################################### # 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 36068 _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 1H-1H TOCSY' 1 $sample_1 isotropic 36068 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36068 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 PHE HA H 1 3.505 0.001 . 1 . . . . A 1 PHE HA . 36068 1 2 . 1 1 1 1 PHE HB2 H 1 2.644 0.002 . 2 . . . . A 1 PHE HB2 . 36068 1 3 . 1 1 1 1 PHE HB3 H 1 3.198 0.006 . 2 . . . . A 1 PHE HB3 . 36068 1 4 . 1 1 1 1 PHE HD1 H 1 7.224 0.005 . 3 . . . . A 1 PHE HD1 . 36068 1 5 . 1 1 1 1 PHE HD2 H 1 7.224 0.005 . 3 . . . . A 1 PHE HD2 . 36068 1 6 . 1 1 2 2 GLN H H 1 8.535 0.001 . 1 . . . . A 2 GLN H . 36068 1 7 . 1 1 2 2 GLN HA H 1 4.495 0.003 . 1 . . . . A 2 GLN HA . 36068 1 8 . 1 1 2 2 GLN HB2 H 1 2.129 0.004 . 2 . . . . A 2 GLN HB2 . 36068 1 9 . 1 1 2 2 GLN HB3 H 1 2.019 0.002 . 2 . . . . A 2 GLN HB3 . 36068 1 10 . 1 1 2 2 GLN HG2 H 1 2.452 0.002 . 2 . . . . A 2 GLN HG2 . 36068 1 11 . 1 1 2 2 GLN HG3 H 1 2.452 0.002 . 2 . . . . A 2 GLN HG3 . 36068 1 12 . 1 1 3 3 CYS H H 1 7.838 0.003 . 1 . . . . A 3 CYS H . 36068 1 13 . 1 1 3 3 CYS HA H 1 4.823 0.002 . 1 . . . . A 3 CYS HA . 36068 1 14 . 1 1 3 3 CYS HB2 H 1 2.997 0.010 . 2 . . . . A 3 CYS HB2 . 36068 1 15 . 1 1 3 3 CYS HB3 H 1 2.615 0.012 . 2 . . . . A 3 CYS HB3 . 36068 1 16 . 1 1 4 4 GLY H H 1 8.255 0.003 . 1 . . . . A 4 GLY H . 36068 1 17 . 1 1 4 4 GLY HA2 H 1 3.797 0.001 . 2 . . . . A 4 GLY HA2 . 36068 1 18 . 1 1 4 4 GLY HA3 H 1 3.659 0.005 . 2 . . . . A 4 GLY HA3 . 36068 1 19 . 1 1 5 5 ARG H H 1 9.105 0.001 . 1 . . . . A 5 ARG H . 36068 1 20 . 1 1 5 5 ARG HA H 1 3.973 0.001 . 1 . . . . A 5 ARG HA . 36068 1 21 . 1 1 5 5 ARG HB2 H 1 1.776 0.003 . 2 . . . . A 5 ARG HB2 . 36068 1 22 . 1 1 5 5 ARG HB3 H 1 1.696 0.003 . 2 . . . . A 5 ARG HB3 . 36068 1 23 . 1 1 5 5 ARG HG2 H 1 1.599 0.002 . 2 . . . . A 5 ARG HG2 . 36068 1 24 . 1 1 5 5 ARG HG3 H 1 1.429 0.004 . 2 . . . . A 5 ARG HG3 . 36068 1 25 . 1 1 5 5 ARG HD2 H 1 3.136 0.002 . 2 . . . . A 5 ARG HD2 . 36068 1 26 . 1 1 5 5 ARG HD3 H 1 3.136 0.002 . 2 . . . . A 5 ARG HD3 . 36068 1 27 . 1 1 5 5 ARG HE H 1 7.254 0.000 . 1 . . . . A 5 ARG HE . 