 1 . . . . A 11 TYR HE1 . 30497 1 99 . 1 1 11 11 TYR HE2 H 1 6.783 0.000 . 1 . . . . A 11 TYR HE2 . 30497 1 100 . 1 1 12 12 ORN HA H 1 4.454 0.000 . 1 . . . . A 12 ORN HA . 30497 1 101 . 1 1 12 12 ORN HB2 H 1 1.858 0.000 . 2 . . . . A 12 ORN HB3 . 30497 1 102 . 1 1 12 12 ORN HB3 H 1 1.938 0.000 . 2 . . . . A 12 ORN HB3 . 30497 1 103 . 1 1 12 12 ORN HD2 H 1 3.266 0.001 . 2 . . . . A 12 ORN HD3 . 30497 1 104 . 1 1 12 12 ORN HD3 H 1 3.491 0.001 . 2 . . . . A 12 ORN HD3 . 30497 1 105 . 1 1 12 12 ORN HE1 H 1 7.702 0.000 . 1 . . . . A 12 ORN HE1 . 30497 1 106 . 1 1 12 12 ORN HG2 H 1 1.865 0.000 . 2 . . . . A 12 ORN HG3 . 30497 1 107 . 1 1 12 12 ORN HG3 H 1 1.933 0.001 . 2 . . . . A 12 ORN HG3 . 30497 1 108 . 1 1 13 13 CYS H H 1 8.510 0.001 . 1 . . . . A 13 CYS H . 30497 1 109 . 1 1 13 13 CYS HA H 1 4.919 0.000 . 1 . . . . A 13 CYS HA . 30497 1 110 . 1 1 13 13 CYS HB2 H 1 3.184 0.000 . 2 . . . . A 13 CYS HB2 . 30497 1 111 . 1 1 13 13 CYS HB3 H 1 2.675 0.000 . 2 . . . . A 13 CYS HB3 . 30497 1 112 . 1 1 14 14 GLU H H 1 8.287 0.001 . 1 . . . . A 14 GLU H . 30497 1 113 . 1 1 14 14 GLU HA H 1 4.379 0.001 . 1 . . . . A 14 GLU HA . 30497 1 114 . 1 1 14 14 GLU HB2 H 1 2.202 0.001 . 1 . . . . A 14 GLU HB2 . 30497 1 115 . 1 1 14 14 GLU HB3 H 1 2.202 0.001 . 1 . . . . A 14 GLU HB3 . 30497 1 116 . 1 1 14 14 GLU HG2 H 1 2.565 0.002 . 2 . . . . A 14 GLU HG2 . 30497 1 117 . 1 1 14 14 GLU HG3 H 1 2.436 0.001 . 2 . . . . A 14 GLU HG3 . 30497 1 118 . 1 1 15 15 VAL H H 1 8.456 0.000 . 1 . . . . A 15 VAL H . 30497 1 119 . 1 1 15 15 VAL HA H 1 4.763 0.000 . 1 . . . . A 15 VAL HA . 30497 1 120 . 1 1 15 15 VAL HB H 1 1.891 0.000 . 1 . . . . A 15 VAL HB . 30497 1 121 . 1 1 15 15 VAL HG11 H 1 0.818 0.000 . 2 . . . . A 15 VAL HG11 . 30497 1 122 . 1 1 15 15 VAL HG12 H 1 0.818 0.000 . 2 . . . . A 15 VAL HG12 . 30497 1 123 . 1 1 15 15 VAL HG13 H 1 0.818 0.000 . 2 . . . . A 15 VAL HG13 . 30497 1 124 . 1 1 15 15 VAL HG21 H 1 0.847 0.001 . 2 . . . . A 15 VAL HG21 . 30497 1 125 . 1 1 15 15 VAL HG22 H 1 0.847 0.001 . 2 . . . . A 15 VAL HG22 . 30497 1 126 . 1 1 15 15 VAL HG23 H 1 0.847 0.001 . 2 . . . . A 15 VAL HG23 . 30497 1 127 . 1 1 16 16 ARG H H 1 8.923 0.001 . 1 . . . . A 16 ARG H . 30497 1 128 . 1 1 16 16 ARG HA H 1 4.682 0.000 . 1 . . . . A 16 ARG HA . 30497 1 129 . 1 1 16 16 ARG HB2 H 1 1.833 0.001 . 2 . . . . A 16 ARG HB2 . 30497 1 130 . 1 1 16 16 ARG HB3 H 1 1.720 0.001 . 2 . . . . A 16 ARG HB3 . 30497 1 131 . 1 1 16 16 ARG HG2 H 1 1.606 0.001 . 2 . . . . A 16 ARG HG2 . 30497 1 132 . 1 1 16 16 ARG HG3 H 1 1.524 0.002 . 2 . . . . A 16 ARG HG3 . 30497 1 133 . 