################################### # 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 31024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 '1H chemical shifts were referenced to acetonitrile-d3 at 1.96ppm' _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' . . . 31024 1 2 '2D 1H-1H NOESY' . . . 31024 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 4.122 0.000 . . . 3 . . A 1 PHE HA . 31024 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.037 0.003 . . . 2 . . A 1 PHE HB2 . 31024 1 3 . 1 . 1 1 1 PHE HB3 H 1 3.132 0.007 . . . 2 . . A 1 PHE HB3 . 31024 1 4 . 1 . 1 2 2 ALA H H 1 8.240 0.001 . . . 3 . . A 2 ALA H . 31024 1 5 . 1 . 1 2 2 ALA HA H 1 4.250 0.002 . . . 2 . . A 2 ALA HA . 31024 1 6 . 1 . 1 2 2 ALA HB1 H 1 1.253 0.005 . . . 2 . . A 2 ALA HB1 . 31024 1 7 . 1 . 1 2 2 ALA HB2 H 1 1.253 0.005 . . . 2 . . A 2 ALA HB2 . 31024 1 8 . 1 . 1 2 2 ALA HB3 H 1 1.253 0.005 . . . 2 . . A 2 ALA HB3 . 31024 1 9 . 1 . 1 3 3 ALA H H 1 8.040 0.000 . . . 2 . . A 3 ALA H . 31024 1 10 . 1 . 1 3 3 ALA HA H 1 4.119 0.004 . . . 3 . . A 3 ALA HA . 31024 1 11 . 1 . 1 3 3 ALA HB1 H 1 1.288 0.005 . . . 2 . . A 3 ALA HB1 . 31024 1 12 . 1 . 1 3 3 ALA HB2 H 1 1.288 0.005 . . . 2 . . A 3 ALA HB2 . 31024 1 13 . 1 . 1 3 3 ALA HB3 H 1 1.288 0.005 . . . 2 . . A 3 ALA HB3 . 31024 1 14 . 1 . 1 4 4 ASP H H 1 7.954 0.004 . . . 4 . . A 4 ASP H . 31024 1 15 . 1 . 1 4 4 ASP HA H 1 4.510 0.002 . . . 3 . . A 4 ASP HA . 31024 1 16 . 1 . 1 4 4 ASP HB2 H 1 2.695 0.004 . . . 3 . . A 4 ASP HB2 . 31024 1 17 . 1 . 1 4 4 ASP HB3 H 1 2.695 0.004 . . . 3 . . A 4 ASP HB3 . 31024 1 18 . 1 . 1 5 5 ALA H H 1 7.829 0.003 . . . 6 . . A 5 ALA H . 31024 1 19 . 1 . 1 5 5 ALA HA H 1 4.072 0.005 . . . 3 . . A 5 ALA HA . 31024 1 20 . 1 . 1 5 5 ALA HB1 H 1 1.161 0.003 . . . 3 . . A 5 ALA HB1 . 31024 1 21 . 1 . 1 5 5 ALA HB2 H 1 1.161 0.003 . . . 3 . . A 5 ALA HB2 . 31024 1 22 . 1 . 1 5 5 ALA HB3 H 1 1.161 0.003 . . . 3 . . A 5 ALA HB3 . 31024 1 23 . 1 . 1 6 6 TRP H H 1 7.598 0.002 . . . 7 . . A 6 TRP H . 31024 1 24 . 1 . 1 6 6 TRP HA H 1 4.430 0.003 . . . 4 . . A 6 TRP HA . 31024 1 25 . 1 . 1 6 6 TRP HB2 H 1 3.136 0.003 . . . 6 . . A 6 TRP HB2 . 31024 1 26 . 1 . 1 6 6 TRP HB3 H 1 3.229 0.002 . . . 5 . . A 6 TRP HB3 . 31024 1 27 . 1 . 1 6 6 TRP HD1 H 1 7.162 0.001 . . . 5 . . A 6 TRP HD1 . 31024 1 28 . 1 . 1 6 6 TRP HE1 H 1 9.927 0.001 . . . 2 . . A 6 TRP HE1 . 31024 1 29 . 1 . 1 6 6 TRP HE3 H 1 7.489 0.001 . . . 3 . . A 6 TRP HE3 . 31024 1 30 . 