################################### # 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 30354 _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 DQF-COSY' . . . 30354 1 2 '2D 1H-1H TOCSY' . . . 30354 1 3 '2D 1H-1H NOESY' . . . 30354 1 4 '2D 1H-1H NOESY' . . . 30354 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 GLY H H 1 8.410 0.001 . . . . . . A 1 GLY H1 . 30354 1 2 . 1 1 1 1 GLY HA2 H 1 3.870 0.000 . . . . . . A 1 GLY HA2 . 30354 1 3 . 1 1 1 1 GLY HA3 H 1 3.870 0.000 . . . . . . A 1 GLY HA3 . 30354 1 4 . 1 1 2 2 MET H H 1 8.647 0.000 . . . . . . A 2 MET H . 30354 1 5 . 1 1 2 2 MET HA H 1 4.524 0.000 . . . . . . A 2 MET HA . 30354 1 6 . 1 1 2 2 MET HB2 H 1 1.990 0.000 . . . . . . A 2 MET HB2 . 30354 1 7 . 1 1 2 2 MET HB3 H 1 2.090 0.000 . . . . . . A 2 MET HB3 . 30354 1 8 . 1 1 2 2 MET HG2 H 1 2.604 0.001 . . . . . . A 2 MET HG2 . 30354 1 9 . 1 1 2 2 MET HG3 H 1 2.604 0.001 . . . . . . A 2 MET HG3 . 30354 1 10 . 1 1 3 3 ALA H H 1 8.234 0.004 . . . . . . A 3 ALA H . 30354 1 11 . 1 1 3 3 ALA HA H 1 4.327 0.003 . . . . . . A 3 ALA HA . 30354 1 12 . 1 1 3 3 ALA HB1 H 1 1.400 0.001 . . . . . . A 3 ALA HB1 . 30354 1 13 . 1 1 3 3 ALA HB2 H 1 1.400 0.001 . . . . . . A 3 ALA HB2 . 30354 1 14 . 1 1 3 3 ALA HB3 H 1 1.400 0.001 . . . . . . A 3 ALA HB3 . 30354 1 15 . 1 1 4 4 CYS H H 1 8.082 0.000 . . . . . . A 4 CYS H . 30354 1 16 . 1 1 4 4 CYS HA H 1 4.648 0.000 . . . . . . A 4 CYS HA . 30354 1 17 . 1 1 4 4 CYS HB2 H 1 3.044 0.001 . . . . . . A 4 CYS HB2 . 30354 1 18 . 1 1 4 4 CYS HB3 H 1 3.171 0.001 . . . . . . A 4 CYS HB3 . 30354 1 19 . 1 1 5 5 GLN H H 1 8.442 0.000 . . . . . . A 5 GLN H . 30354 1 20 . 1 1 5 5 GLN HA H 1 4.654 0.000 . . . . . . A 5 GLN HA . 30354 1 21 . 1 1 5 5 GLN HB2 H 1 1.819 0.001 . . . . . . A 5 GLN HB2 . 30354 1 22 . 1 1 5 5 GLN HB3 H 1 2.037 0.001 . . . . . . A 5 GLN HB3 . 30354 1 23 . 1 1 5 5 GLN HG2 H 1 2.431 0.000 . . . . . . A 5 GLN HG2 . 30354 1 24 . 1 1 5 5 GLN HG3 H 1 2.431 0.000 . . . . . . A 5 GLN HG3 . 30354 1 25 . 1 1 6 6 PHE H H 1 9.112 0.001 . . . . . . A 6 PHE H . 30354 1 26 . 1 1 6 6 PHE HD1 H 1 7.321 0.000 . . . . . . A 6 PHE HD1 . 30354 1 27 . 