36068 1 28 . 1 1 6 6 GLN H H 1 9.074 0.003 . 1 . . . . A 6 GLN H . 36068 1 29 . 1 1 6 6 GLN HA H 1 3.771 0.009 . 1 . . . . A 6 GLN HA . 36068 1 30 . 1 1 6 6 GLN HB2 H 1 1.414 0.004 . 2 . . . . A 6 GLN HB2 . 36068 1 31 . 1 1 6 6 GLN HB3 H 1 0.904 0.004 . 2 . . . . A 6 GLN HB3 . 36068 1 32 . 1 1 6 6 GLN HG2 H 1 1.936 0.002 . 2 . . . . A 6 GLN HG2 . 36068 1 33 . 1 1 6 6 GLN HG3 H 1 1.936 0.002 . 2 . . . . A 6 GLN HG3 . 36068 1 34 . 1 1 6 6 GLN HE21 H 1 7.627 0.000 . 2 . . . . A 6 GLN HE21 . 36068 1 35 . 1 1 6 6 GLN HE22 H 1 7.254 0.003 . 2 . . . . A 6 GLN HE22 . 36068 1 36 . 1 1 7 7 ALA H H 1 7.412 0.005 . 1 . . . . A 7 ALA H . 36068 1 37 . 1 1 7 7 ALA HA H 1 4.669 0.004 . 1 . . . . A 7 ALA HA . 36068 1 38 . 1 1 7 7 ALA HB1 H 1 0.897 0.002 . 1 . . . . A 7 ALA HB1 . 36068 1 39 . 1 1 7 7 ALA HB2 H 1 0.897 0.002 . 1 . . . . A 7 ALA HB2 . 36068 1 40 . 1 1 7 7 ALA HB3 H 1 0.897 0.002 . 1 . . . . A 7 ALA HB3 . 36068 1 41 . 1 1 8 8 GLY H H 1 7.985 0.001 . 1 . . . . A 8 GLY H . 36068 1 42 . 1 1 8 8 GLY HA2 H 1 3.836 0.001 . 2 . . . . A 8 GLY HA2 . 36068 1 43 . 1 1 8 8 GLY HA3 H 1 3.836 0.001 . 2 . . . . A 8 GLY HA3 . 36068 1 44 . 1 1 9 9 GLY H H 1 8.293 0.001 . 1 . . . . A 9 GLY H . 36068 1 45 . 1 1 9 9 GLY HA2 H 1 4.111 0.004 . 2 . . . . A 9 GLY HA2 . 36068 1 46 . 1 1 9 9 GLY HA3 H 1 3.300 0.010 . 2 . . . . A 9 GLY HA3 . 36068 1 47 . 1 1 10 10 ALA H H 1 6.930 0.001 . 1 . . . . A 10 ALA H . 36068 1 48 . 1 1 10 10 ALA HA H 1 4.155 0.002 . 1 . . . . A 10 ALA HA . 36068 1 49 . 1 1 10 10 ALA HB1 H 1 1.445 0.001 . 1 . . . . A 10 ALA HB1 . 36068 1 50 . 1 1 10 10 ALA HB2 H 1 1.445 0.001 . 1 . . . . A 10 ALA HB2 . 36068 1 51 . 1 1 10 10 ALA HB3 H 1 1.445 0.001 . 1 . . . . A 10 ALA HB3 . 36068 1 52 . 1 1 11 11 ARG H H 1 8.548 0.005 . 1 . . . . A 11 ARG H . 36068 1 53 . 1 1 11 11 ARG HA H 1 4.488 0.001 . 1 . . . . A 11 ARG HA . 36068 1 54 . 1 1 11 11 ARG HB2 H 1 1.906 0.003 . 2 . . . . A 11 ARG HB2 . 36068 1 55 . 1 1 11 11 ARG HB3 H 1 1.715 0.001 . 2 . . . . A 11 ARG HB3 . 36068 1 56 . 1 1 11 11 ARG HG2 H 1 1.444 0.000 . 2 . . . . A 11 ARG HG2 . 36068 1 57 . 1 1 11 11 ARG HG3 H 1 1.638 0.002 . 2 . . . . A 11 ARG HG3 . 36068 1 58 . 1 1 11 11 ARG HD2 H 1 3.253 0.001 . 