1 . 1 6 6 TRP HZ2 H 1 7.358 0.000 . . . 4 . . A 6 TRP HZ2 . 31024 1 31 . 1 . 1 6 6 TRP HZ3 H 1 7.023 0.000 . . . 2 . . A 6 TRP HZ3 . 31024 1 32 . 1 . 1 6 6 TRP HH2 H 1 7.096 0.001 . . . 2 . . A 6 TRP HH2 . 31024 1 33 . 1 . 1 7 7 ALA H H 1 7.483 0.003 . . . 7 . . A 7 ALA H . 31024 1 34 . 1 . 1 7 7 ALA HA H 1 4.084 0.013 . . . 3 . . A 7 ALA HA . 31024 1 35 . 1 . 1 7 7 ALA HB1 H 1 1.159 0.003 . . . 3 . . A 7 ALA HB1 . 31024 1 36 . 1 . 1 7 7 ALA HB2 H 1 1.159 0.003 . . . 3 . . A 7 ALA HB2 . 31024 1 37 . 1 . 1 7 7 ALA HB3 H 1 1.159 0.003 . . . 3 . . A 7 ALA HB3 . 31024 1 38 . 1 . 1 8 8 ALA H H 1 7.719 0.002 . . . 6 . . A 8 ALA H . 31024 1 39 . 1 . 1 8 8 ALA HA H 1 4.080 0.003 . . . 3 . . A 8 ALA HA . 31024 1 40 . 1 . 1 8 8 ALA HB1 H 1 1.285 0.003 . . . 3 . . A 8 ALA HB1 . 31024 1 41 . 1 . 1 8 8 ALA HB2 H 1 1.285 0.003 . . . 3 . . A 8 ALA HB2 . 31024 1 42 . 1 . 1 8 8 ALA HB3 H 1 1.285 0.003 . . . 3 . . A 8 ALA HB3 . 31024 1 43 . 1 . 1 9 9 GLN H H 1 7.895 0.007 . . . 8 . . A 9 GLN H . 31024 1 44 . 1 . 1 9 9 GLN HA H 1 4.134 0.004 . . . 6 . . A 9 GLN HA . 31024 1 45 . 1 . 1 9 9 GLN HB2 H 1 1.910 0.000 . . . 2 . . A 9 GLN HB2 . 31024 1 46 . 1 . 1 9 9 GLN HB3 H 1 2.009 0.004 . . . 3 . . A 9 GLN HB3 . 31024 1 47 . 1 . 1 9 9 GLN HG2 H 1 2.252 0.003 . . . 3 . . A 9 GLN HG2 . 31024 1 48 . 1 . 1 9 9 GLN HG3 H 1 2.252 0.003 . . . 3 . . A 9 GLN HG3 . 31024 1 49 . 1 . 1 9 9 GLN HE21 H 1 7.230 0.000 . . . 1 . . A 9 GLN HE21 . 31024 1 50 . 1 . 1 9 9 GLN HE22 H 1 6.516 0.000 . . . 1 . . A 9 GLN HE22 . 31024 1 51 . 1 . 1 10 10 ASP H H 1 8.015 0.001 . . . 7 . . A 10 ASP H . 31024 1 52 . 1 . 1 10 10 ASP HA H 1 4.576 0.002 . . . 4 . . A 10 ASP HA . 31024 1 53 . 1 . 1 10 10 ASP HB2 H 1 2.733 0.003 . . . 3 . . A 10 ASP HB2 . 31024 1 54 . 1 . 1 10 10 ASP HB3 H 1 2.835 0.005 . . . 3 . . A 10 ASP HB3 . 31024 1 55 . 1 . 1 11 11 MET H H 1 7.840 0.002 . . . 9 . . A 11 MET H . 31024 1 56 . 1 . 1 11 11 MET HA H 1 4.321 0.002 . . . 5 . . A 11 MET HA . 31024 1 57 . 1 . 1 11 11 MET HB2 H 1 1.907 0.002 . . . 4 . . A 11 MET HB2 . 31024 1 58 . 1 . 1 11 11 MET HB3 H 1 2.016 0.004 . . . 3 . . A 11 MET HB3 . 31024 1 59 . 1 . 1 11 11 MET HG2 H 1 2.424 0.002 . . . 3 . . A 11 MET HG2 . 31024 1 60 . 1 . 1 11 11 MET HG3 H 1 2.505 0.006 . . . 3 . . A 11 MET HG3 . 31024 1 61 . 1 . 1 11 11 MET HE1 H 1 1.99 0.000 . . . 1 . . A 11 MET HE1 . 31024 1 62 . 1 . 1 11 11 MET HE2 H 1 1.99 0.000 . . . 1 . . A 11 MET HE2 . 31024 1 63 . 1 . 1 11 11 MET HE3 H 1 1.99 0.000 . . . 