1 1 6 6 PHE HD2 H 1 7.321 0.000 . . . . . . A 6 PHE HD2 . 30354 1 28 . 1 1 6 6 PHE HE1 H 1 7.371 0.000 . . . . . . A 6 PHE HE1 . 30354 1 29 . 1 1 6 6 PHE HE2 H 1 7.371 0.000 . . . . . . A 6 PHE HE2 . 30354 1 30 . 1 1 6 6 PHE HZ H 1 7.141 0.004 . . . . . . A 6 PHE HZ . 30354 1 31 . 1 1 7 7 TRP H H 1 8.445 0.000 . . . . . . A 7 TRP H . 30354 1 32 . 1 1 7 7 TRP HA H 1 4.001 0.000 . . . . . . A 7 TRP HA . 30354 1 33 . 1 1 7 7 TRP HB2 H 1 3.397 0.000 . . . . . . A 7 TRP HB2 . 30354 1 34 . 1 1 7 7 TRP HB3 H 1 2.944 0.003 . . . . . . A 7 TRP HB3 . 30354 1 35 . 1 1 7 7 TRP HD1 H 1 7.429 0.001 . . . . . . A 7 TRP HD1 . 30354 1 36 . 1 1 7 7 TRP HE1 H 1 10.201 0.000 . . . . . . A 7 TRP HE1 . 30354 1 37 . 1 1 7 7 TRP HE3 H 1 7.553 0.002 . . . . . . A 7 TRP HE3 . 30354 1 38 . 1 1 7 7 TRP HZ2 H 1 7.229 0.004 . . . . . . A 7 TRP HZ2 . 30354 1 39 . 1 1 7 7 TRP HZ3 H 1 7.448 0.002 . . . . . . A 7 TRP HZ3 . 30354 1 40 . 1 1 7 7 TRP HH2 H 1 7.303 0.002 . . . . . . A 7 TRP HH2 . 30354 1 41 . 1 1 8 8 SER H H 1 7.022 0.001 . . . . . . A 8 SER H . 30354 1 42 . 1 1 8 8 SER HA H 1 4.044 0.000 . . . . . . A 8 SER HA . 30354 1 43 . 1 1 8 8 SER HB2 H 1 3.308 0.002 . . . . . . A 8 SER HB2 . 30354 1 44 . 1 1 8 8 SER HB3 H 1 3.736 0.000 . . . . . . A 8 SER HB3 . 30354 1 45 . 1 1 9 9 CYS H H 1 8.313 0.000 . . . . . . A 9 CYS H . 30354 1 46 . 1 1 9 9 CYS HA H 1 4.587 0.000 . . . . . . A 9 CYS HA . 30354 1 47 . 1 1 9 9 CYS HB2 H 1 3.406 0.000 . . . . . . A 9 CYS HB2 . 30354 1 48 . 1 1 9 9 CYS HB3 H 1 2.451 0.001 . . . . . . A 9 CYS HB3 . 30354 1 49 . 1 1 10 10 ASN H H 1 8.511 0.002 . . . . . . A 10 ASN H . 30354 1 50 . 1 1 10 10 ASN HA H 1 3.844 0.000 . . . . . . A 10 ASN HA . 30354 1 51 . 1 1 10 10 ASN HB2 H 1 2.234 0.002 . . . . . . A 10 ASN HB2 . 30354 1 52 . 1 1 10 10 ASN HB3 H 1 2.281 0.000 . . . . . . A 10 ASN HB3 . 30354 1 53 . 1 1 10 10 ASN HD21 H 1 7.418 0.001 . . . . . . A 10 ASN HD21 . 30354 1 54 . 1 1 10 10 ASN HD22 H 1 6.616 0.000 . . . . . . A 10 ASN HD22 . 30354 1 55 . 1 1 11 11 SER H H 1 7.882 0.000 . . . . . . A 11 SER H . 30354 1 56 . 1 1 11 11 SER HA H 1 4.020 0.001 . . . . . . A 11 SER HA . 30354 1 57 . 