2 . . . . A 11 ARG HD2 . 36068 1 59 . 1 1 11 11 ARG HD3 H 1 3.253 0.001 . 2 . . . . A 11 ARG HD3 . 36068 1 60 . 1 1 12 12 CYS H H 1 9.565 0.002 . 1 . . . . A 12 CYS H . 36068 1 61 . 1 1 12 12 CYS HA H 1 4.648 0.000 . 1 . . . . A 12 CYS HA . 36068 1 62 . 1 1 12 12 CYS HB2 H 1 3.049 0.009 . 2 . . . . A 12 CYS HB2 . 36068 1 63 . 1 1 12 12 CYS HB3 H 1 2.595 0.003 . 2 . . . . A 12 CYS HB3 . 36068 1 64 . 1 1 13 13 SER H H 1 8.860 0.001 . 1 . . . . A 13 SER H . 36068 1 65 . 1 1 13 13 SER HA H 1 4.386 0.000 . 1 . . . . A 13 SER HA . 36068 1 66 . 1 1 13 13 SER HB2 H 1 3.902 0.001 . 2 . . . . A 13 SER HB2 . 36068 1 67 . 1 1 13 13 SER HB3 H 1 3.819 0.003 . 2 . . . . A 13 SER HB3 . 36068 1 68 . 1 1 14 14 ASN H H 1 8.582 0.001 . 1 . . . . A 14 ASN H . 36068 1 69 . 1 1 14 14 ASN HA H 1 4.318 0.003 . 1 . . . . A 14 ASN HA . 36068 1 70 . 1 1 14 14 ASN HB2 H 1 2.839 0.002 . 2 . . . . A 14 ASN HB2 . 36068 1 71 . 1 1 14 14 ASN HB3 H 1 2.724 0.003 . 2 . . . . A 14 ASN HB3 . 36068 1 72 . 1 1 15 15 GLY H H 1 8.699 0.001 . 1 . . . . A 15 GLY H . 36068 1 73 . 1 1 15 15 GLY HA2 H 1 4.137 0.001 . 2 . . . . A 15 GLY HA2 . 36068 1 74 . 1 1 15 15 GLY HA3 H 1 3.621 0.009 . 2 . . . . A 15 GLY HA3 . 36068 1 75 . 1 1 16 16 LEU H H 1 7.566 0.002 . 1 . . . . A 16 LEU H . 36068 1 76 . 1 1 16 16 LEU HA H 1 4.381 0.003 . 1 . . . . A 16 LEU HA . 36068 1 77 . 1 1 16 16 LEU HB2 H 1 1.838 0.002 . 2 . . . . A 16 LEU HB2 . 36068 1 78 . 1 1 16 16 LEU HB3 H 1 1.315 0.015 . 2 . . . . A 16 LEU HB3 . 36068 1 79 . 1 1 16 16 LEU HG H 1 1.286 0.003 . 1 . . . . A 16 LEU HG . 36068 1 80 . 1 1 16 16 LEU HD11 H 1 0.760 0.002 . 2 . . . . A 16 LEU HD11 . 36068 1 81 . 1 1 16 16 LEU HD12 H 1 0.760 0.002 . 2 . . . . A 16 LEU HD12 . 36068 1 82 . 1 1 16 16 LEU HD13 H 1 0.760 0.002 . 2 . . . . A 16 LEU HD13 . 36068 1 83 . 1 1 16 16 LEU HD21 H 1 0.645 0.001 . 2 . . . . A 16 LEU HD21 . 36068 1 84 . 1 1 16 16 LEU HD22 H 1 0.645 0.001 . 2 . . . . A 16 LEU HD22 . 36068 1 85 . 1 1 16 16 LEU HD23 H 1 0.645 0.001 . 2 . . . . A 16 LEU HD23 . 36068 1 86 . 1 1 17 17 CYS H H 1 8.717 0.006 . 1 . . . . A 17 CYS H . 36068 1 87 . 1 1 17 17 CYS HA H 1 4.937 0.001 . 1 . . . . A 17 CYS HA . 