1 . . A 11 MET HE3 . 31024 1 64 . 1 . 1 12 12 ALA H H 1 7.821 0.002 . . . 4 . . A 12 ALA H . 31024 1 65 . 1 . 1 12 12 ALA HA H 1 4.218 0.001 . . . 3 . . A 12 ALA HA . 31024 1 66 . 1 . 1 12 12 ALA HB1 H 1 1.284 0.003 . . . 3 . . A 12 ALA HB1 . 31024 1 67 . 1 . 1 12 12 ALA HB2 H 1 1.284 0.003 . . . 3 . . A 12 ALA HB2 . 31024 1 68 . 1 . 1 12 12 ALA HB3 H 1 1.284 0.003 . . . 3 . . A 12 ALA HB3 . 31024 1 69 . 1 . 1 13 13 DAL H H 1 7.972 0.003 . . . 5 . . A 13 DAL H . 31024 1 70 . 1 . 1 13 13 DAL HA H 1 4.393 0.001 . . . 4 . . A 13 DAL HA . 31024 1 71 . 1 . 1 13 13 DAL HB1 H 1 2.778 0.003 . . . 5 . . A 13 DAL HB1 . 31024 1 72 . 1 . 1 13 13 DAL HB2 H 1 2.778 0.003 . . . 5 . . A 13 DAL HB2 . 31024 1 73 . 1 . 1 14 14 GLY H H 1 8.577 0.002 . . . 7 . . A 14 GLY H . 31024 1 74 . 1 . 1 14 14 GLY HA2 H 1 3.741 0.004 . . . 3 . . A 14 GLY HA2 . 31024 1 75 . 1 . 1 14 14 GLY HA3 H 1 3.931 0.001 . . . 3 . . A 14 GLY HA3 . 31024 1 76 . 1 . 1 15 15 ASN H H 1 7.646 0.002 . . . 7 . . A 15 ASN H . 31024 1 77 . 1 . 1 15 15 ASN HA H 1 5.053 0.002 . . . 5 . . A 15 ASN HA . 31024 1 78 . 1 . 1 15 15 ASN HB2 H 1 2.569 0.005 . . . 6 . . A 15 ASN HB2 . 31024 1 79 . 1 . 1 15 15 ASN HB3 H 1 2.893 0.004 . . . 8 . . A 15 ASN HB3 . 31024 1 80 . 1 . 1 15 15 ASN HD21 H 1 7.394 0.002 . . . 5 . . A 15 ASN HD21 . 31024 1 81 . 1 . 1 15 15 ASN HD22 H 1 6.613 0.003 . . . 6 . . A 15 ASN HD22 . 31024 1 82 . 1 . 1 16 16 PRO HA H 1 4.425 0.002 . . . 4 . . A 16 PRO HA . 31024 1 83 . 1 . 1 16 16 PRO HB2 H 1 2.236 0.001 . . . 2 . . A 16 PRO HB2 . 31024 1 84 . 1 . 1 16 16 PRO HB3 H 1 2.236 0.001 . . . 2 . . A 16 PRO HB3 . 31024 1 85 . 1 . 1 16 16 PRO HG2 H 1 1.929 0.019 . . . 4 . . A 16 PRO HG2 . 31024 1 86 . 1 . 1 16 16 PRO HG3 H 1 1.972 0.004 . . . 2 . . A 16 PRO HG3 . 31024 1 87 . 1 . 1 16 16 PRO HD2 H 1 3.774 0.002 . . . 8 . . A 16 PRO HD2 . 31024 1 88 . 1 . 1 16 16 PRO HD3 H 1 3.774 0.002 . . . 8 . . A 16 PRO HD3 . 31024 1 89 . 1 . 1 17 17 LEU H H 1 8.113 0.002 . . . 12 . . A 17 LEU H . 31024 1 90 . 1 . 1 17 17 LEU HA H 1 4.339 0.002 . . . 8 . . A 17 LEU HA . 31024 1 91 . 1 . 1 17 17 LEU HB2 H 1 1.600 0.004 . . . 3 . . A 17 LEU HB2 . 31024 1 92 . 1 . 1 17 17 LEU HB3 H 1 1.802 0.004 . . . 3 . . A 17 LEU HB3 . 31024 1 93 . 1 . 1 17 17 LEU HG H 1 1.650 0.068 . . . 3 . . A 17 LEU HG . 31024 1 94 . 1 . 1 17 17 LEU HD11 H 1 0.895 0.001 . . . 2 . . A 17 LEU HD11 . 31024 1 95 . 1 . 1 17 17 LEU HD12 H 1 0.895 0.001 . . . 2 . . A 17 LEU HD12 . 