1 1 11 11 SER HB2 H 1 3.816 0.000 . . . . . . A 11 SER HB2 . 30354 1 58 . 1 1 11 11 SER HB3 H 1 3.816 0.000 . . . . . . A 11 SER HB3 . 30354 1 59 . 1 1 12 12 SER H H 1 8.186 0.000 . . . . . . A 12 SER H . 30354 1 60 . 1 1 12 12 SER HA H 1 4.253 0.000 . . . . . . A 12 SER HA . 30354 1 61 . 1 1 12 12 SER HB2 H 1 4.071 0.000 . . . . . . A 12 SER HB2 . 30354 1 62 . 1 1 12 12 SER HB3 H 1 4.071 0.000 . . . . . . A 12 SER HB3 . 30354 1 63 . 1 1 13 13 CYS H H 1 8.319 0.000 . . . . . . A 13 CYS H . 30354 1 64 . 1 1 13 13 CYS HA H 1 4.411 0.000 . . . . . . A 13 CYS HA . 30354 1 65 . 1 1 13 13 CYS HB2 H 1 2.587 0.003 . . . . . . A 13 CYS HB2 . 30354 1 66 . 1 1 13 13 CYS HB3 H 1 2.545 0.000 . . . . . . A 13 CYS HB3 . 30354 1 67 . 1 1 14 14 ILE H H 1 8.300 0.000 . . . . . . A 14 ILE H . 30354 1 68 . 1 1 14 14 ILE HA H 1 4.383 0.000 . . . . . . A 14 ILE HA . 30354 1 69 . 1 1 14 14 ILE HB H 1 1.774 0.000 . . . . . . A 14 ILE HB . 30354 1 70 . 1 1 14 14 ILE HG12 H 1 0.985 0.002 . . . . . . A 14 ILE HG12 . 30354 1 71 . 1 1 14 14 ILE HG13 H 1 1.395 0.000 . . . . . . A 14 ILE HG13 . 30354 1 72 . 1 1 14 14 ILE HG21 H 1 0.929 0.000 . . . . . . A 14 ILE HG21 . 30354 1 73 . 1 1 14 14 ILE HG22 H 1 0.929 0.000 . . . . . . A 14 ILE HG22 . 30354 1 74 . 1 1 14 14 ILE HG23 H 1 0.929 0.000 . . . . . . A 14 ILE HG23 . 30354 1 75 . 1 1 14 14 ILE HD11 H 1 0.795 0.000 . . . . . . A 14 ILE HD11 . 30354 1 76 . 1 1 14 14 ILE HD12 H 1 0.795 0.000 . . . . . . A 14 ILE HD12 . 30354 1 77 . 1 1 14 14 ILE HD13 H 1 0.795 0.000 . . . . . . A 14 ILE HD13 . 30354 1 78 . 1 1 15 15 SER H H 1 8.288 0.000 . . . . . . A 15 SER H . 30354 1 79 . 1 1 15 15 SER HA H 1 4.362 0.000 . . . . . . A 15 SER HA . 30354 1 80 . 1 1 15 15 SER HB2 H 1 4.092 0.000 . . . . . . A 15 SER HB2 . 30354 1 81 . 1 1 15 15 SER HB3 H 1 4.092 0.000 . . . . . . A 15 SER HB3 . 30354 1 82 . 1 1 16 16 ARG H H 1 7.455 0.000 . . . . . . A 16 ARG H . 30354 1 83 . 1 1 16 16 ARG HA H 1 4.479 0.000 . . . . . . A 16 ARG HA . 30354 1 84 . 1 1 16 16 ARG HB2 H 1 2.063 0.000 . . . . . . A 16 ARG HB2 . 30354 1 85 . 1 1 16 16 ARG HB3 H 1 2.454 0.000 . . . . . . A 16 ARG HB3 . 30354 1 86 . 1 1 16 16 ARG HG2 H 1 1.830 0.000 . . . . . . A 16 ARG HG2 . 