36068 1 88 . 1 1 17 17 CYS HB2 H 1 4.165 0.009 . 2 . . . . A 17 CYS HB2 . 36068 1 89 . 1 1 17 17 CYS HB3 H 1 2.505 0.005 . 2 . . . . A 17 CYS HB3 . 36068 1 90 . 1 1 18 18 CYS H H 1 8.238 0.007 . 1 . . . . A 18 CYS H . 36068 1 91 . 1 1 18 18 CYS HA H 1 5.266 0.002 . 1 . . . . A 18 CYS HA . 36068 1 92 . 1 1 18 18 CYS HB2 H 1 3.244 0.005 . 2 . . . . A 18 CYS HB2 . 36068 1 93 . 1 1 18 18 CYS HB3 H 1 2.828 0.008 . 2 . . . . A 18 CYS HB3 . 36068 1 94 . 1 1 19 19 SER H H 1 10.129 0.002 . 1 . . . . A 19 SER H . 36068 1 95 . 1 1 19 19 SER HA H 1 5.302 0.001 . 1 . . . . A 19 SER HA . 36068 1 96 . 1 1 19 19 SER HB2 H 1 4.580 0.001 . 2 . . . . A 19 SER HB2 . 36068 1 97 . 1 1 19 19 SER HB3 H 1 4.404 0.001 . 2 . . . . A 19 SER HB3 . 36068 1 98 . 1 1 20 20 GLN H H 1 8.962 0.001 . 1 . . . . A 20 GLN H . 36068 1 99 . 1 1 20 20 GLN HA H 1 4.094 0.001 . 1 . . . . A 20 GLN HA . 36068 1 100 . 1 1 20 20 GLN HB2 H 1 1.739 0.003 . 2 . . . . A 20 GLN HB2 . 36068 1 101 . 1 1 20 20 GLN HB3 H 1 1.739 0.003 . 2 . . . . A 20 GLN HB3 . 36068 1 102 . 1 1 20 20 GLN HG2 H 1 1.900 0.002 . 2 . . . . A 20 GLN HG2 . 36068 1 103 . 1 1 20 20 GLN HG3 H 1 1.505 0.000 . 2 . . . . A 20 GLN HG3 . 36068 1 104 . 1 1 20 20 GLN HE21 H 1 6.981 0.000 . 2 . . . . A 20 GLN HE21 . 36068 1 105 . 1 1 20 20 GLN HE22 H 1 6.834 0.001 . 2 . . . . A 20 GLN HE22 . 36068 1 106 . 1 1 21 21 PHE H H 1 7.492 0.003 . 1 . . . . A 21 PHE H . 36068 1 107 . 1 1 21 21 PHE HA H 1 4.699 0.001 . 1 . . . . A 21 PHE HA . 36068 1 108 . 1 1 21 21 PHE HB2 H 1 3.044 0.002 . 2 . . . . A 21 PHE HB2 . 36068 1 109 . 1 1 21 21 PHE HB3 H 1 3.044 0.002 . 2 . . . . A 21 PHE HB3 . 36068 1 110 . 1 1 21 21 PHE HD1 H 1 6.493 0.000 . 3 . . . . A 21 PHE HD1 . 36068 1 111 . 1 1 21 21 PHE HD2 H 1 6.179 0.000 . 3 . . . . A 21 PHE HD2 . 36068 1 112 . 1 1 22 22 GLY H H 1 7.871 0.002 . 1 . . . . A 22 GLY H . 36068 1 113 . 1 1 22 22 GLY HA2 H 1 3.963 0.006 . 2 . . . . A 22 GLY HA2 . 36068 1 114 . 1 1 22 22 GLY HA3 H 1 3.725 0.004 . 2 . . . . A 22 GLY HA3 . 36068 1 115 . 1 1 23 23 TYR H H 1 7.507 0.007 . 1 . . . . A 23 TYR H . 36068 1 116 . 1 1 23 23 TYR HA H 1 5.071 0.002 . 1 . . . . A 23 TYR HA . 36068 1 117 . 1 1 23 23 TYR HB2 H 1 2.950 0.002 . 