31024 1 96 . 1 . 1 17 17 LEU HD13 H 1 0.895 0.001 . . . 2 . . A 17 LEU HD13 . 31024 1 97 . 1 . 1 17 17 LEU HD21 H 1 0.834 0.000 . . . 2 . . A 17 LEU HD21 . 31024 1 98 . 1 . 1 17 17 LEU HD22 H 1 0.834 0.000 . . . 2 . . A 17 LEU HD22 . 31024 1 99 . 1 . 1 17 17 LEU HD23 H 1 0.834 0.000 . . . 2 . . A 17 LEU HD23 . 31024 1 100 . 1 . 1 18 18 DBU H H 1 8.617 0.004 . . . 7 . . A 18 DBU H . 31024 1 101 . 1 . 1 18 18 DBU HB H 1 6.847 0.002 . . . 3 . . A 18 DBU HB . 31024 1 102 . 1 . 1 18 18 DBU HG1 H 1 1.654 0.001 . . . 5 . . A 18 DBU HG1 . 31024 1 103 . 1 . 1 18 18 DBU HG2 H 1 1.654 0.001 . . . 5 . . A 18 DBU HG2 . 31024 1 104 . 1 . 1 18 18 DBU HG3 H 1 1.654 0.001 . . . 5 . . A 18 DBU HG3 . 31024 1 105 . 1 . 1 19 19 DBU H H 1 8.725 0.000 . . . 1 . . A 19 DBU H . 31024 1 106 . 1 . 1 19 19 DBU HB H 1 6.409 0.000 . . . 1 . . A 19 DBU HB . 31024 1 107 . 1 . 1 19 19 DBU HG1 H 1 1.730 0.000 . . . 1 . . A 19 DBU HG1 . 31024 1 108 . 1 . 1 19 19 DBU HG2 H 1 1.730 0.000 . . . 1 . . A 19 DBU HG2 . 31024 1 109 . 1 . 1 19 19 DBU HG3 H 1 1.730 0.000 . . . 1 . . A 19 DBU HG3 . 31024 1 110 . 1 . 1 20 20 DBB HA H 1 4.946 0.002 . . . 3 . . A 20 DBB HA . 31024 1 111 . 1 . 1 20 20 DBB HB2 H 1 3.491 0.002 . . . 5 . . A 20 DBB HB2 . 31024 1 112 . 1 . 1 20 20 DBB HG1 H 1 1.240 0.002 . . . 3 . . A 20 DBB HG1 . 31024 1 113 . 1 . 1 20 20 DBB HG2 H 1 1.240 0.002 . . . 3 . . A 20 DBB HG2 . 31024 1 114 . 1 . 1 20 20 DBB HG3 H 1 1.240 0.002 . . . 3 . . A 20 DBB HG3 . 31024 1 115 . 1 . 1 21 21 PHE H H 1 7.897 0.002 . . . 6 . . A 21 PHE H . 31024 1 116 . 1 . 1 21 21 PHE HA H 1 4.214 0.003 . . . 7 . . A 21 PHE HA . 31024 1 117 . 1 . 1 21 21 PHE HB2 H 1 2.899 0.003 . . . 6 . . A 21 PHE HB2 . 31024 1 118 . 1 . 1 21 21 PHE HB3 H 1 3.260 0.002 . . . 6 . . A 21 PHE HB3 . 31024 1 119 . 1 . 1 21 21 PHE HD1 H 1 7.256 0.001 . . . 5 . . A 21 PHE HD1 . 31024 1 120 . 1 . 1 21 21 PHE HD2 H 1 7.256 0.001 . . . 5 . . A 21 PHE HD2 . 31024 1 121 . 1 . 1 21 21 PHE HE1 H 1 6.846 0.000 . . . 0 . . A 21 PHE HE1 . 31024 1 122 . 1 . 1 21 21 PHE HE2 H 1 6.846 0.000 . . . 0 . . A 21 PHE HE2 . 31024 1 123 . 1 . 1 22 22 CYS H H 1 8.206 0.004 . . . 8 . . A 22 CYS H . 31024 1 124 . 1 . 1 22 22 CYS HA H 1 4.633 0.002 . . . 4 . . A 22 CYS HA . 31024 1 125 . 1 . 1 22 22 CYS HB2 H 1 2.786 0.007 . . . 6 . . A 22 CYS HB2 . 31024 1 126 . 1 . 1 22 22 CYS HB3 H 1 3.176 0.004 . . . 6 . . A 22 CYS HB3 . 31024 1 127 . 1 . 1 23 23 CYS H H 1 7.580 0.001 . . . 8 . . A 23 CYS H . 31024 1 128 . 1 . 