30354 1 87 . 1 1 16 16 ARG HG3 H 1 1.956 0.006 . . . . . . A 16 ARG HG3 . 30354 1 88 . 1 1 16 16 ARG HD2 H 1 3.284 0.000 . . . . . . A 16 ARG HD2 . 30354 1 89 . 1 1 16 16 ARG HD3 H 1 3.284 0.000 . . . . . . A 16 ARG HD3 . 30354 1 90 . 1 1 16 16 ARG HE H 1 6.832 0.000 . . . . . . A 16 ARG HE . 30354 1 91 . 1 1 17 17 GLY H H 1 7.924 0.002 . . . . . . A 17 GLY H . 30354 1 92 . 1 1 17 17 GLY HA2 H 1 3.713 0.002 . . . . . . A 17 GLY HA2 . 30354 1 93 . 1 1 17 17 GLY HA3 H 1 4.150 0.002 . . . . . . A 17 GLY HA3 . 30354 1 94 . 1 1 18 18 TYR H H 1 7.909 0.001 . . . . . . A 18 TYR H . 30354 1 95 . 1 1 18 18 TYR HA H 1 4.597 0.000 . . . . . . A 18 TYR HA . 30354 1 96 . 1 1 18 18 TYR HB2 H 1 2.355 0.002 . . . . . . A 18 TYR HB2 . 30354 1 97 . 1 1 18 18 TYR HB3 H 1 3.434 0.001 . . . . . . A 18 TYR HB3 . 30354 1 98 . 1 1 18 18 TYR HD1 H 1 7.126 0.003 . . . . . . A 18 TYR HD1 . 30354 1 99 . 1 1 18 18 TYR HD2 H 1 7.126 0.003 . . . . . . A 18 TYR HD2 . 30354 1 100 . 1 1 18 18 TYR HE1 H 1 6.736 0.000 . . . . . . A 18 TYR HE1 . 30354 1 101 . 1 1 18 18 TYR HE2 H 1 6.736 0.000 . . . . . . A 18 TYR HE2 . 30354 1 102 . 1 1 19 19 ARG H H 1 8.777 0.001 . . . . . . A 19 ARG H . 30354 1 103 . 1 1 19 19 ARG HA H 1 4.248 0.003 . . . . . . A 19 ARG HA . 30354 1 104 . 1 1 19 19 ARG HB2 H 1 1.773 0.007 . . . . . . A 19 ARG HB2 . 30354 1 105 . 1 1 19 19 ARG HB3 H 1 1.950 0.001 . . . . . . A 19 ARG HB3 . 30354 1 106 . 1 1 19 19 ARG HG2 H 1 1.707 0.002 . . . . . . A 19 ARG HG2 . 30354 1 107 . 1 1 19 19 ARG HG3 H 1 1.707 0.002 . . . . . . A 19 ARG HG3 . 30354 1 108 . 1 1 19 19 ARG HD2 H 1 3.254 0.001 . . . . . . A 19 ARG HD2 . 30354 1 109 . 1 1 19 19 ARG HD3 H 1 3.254 0.001 . . . . . . A 19 ARG HD3 . 30354 1 110 . 1 1 19 19 ARG HE H 1 7.287 0.003 . . . . . . A 19 ARG HE . 30354 1 111 . 1 1 20 20 GLN H H 1 8.084 0.001 . . . . . . A 20 GLN H . 30354 1 112 . 1 1 20 20 GLN HA H 1 4.722 0.003 . . . . . . A 20 GLN HA . 30354 1 113 . 1 1 20 20 GLN HB2 H 1 1.802 0.000 . . . . . . A 20 GLN HB2 . 30354 1 114 . 1 1 20 20 GLN HB3 H 1 2.000 0.001 . . . . . . A 20 GLN HB3 . 30354 1 115 . 1 1 20 20 GLN HG2 H 1 2.053 0.000 . . . . . . A 20 GLN HG2 . 