2 . . . . A 23 TYR HB2 . 36068 1 118 . 1 1 23 23 TYR HB3 H 1 3.562 0.006 . 2 . . . . A 23 TYR HB3 . 36068 1 119 . 1 1 23 23 TYR HD1 H 1 7.161 0.002 . 3 . . . . A 23 TYR HD1 . 36068 1 120 . 1 1 23 23 TYR HD2 H 1 6.696 0.007 . 3 . . . . A 23 TYR HD2 . 36068 1 121 . 1 1 24 24 CYS H H 1 8.681 0.001 . 1 . . . . A 24 CYS H . 36068 1 122 . 1 1 24 24 CYS HA H 1 5.933 0.001 . 1 . . . . A 24 CYS HA . 36068 1 123 . 1 1 24 24 CYS HB2 H 1 2.840 0.001 . 2 . . . . A 24 CYS HB2 . 36068 1 124 . 1 1 24 24 CYS HB3 H 1 2.840 0.001 . 2 . . . . A 24 CYS HB3 . 36068 1 125 . 1 1 25 25 GLY H H 1 9.085 0.002 . 1 . . . . A 25 GLY H . 36068 1 126 . 1 1 25 25 GLY HA2 H 1 3.675 0.001 . 2 . . . . A 25 GLY HA2 . 36068 1 127 . 1 1 25 25 GLY HA3 H 1 2.115 0.002 . 2 . . . . A 25 GLY HA3 . 36068 1 128 . 1 1 26 26 SER H H 1 8.823 0.006 . 1 . . . . A 26 SER H . 36068 1 129 . 1 1 26 26 SER HA H 1 5.202 0.004 . 1 . . . . A 26 SER HA . 36068 1 130 . 1 1 26 26 SER HB2 H 1 4.119 0.004 . 2 . . . . A 26 SER HB2 . 36068 1 131 . 1 1 26 26 SER HB3 H 1 3.671 0.005 . 2 . . . . A 26 SER HB3 . 36068 1 132 . 1 1 27 27 THR H H 1 7.332 0.002 . 1 . . . . A 27 THR H . 36068 1 133 . 1 1 27 27 THR HA H 1 4.805 0.005 . 1 . . . . A 27 THR HA . 36068 1 134 . 1 1 27 27 THR HG21 H 1 1.356 0.001 . 1 . . . . A 27 THR HG21 . 36068 1 135 . 1 1 27 27 THR HG22 H 1 1.356 0.001 . 1 . . . . A 27 THR HG22 . 36068 1 136 . 1 1 27 27 THR HG23 H 1 1.356 0.001 . 1 . . . . A 27 THR HG23 . 36068 1 137 . 1 1 28 28 PRO HA H 1 4.351 0.001 . 1 . . . . A 28 PRO HA . 36068 1 138 . 1 1 28 28 PRO HB2 H 1 2.233 0.000 . 2 . . . . A 28 PRO HB2 . 36068 1 139 . 1 1 28 28 PRO HB3 H 1 2.013 0.001 . 2 . . . . A 28 PRO HB3 . 36068 1 140 . 1 1 28 28 PRO HG2 H 1 1.902 0.001 . 2 . . . . A 28 PRO HG2 . 36068 1 141 . 1 1 28 28 PRO HG3 H 1 1.902 0.001 . 2 . . . . A 28 PRO HG3 . 36068 1 142 . 1 1 28 28 PRO HD2 H 1 3.767 0.001 . 2 . . . . A 28 PRO HD2 . 36068 1 143 . 1 1 28 28 PRO HD3 H 1 3.695 0.003 . 2 . . . . A 28 PRO HD3 . 36068 1 144 . 1 1 29 29 PRO HA H 1 4.416 0.005 . 1 . . . . A 29 PRO HA . 36068 1 145 . 1 1 29 29 PRO HB2 H 1 2.444 0.001 . 2 . . . . A 29 PRO HB2 . 36068 1 146 . 1 1 29 29 PRO HB3 H 1 2.266 0.000 . 