1 1 16 16 ARG HD2 H 1 3.154 0.000 . 1 . . . . A 16 ARG HD2 . 30497 1 134 . 1 1 16 16 ARG HD3 H 1 3.154 0.000 . 1 . . . . A 16 ARG HD3 . 30497 1 135 . 1 1 16 16 ARG HE H 1 7.150 0.000 . 1 . . . . A 16 ARG HE . 30497 1 136 . 1 1 17 17 CYS H H 1 8.940 0.000 . 1 . . . . A 17 CYS H . 30497 1 137 . 1 1 17 17 CYS HA H 1 4.796 0.000 . 1 . . . . A 17 CYS HA . 30497 1 138 . 1 1 17 17 CYS HB2 H 1 3.680 0.001 . 2 . . . . A 17 CYS HB2 . 30497 1 139 . 1 1 17 17 CYS HB3 H 1 3.097 0.000 . 2 . . . . A 17 CYS HB3 . 30497 1 140 . 1 1 18 18 ASP H H 1 8.657 0.001 . 1 . . . . A 18 ASP H . 30497 1 141 . 1 1 18 18 ASP HA H 1 5.175 0.000 . 1 . . . . A 18 ASP HA . 30497 1 142 . 1 1 18 18 ASP HB2 H 1 2.763 0.000 . 2 . . . . A 18 ASP HB2 . 30497 1 143 . 1 1 18 18 ASP HB3 H 1 2.550 0.000 . 2 . . . . A 18 ASP HB3 . 30497 1 144 . 1 1 19 19 DPR HA H 1 4.731 0.001 . 1 . . . . A 19 DPR HA . 30497 1 145 . 1 1 19 19 DPR HB2 H 1 1.946 0.001 . 2 . . . . A 19 DPR HB2 . 30497 1 146 . 1 1 19 19 DPR HB3 H 1 2.339 0.001 . 2 . . . . A 19 DPR HB3 . 30497 1 147 . 1 1 19 19 DPR HD2 H 1 3.492 0.001 . 2 . . . . A 19 DPR HD2 . 30497 1 148 . 1 1 19 19 DPR HD3 H 1 3.899 0.001 . 2 . . . . A 19 DPR HD3 . 30497 1 149 . 1 1 19 19 DPR HG2 H 1 2.043 0.000 . 2 . . . . A 19 DPR HG2 . 30497 1 150 . 1 1 19 19 DPR HG3 H 1 2.186 0.002 . 2 . . . . A 19 DPR HG3 . 30497 1 151 . 1 1 20 20 PRO HA H 1 4.585 0.000 . 1 . . . . A 20 PRO HA . 30497 1 152 . 1 1 20 20 PRO HB2 H 1 2.249 0.000 . 2 . . . . A 20 PRO HB2 . 30497 1 153 . 1 1 20 20 PRO HB3 H 1 2.158 0.001 . 2 . . . . A 20 PRO HB3 . 30497 1 154 . 1 1 20 20 PRO HG2 H 1 2.106 0.000 . 2 . . . . A 20 PRO HG2 . 30497 1 155 . 1 1 20 20 PRO HG3 H 1 1.906 0.000 . 2 . . . . A 20 PRO HG3 . 30497 1 156 . 1 1 20 20 PRO HD2 H 1 3.995 0.001 . 2 . . . . A 20 PRO HD2 . 30497 1 157 . 1 1 20 20 PRO HD3 H 1 3.730 0.001 . 2 . . . . A 20 PRO HD3 . 30497 1 158 . 1 1 21 21 ARG H H 1 7.625 0.001 . 1 . . . . A 21 ARG H . 30497 1 159 . 1 1 21 21 ARG HA H 1 4.499 0.001 . 1 . . . . A 21 ARG HA . 30497 1 160 . 1 1 21 21 ARG HB2 H 1 1.830 0.002 . 1 . . . . A 21 ARG HB2 . 30497 1 161 . 1 1 21 21 ARG HB3 H 1 1.830 0.002 . 1 . . . . A 21 ARG HB3 . 30497 1 162 . 1 1 21 21 ARG HG2 H 1 1.585 0.002 . 1 . . . . A 21 ARG HG2 . 30497 1 163 . 1 1 21 21 ARG HG3 H 1 1.585 0.002 . 1 . . . . A 21 ARG HG3 . 30497 1 164 . 1 1 21 21 ARG HD2 H 1 3.208 0.001 . 1 . . . . A 21 ARG HD2 . 30497 1 165 . 1 1 21 21 ARG HD3 H 1 3.208 0.001 . 1 . . . . A 21 ARG HD3 . 30497 1 166 . 1 1 21 21 ARG HE H 1 7.201 0.001 . 1 . . . . A 21 ARG HE . 30497 1 167 . 1 1 22 22 TYR H H 1 8.216 0.002 . 