30354 1 116 . 1 1 20 20 GLN HG3 H 1 2.053 0.000 . . . . . . A 20 GLN HG3 . 30354 1 117 . 1 1 21 21 GLY H H 1 7.406 0.003 . . . . . . A 21 GLY H . 30354 1 118 . 1 1 21 21 GLY HA2 H 1 3.428 0.000 . . . . . . A 21 GLY HA2 . 30354 1 119 . 1 1 21 21 GLY HA3 H 1 3.428 0.000 . . . . . . A 21 GLY HA3 . 30354 1 120 . 1 1 22 22 LYS H H 1 8.925 0.000 . . . . . . A 22 LYS H . 30354 1 121 . 1 1 22 22 LYS HA H 1 4.794 0.000 . . . . . . A 22 LYS HA . 30354 1 122 . 1 1 22 22 LYS HB2 H 1 1.981 0.001 . . . . . . A 22 LYS HB2 . 30354 1 123 . 1 1 22 22 LYS HB3 H 1 1.981 0.001 . . . . . . A 22 LYS HB3 . 30354 1 124 . 1 1 22 22 LYS HG2 H 1 1.302 0.000 . . . . . . A 22 LYS HG2 . 30354 1 125 . 1 1 22 22 LYS HG3 H 1 1.302 0.000 . . . . . . A 22 LYS HG3 . 30354 1 126 . 1 1 22 22 LYS HD2 H 1 1.513 0.000 . . . . . . A 22 LYS HD2 . 30354 1 127 . 1 1 22 22 LYS HD3 H 1 1.513 0.000 . . . . . . A 22 LYS HD3 . 30354 1 128 . 1 1 22 22 LYS HE2 H 1 2.461 0.005 . . . . . . A 22 LYS HE2 . 30354 1 129 . 1 1 22 22 LYS HE3 H 1 2.461 0.005 . . . . . . A 22 LYS HE3 . 30354 1 130 . 1 1 22 22 LYS HZ1 H 1 7.132 0.006 . . . . . . A 22 LYS HZ1 . 30354 1 131 . 1 1 22 22 LYS HZ2 H 1 7.132 0.006 . . . . . . A 22 LYS HZ2 . 30354 1 132 . 1 1 22 22 LYS HZ3 H 1 7.132 0.006 . . . . . . A 22 LYS HZ3 . 30354 1 133 . 1 1 23 23 CYS H H 1 8.824 0.000 . . . . . . A 23 CYS H . 30354 1 134 . 1 1 23 23 CYS HA H 1 4.994 0.016 . . . . . . A 23 CYS HA . 30354 1 135 . 1 1 23 23 CYS HB2 H 1 2.701 0.010 . . . . . . A 23 CYS HB2 . 30354 1 136 . 1 1 23 23 CYS HB3 H 1 3.111 0.000 . . . . . . A 23 CYS HB3 . 30354 1 137 . 1 1 24 24 TRP HD1 H 1 7.234 0.000 . . . . . . A 24 TRP HD1 . 30354 1 138 . 1 1 24 24 TRP HE1 H 1 10.106 0.000 . . . . . . A 24 TRP HE1 . 30354 1 139 . 1 1 24 24 TRP HE3 H 1 7.610 0.128 . . . . . . A 24 TRP HE3 . 30354 1 140 . 1 1 24 24 TRP HZ3 H 1 7.428 0.001 . . . . . . A 24 TRP HZ3 . 30354 1 141 . 1 1 24 24 TRP HH2 H 1 7.184 0.002 . . . . . . A 24 TRP HH2 . 30354 1 142 . 1 1 25 25 GLY H H 1 8.368 0.000 . . . . . . A 25 GLY H . 30354 1 143 . 1 1 25 25 GLY HA2 H 1 3.921 0.002 . . . . . . A 25 GLY HA2 . 30354 1 144 . 1 1 25 25 GLY HA3 H 1 4.018 0.002 . . . . . . A 25 GLY HA3 . 