2 . . . . A 29 PRO HB3 . 36068 1 147 . 1 1 29 29 PRO HG2 H 1 2.074 0.000 . 2 . . . . A 29 PRO HG2 . 36068 1 148 . 1 1 29 29 PRO HG3 H 1 2.006 0.000 . 2 . . . . A 29 PRO HG3 . 36068 1 149 . 1 1 29 29 PRO HD2 H 1 3.999 0.004 . 2 . . . . A 29 PRO HD2 . 36068 1 150 . 1 1 29 29 PRO HD3 H 1 3.999 0.004 . 2 . . . . A 29 PRO HD3 . 36068 1 151 . 1 1 30 30 TYR H H 1 8.135 0.008 . 1 . . . . A 30 TYR H . 36068 1 152 . 1 1 30 30 TYR HA H 1 4.178 0.003 . 1 . . . . A 30 TYR HA . 36068 1 153 . 1 1 30 30 TYR HB2 H 1 2.957 0.003 . 2 . . . . A 30 TYR HB2 . 36068 1 154 . 1 1 30 30 TYR HB3 H 1 2.906 0.005 . 2 . . . . A 30 TYR HB3 . 36068 1 155 . 1 1 30 30 TYR HD1 H 1 7.380 0.001 . 3 . . . . A 30 TYR HD1 . 36068 1 156 . 1 1 30 30 TYR HD2 H 1 7.380 0.001 . 3 . . . . A 30 TYR HD2 . 36068 1 157 . 1 1 31 31 CYS H H 1 7.404 0.003 . 1 . . . . A 31 CYS H . 36068 1 158 . 1 1 31 31 CYS HA H 1 4.721 0.006 . 1 . . . . A 31 CYS HA . 36068 1 159 . 1 1 31 31 CYS HB2 H 1 3.304 0.008 . 2 . . . . A 31 CYS HB2 . 36068 1 160 . 1 1 31 31 CYS HB3 H 1 2.514 0.004 . 2 . . . . A 31 CYS HB3 . 36068 1 161 . 1 1 32 32 GLY H H 1 9.097 0.001 . 1 . . . . A 32 GLY H . 36068 1 162 . 1 1 32 32 GLY HA2 H 1 3.980 0.003 . 2 . . . . A 32 GLY HA2 . 36068 1 163 . 1 1 32 32 GLY HA3 H 1 3.829 0.004 . 2 . . . . A 32 GLY HA3 . 36068 1 164 . 1 1 33 33 ALA H H 1 8.504 0.001 . 1 . . . . A 33 ALA H . 36068 1 165 . 1 1 33 33 ALA HA H 1 4.217 0.003 . 1 . . . . A 33 ALA HA . 36068 1 166 . 1 1 33 33 ALA HB1 H 1 1.409 0.002 . 1 . . . . A 33 ALA HB1 . 36068 1 167 . 1 1 33 33 ALA HB2 H 1 1.409 0.002 . 1 . . . . A 33 ALA HB2 . 36068 1 168 . 1 1 33 33 ALA HB3 H 1 1.409 0.002 . 1 . . . . A 33 ALA HB3 . 36068 1 169 . 1 1 34 34 GLY H H 1 8.870 0.004 . 1 . . . . A 34 GLY H . 36068 1 170 . 1 1 34 34 GLY HA2 H 1 4.226 0.002 . 2 . . . . A 34 GLY HA2 . 36068 1 171 . 1 1 34 34 GLY HA3 H 1 3.744 0.003 . 2 . . . . A 34 GLY HA3 . 36068 1 172 . 1 1 35 35 GLN H H 1 7.973 0.006 . 1 . . . . A 35 GLN H . 36068 1 173 . 1 1 35 35 GLN HA H 1 4.365 0.002 . 1 . . . . A 35 GLN HA . 36068 1 174 . 1 1 35 35 GLN HB2 H 1 2.060 0.000 . 2 . . . . A 35 GLN HB2 . 36068 1 175 . 1 1 35 35 GLN HB3 H 1 1.646 0.002 . 2 . . . . A 35 GLN HB3 . 