1 . . . . A 22 TYR H . 30497 1 168 . 1 1 22 22 TYR HA H 1 5.207 0.000 . 1 . . . . A 22 TYR HA . 30497 1 169 . 1 1 22 22 TYR HB2 H 1 2.802 0.000 . 2 . . . . A 22 TYR HB2 . 30497 1 170 . 1 1 22 22 TYR HB3 H 1 2.738 0.000 . 2 . . . . A 22 TYR HB3 . 30497 1 171 . 1 1 22 22 TYR HD1 H 1 6.911 0.000 . 1 . . . . A 22 TYR HD1 . 30497 1 172 . 1 1 22 22 TYR HD2 H 1 6.911 0.000 . 1 . . . . A 22 TYR HD2 . 30497 1 173 . 1 1 22 22 TYR HE1 H 1 6.737 0.000 . 1 . . . . A 22 TYR HE1 . 30497 1 174 . 1 1 22 22 TYR HE2 H 1 6.737 0.000 . 1 . . . . A 22 TYR HE2 . 30497 1 175 . 1 1 23 23 GLU H H 1 8.728 0.001 . 1 . . . . A 23 GLU H . 30497 1 176 . 1 1 23 23 GLU HA H 1 4.634 0.000 . 1 . . . . A 23 GLU HA . 30497 1 177 . 1 1 23 23 GLU HB2 H 1 1.950 0.000 . 2 . . . . A 23 GLU HB2 . 30497 1 178 . 1 1 23 23 GLU HB3 H 1 1.890 0.001 . 2 . . . . A 23 GLU HB3 . 30497 1 179 . 1 1 23 23 GLU HG2 H 1 2.329 0.000 . 1 . . . . A 23 GLU HG2 . 30497 1 180 . 1 1 23 23 GLU HG3 H 1 2.329 0.000 . 1 . . . . A 23 GLU HG3 . 30497 1 181 . 1 1 24 24 VAL H H 1 8.652 0.001 . 1 . . . . A 24 VAL H . 30497 1 182 . 1 1 24 24 VAL HA H 1 4.664 0.001 . 1 . . . . A 24 VAL HA . 30497 1 183 . 1 1 24 24 VAL HB H 1 1.733 0.000 . 1 . . . . A 24 VAL HB . 30497 1 184 . 1 1 24 24 VAL HG11 H 1 0.482 0.001 . 2 . . . . A 24 VAL HG11 . 30497 1 185 . 1 1 24 24 VAL HG12 H 1 0.482 0.001 . 2 . . . . A 24 VAL HG12 . 30497 1 186 . 1 1 24 24 VAL HG13 H 1 0.482 0.001 . 2 . . . . A 24 VAL HG13 . 30497 1 187 . 1 1 24 24 VAL HG21 H 1 0.583 0.002 . 2 . . . . A 24 VAL HG21 . 30497 1 188 . 1 1 24 24 VAL HG22 H 1 0.583 0.002 . 2 . . . . A 24 VAL HG22 . 30497 1 189 . 1 1 24 24 VAL HG23 H 1 0.583 0.002 . 2 . . . . A 24 VAL HG23 . 30497 1 190 . 1 1 25 25 HIS H H 1 9.175 0.000 . 1 . . . . A 25 HIS H . 30497 1 191 . 1 1 25 25 HIS HA H 1 4.993 0.003 . 1 . . . . A 25 HIS HA . 30497 1 192 . 1 1 25 25 HIS HB2 H 1 3.251 0.000 . 2 . . . . A 25 HIS HB2 . 30497 1 193 . 1 1 25 25 HIS HB3 H 1 3.091 0.000 . 2 . . . . A 25 HIS HB3 . 30497 1 194 . 1 1 25 25 HIS HD2 H 1 7.217 0.000 . 1 . . . . A 25 HIS HD2 . 30497 1 195 . 1 1 25 25 HIS HE1 H 1 8.614 0.000 . 1 . . . . A 25 HIS HE1 . 30497 1 196 . 1 1 26 26 CYS H H 1 9.177 0.000 . 1 . . . . A 26 CYS H . 30497 1 197 . 1 1 26 26 CYS HA H 1 4.867 0.000 . 1 . . . . A 26 CYS HA . 30497 1 198 . 1 1 26 26 CYS HB2 H 1 3.261 0.000 . 2 . . . . A 26 CYS HB2 . 30497 1 199 . 1 1 26 26 CYS HB3 H 1 2.887 0.000 . 2 . . . . A 26 CYS HB3 . 30497 1 200 . 1 1 27 27 NH2 HN1 H 1 7.219 0.000 . 2 . . . . A 27 NH2 HN1 . 30497 1 201 . 1 1 27 27 NH2 HN2 H 1 7.723 0.000 . 2 . . . . A 27 NH2 HN2 . 30497 1 stop_ save_