30354 1 145 . 1 1 26 26 ILE H H 1 7.438 0.000 . . . . . . A 26 ILE H . 30354 1 146 . 1 1 26 26 ILE HA H 1 4.775 0.000 . . . . . . A 26 ILE HA . 30354 1 147 . 1 1 26 26 ILE HB H 1 2.862 0.002 . . . . . . A 26 ILE HB . 30354 1 148 . 1 1 26 26 ILE HG12 H 1 1.306 0.001 . . . . . . A 26 ILE HG12 . 30354 1 149 . 1 1 26 26 ILE HG13 H 1 1.406 0.000 . . . . . . A 26 ILE HG13 . 30354 1 150 . 1 1 26 26 ILE HG21 H 1 1.176 0.001 . . . . . . A 26 ILE HG21 . 30354 1 151 . 1 1 26 26 ILE HG22 H 1 1.176 0.001 . . . . . . A 26 ILE HG22 . 30354 1 152 . 1 1 26 26 ILE HG23 H 1 1.176 0.001 . . . . . . A 26 ILE HG23 . 30354 1 153 . 1 1 26 26 ILE HD11 H 1 1.104 0.000 . . . . . . A 26 ILE HD11 . 30354 1 154 . 1 1 26 26 ILE HD12 H 1 1.104 0.000 . . . . . . A 26 ILE HD12 . 30354 1 155 . 1 1 26 26 ILE HD13 H 1 1.104 0.000 . . . . . . A 26 ILE HD13 . 30354 1 156 . 1 1 27 27 GLN H H 1 8.158 0.000 . . . . . . A 27 GLN H . 30354 1 157 . 1 1 27 27 GLN HA H 1 4.521 0.001 . . . . . . A 27 GLN HA . 30354 1 158 . 1 1 27 27 GLN HB2 H 1 1.998 0.000 . . . . . . A 27 GLN HB2 . 30354 1 159 . 1 1 27 27 GLN HB3 H 1 2.105 0.000 . . . . . . A 27 GLN HB3 . 30354 1 160 . 1 1 27 27 GLN HG2 H 1 2.516 0.001 . . . . . . A 27 GLN HG2 . 30354 1 161 . 1 1 27 27 GLN HG3 H 1 2.594 0.000 . . . . . . A 27 GLN HG3 . 30354 1 162 . 1 1 28 28 TYR H H 1 8.720 0.002 . . . . . . A 28 TYR H . 30354 1 163 . 1 1 28 28 TYR HA H 1 5.357 0.000 . . . . . . A 28 TYR HA . 30354 1 164 . 1 1 28 28 TYR HB2 H 1 3.665 0.000 . . . . . . A 28 TYR HB2 . 30354 1 165 . 1 1 28 28 TYR HB3 H 1 3.665 0.000 . . . . . . A 28 TYR HB3 . 30354 1 166 . 1 1 29 29 LYS H H 1 8.929 0.000 . . . . . . A 29 LYS H . 30354 1 167 . 1 1 29 29 LYS HA H 1 4.717 0.003 . . . . . . A 29 LYS HA . 30354 1 168 . 1 1 29 29 LYS HB2 H 1 1.951 0.000 . . . . . . A 29 LYS HB2 . 30354 1 169 . 1 1 29 29 LYS HB3 H 1 1.951 0.000 . . . . . . A 29 LYS HB3 . 30354 1 170 . 1 1 29 29 LYS HG2 H 1 1.307 0.000 . . . . . . A 29 LYS HG2 . 30354 1 171 . 1 1 29 29 LYS HG3 H 1 1.307 0.000 . . . . . . A 29 LYS HG3 . 30354 1 172 . 1 1 29 29 LYS HD2 H 1 1.464 0.000 . . . . . . A 29 LYS HD2 . 30354 1 173 . 