1 23 23 CYS HA H 1 4.207 0.005 . . . 6 . . A 23 CYS HA . 31024 1 129 . 1 . 1 23 23 CYS HB2 H 1 3.110 0.008 . . . 5 . . A 23 CYS HB2 . 31024 1 130 . 1 . 1 23 23 CYS HB3 H 1 3.230 0.005 . . . 5 . . A 23 CYS HB3 . 31024 1 131 . 1 . 1 24 24 DAL H H 1 8.763 0.002 . . . 8 . . A 24 DAL H . 31024 1 132 . 1 . 1 24 24 DAL HA H 1 4.822 0.001 . . . 3 . . A 24 DAL HA . 31024 1 133 . 1 . 1 24 24 DAL HB1 H 1 2.966 0.003 . . . 8 . . A 24 DAL HB1 . 31024 1 134 . 1 . 1 24 24 DAL HB2 H 1 2.966 0.003 . . . 8 . . A 24 DAL HB2 . 31024 1 135 . 1 . 1 25 25 VAL H H 1 7.775 0.001 . . . 8 . . A 25 VAL H . 31024 1 136 . 1 . 1 25 25 VAL HA H 1 3.746 0.001 . . . 3 . . A 25 VAL HA . 31024 1 137 . 1 . 1 25 25 VAL HB H 1 1.970 0.001 . . . 2 . . A 25 VAL HB . 31024 1 138 . 1 . 1 25 25 VAL HG11 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG11 . 31024 1 139 . 1 . 1 25 25 VAL HG12 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG12 . 31024 1 140 . 1 . 1 25 25 VAL HG13 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG13 . 31024 1 141 . 1 . 1 25 25 VAL HG21 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG21 . 31024 1 142 . 1 . 1 25 25 VAL HG22 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG22 . 31024 1 143 . 1 . 1 25 25 VAL HG23 H 1 0.882 0.002 . . . 3 . . A 25 VAL HG23 . 31024 1 144 . 1 . 1 26 26 GLN H H 1 8.486 0.002 . . . 9 . . A 26 GLN H . 31024 1 145 . 1 . 1 26 26 GLN HA H 1 4.458 0.007 . . . 6 . . A 26 GLN HA . 31024 1 146 . 1 . 1 26 26 GLN HB2 H 1 1.794 0.002 . . . 2 . . A 26 GLN HB2 . 31024 1 147 . 1 . 1 26 26 GLN HB3 H 1 2.143 0.000 . . . 2 . . A 26 GLN HB3 . 31024 1 148 . 1 . 1 26 26 GLN HG2 H 1 2.200 0.001 . . . 2 . . A 26 GLN HG2 . 31024 1 149 . 1 . 1 26 26 GLN HG3 H 1 2.200 0.001 . . . 2 . . A 26 GLN HG3 . 31024 1 150 . 1 . 1 26 26 GLN HE21 H 1 7.049 0.000 . . . 1 . . A 26 GLN HE21 . 31024 1 151 . 1 . 1 26 26 GLN HE22 H 1 6.447 0.000 . . . 1 . . A 26 GLN HE22 . 31024 1 152 . 1 . 1 27 27 CYS H H 1 7.329 0.003 . . . 6 . . A 27 CYS H . 31024 1 153 . 1 . 1 27 27 CYS HA H 1 4.029 0.002 . . . 5 . . A 27 CYS HA . 31024 1 154 . 1 . 1 27 27 CYS HB2 H 1 2.766 0.002 . . . 5 . . A 27 CYS HB2 . 31024 1 155 . 1 . 1 27 27 CYS HB3 H 1 3.450 0.001 . . . 5 . . A 27 CYS HB3 . 31024 1 156 . 1 . 1 28 28 GLY H H 1 8.139 0.002 . . . 5 . . A 28 GLY H . 31024 1 157 . 1 . 1 28 28 GLY HA2 H 1 3.848 0.000 . . . 1 . . A 28 GLY HA2 . 31024 1 158 . 1 . 1 28 28 GLY HA3 H 1 3.848 0.000 . . . 1 . . A 28 GLY HA3 . 31024 1 stop_ save_