36068 1 176 . 1 1 35 35 GLN HG2 H 1 2.377 0.005 . 2 . . . . A 35 GLN HG2 . 36068 1 177 . 1 1 35 35 GLN HG3 H 1 2.253 0.004 . 2 . . . . A 35 GLN HG3 . 36068 1 178 . 1 1 36 36 CYS H H 1 7.472 0.001 . 1 . . . . A 36 CYS H . 36068 1 179 . 1 1 36 36 CYS HB2 H 1 3.432 0.008 . 2 . . . . A 36 CYS HB2 . 36068 1 180 . 1 1 36 36 CYS HB3 H 1 2.722 0.002 . 2 . . . . A 36 CYS HB3 . 36068 1 181 . 1 1 37 37 GLN H H 1 9.853 0.006 . 1 . . . . A 37 GLN H . 36068 1 182 . 1 1 37 37 GLN HA H 1 4.686 0.002 . 1 . . . . A 37 GLN HA . 36068 1 183 . 1 1 37 37 GLN HB2 H 1 2.175 0.001 . 2 . . . . A 37 GLN HB2 . 36068 1 184 . 1 1 37 37 GLN HB3 H 1 2.080 0.000 . 2 . . . . A 37 GLN HB3 . 36068 1 185 . 1 1 37 37 GLN HG2 H 1 2.172 0.001 . 2 . . . . A 37 GLN HG2 . 36068 1 186 . 1 1 37 37 GLN HG3 H 1 2.088 0.002 . 2 . . . . A 37 GLN HG3 . 36068 1 187 . 1 1 37 37 GLN HE21 H 1 8.046 0.001 . 2 . . . . A 37 GLN HE21 . 36068 1 188 . 1 1 37 37 GLN HE22 H 1 8.372 0.001 . 2 . . . . A 37 GLN HE22 . 36068 1 189 . 1 1 38 38 SER H H 1 7.980 0.001 . 1 . . . . A 38 SER H . 36068 1 190 . 1 1 38 38 SER HA H 1 4.484 0.000 . 1 . . . . A 38 SER HA . 36068 1 191 . 1 1 38 38 SER HB2 H 1 4.160 0.004 . 2 . . . . A 38 SER HB2 . 36068 1 192 . 1 1 38 38 SER HB3 H 1 3.908 0.007 . 2 . . . . A 38 SER HB3 . 36068 1 193 . 1 1 39 39 GLN H H 1 8.909 0.001 . 1 . . . . A 39 GLN H . 36068 1 194 . 1 1 39 39 GLN HA H 1 3.823 0.001 . 1 . . . . A 39 GLN HA . 36068 1 195 . 1 1 39 39 GLN HB2 H 1 2.260 0.004 . 2 . . . . A 39 GLN HB2 . 36068 1 196 . 1 1 39 39 GLN HB3 H 1 2.168 0.001 . 2 . . . . A 39 GLN HB3 . 36068 1 197 . 1 1 39 39 GLN HG2 H 1 2.468 0.009 . 2 . . . . A 39 GLN HG2 . 36068 1 198 . 1 1 39 39 GLN HG3 H 1 2.403 0.001 . 2 . . . . A 39 GLN HG3 . 36068 1 199 . 1 1 39 39 GLN HE21 H 1 7.393 0.001 . 2 . . . . A 39 GLN HE21 . 36068 1 200 . 1 1 39 39 GLN HE22 H 1 7.826 0.000 . 2 . . . . A 39 GLN HE22 . 36068 1 201 . 1 1 40 40 CYS H H 1 7.845 0.001 . 1 . . . . A 40 CYS H . 36068 1 202 . 1 1 40 40 CYS HA H 1 4.837 0.003 . 1 . . . . A 40 CYS HA . 36068 1 203 . 1 1 40 40 CYS HB2 H 1 3.576 0.011 . 2 . . . . A 40 CYS HB2 . 36068 1 204 . 1 1 40 40 CYS HB3 H 1 2.719 0.001 . 2 . . . . A 40 CYS HB3 . 36068 1 stop_ save_