1 1 29 29 LYS HD3 H 1 1.464 0.000 . . . . . . A 29 LYS HD3 . 30354 1 174 . 1 1 30 30 TYR H H 1 8.683 0.004 . . . . . . A 30 TYR H . 30354 1 175 . 1 1 30 30 TYR HA H 1 5.358 0.001 . . . . . . A 30 TYR HA . 30354 1 176 . 1 1 30 30 TYR HB2 H 1 2.777 0.003 . . . . . . A 30 TYR HB2 . 30354 1 177 . 1 1 30 30 TYR HB3 H 1 2.777 0.003 . . . . . . A 30 TYR HB3 . 30354 1 178 . 1 1 31 31 CYS H H 1 8.824 0.000 . . . . . . A 31 CYS H . 30354 1 179 . 1 1 31 31 CYS HA H 1 4.971 0.000 . . . . . . A 31 CYS HA . 30354 1 180 . 1 1 31 31 CYS HB2 H 1 2.697 0.000 . . . . . . A 31 CYS HB2 . 30354 1 181 . 1 1 31 31 CYS HB3 H 1 3.093 0.000 . . . . . . A 31 CYS HB3 . 30354 1 182 . 1 1 32 32 GLN H H 1 9.341 0.001 . . . . . . A 32 GLN H . 30354 1 183 . 1 1 32 32 GLN HA H 1 4.609 0.003 . . . . . . A 32 GLN HA . 30354 1 184 . 1 1 32 32 GLN HB2 H 1 1.869 0.000 . . . . . . A 32 GLN HB2 . 30354 1 185 . 1 1 32 32 GLN HB3 H 1 1.869 0.000 . . . . . . A 32 GLN HB3 . 30354 1 186 . 1 1 32 32 GLN HG2 H 1 1.958 0.000 . . . . . . A 32 GLN HG2 . 30354 1 187 . 1 1 32 32 GLN HG3 H 1 1.958 0.000 . . . . . . A 32 GLN HG3 . 30354 1 188 . 1 1 32 32 GLN HE21 H 1 6.940 0.000 . . . . . . A 32 GLN HE21 . 30354 1 189 . 1 1 32 32 GLN HE22 H 1 6.808 0.000 . . . . . . A 32 GLN HE22 . 30354 1 190 . 1 1 33 33 CYS H H 1 8.338 0.000 . . . . . . A 33 CYS H . 30354 1 191 . 1 1 33 33 CYS HA H 1 5.393 0.000 . . . . . . A 33 CYS HA . 30354 1 192 . 1 1 33 33 CYS HB2 H 1 1.277 0.000 . . . . . . A 33 CYS HB2 . 30354 1 193 . 1 1 33 33 CYS HB3 H 1 2.122 0.005 . . . . . . A 33 CYS HB3 . 30354 1 194 . 1 1 34 34 TYR H H 1 8.712 0.002 . . . . . . A 34 TYR H . 30354 1 195 . 1 1 34 34 TYR HA H 1 4.569 0.000 . . . . . . A 34 TYR HA . 30354 1 196 . 1 1 34 34 TYR HB2 H 1 2.825 0.000 . . . . . . A 34 TYR HB2 . 30354 1 197 . 1 1 34 34 TYR HB3 H 1 3.087 0.002 . . . . . . A 34 TYR HB3 . 30354 1 198 . 1 1 34 34 TYR HD1 H 1 6.991 0.001 . . . . . . A 34 TYR HD1 . 30354 1 199 . 1 1 34 34 TYR HD2 H 1 6.991 0.001 . . . . . . A 34 TYR HD2 . 30354 1 200 . 1 1 34 34 TYR HE1 H 1 6.575 0.001 . . . . . . A 34 TYR HE1 . 30354 1 201 . 1 1 34 34 TYR HE2 H 1 6.575 0.001 . . . . . . A 34 TYR HE2 . 30354 1 stop_ save_