################################### # 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 30281 _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' . . . 30281 1 2 '2D 1H-1H COSY' . . . 30281 1 3 '2D 1H-1H NOESY' . . . 30281 1 4 '2D 1H-13C HSQC' . . . 30281 1 5 '2D 1H-15N HSQC' . . . 30281 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 ALA H H 1 8.296 0.001 . 1 . . . . A 1 ALA H1 . 30281 1 2 . 1 1 1 1 ALA HA H 1 4.238 0.000 . 1 . . . . A 1 ALA HA . 30281 1 3 . 1 1 1 1 ALA HB1 H 1 1.343 0.000 . 1 . . . . A 1 ALA HB1 . 30281 1 4 . 1 1 1 1 ALA HB2 H 1 1.343 0.000 . 1 . . . . A 1 ALA HB2 . 30281 1 5 . 1 1 1 1 ALA HB3 H 1 1.343 0.000 . 1 . . . . A 1 ALA HB3 . 30281 1 6 . 1 1 1 1 ALA CA C 13 49.893 0.000 . 1 . . . . A 1 ALA CA . 30281 1 7 . 1 1 2 2 MET H H 1 8.473 0.003 . 1 . . . . A 2 MET H . 30281 1 8 . 1 1 2 2 MET HA H 1 4.494 0.002 . 1 . . . . A 2 MET HA . 30281 1 9 . 1 1 2 2 MET HB2 H 1 2.065 0.000 . 2 . . . . A 2 MET HB2 . 30281 1 10 . 1 1 2 2 MET HB3 H 1 2.003 0.000 . 2 . . . . A 2 MET HB3 . 30281 1 11 . 1 1 2 2 MET HG2 H 1 2.593 0.000 . 2 . . . . A 2 MET HG2 . 30281 1 12 . 1 1 2 2 MET HG3 H 1 2.512 0.000 . 2 . . . . A 2 MET HG3 . 30281 1 13 . 1 1 2 2 MET CA C 13 52.837 0.000 . 1 . . . . A 2 MET CA . 30281 1 14 . 1 1 2 2 MET N N 15 119.809 0.016 . 1 . . . . A 2 MET N . 30281 1 15 . 1 1 3 3 VAL H H 1 8.194 0.001 . 1 . . . . A 3 VAL H . 30281 1 16 . 1 1 3 3 VAL HA H 1 4.110 0.000 . 1 . . . . A 3 VAL HA . 30281 1 17 . 1 1 3 3 VAL HB H 1 2.064 0.000 . 1 . . . . A 3 VAL HB . 30281 1 18 . 1 1 3 3 VAL HG11 H 1 0.923 0.000 . 2 . . . . A 3 VAL HG11 . 30281 1 19 . 1 1 3 3 VAL HG12 H 1 0.923 0.000 . 2 . . . . A 3 VAL HG12 . 30281 1 20 . 1 1 3 3 VAL HG13 H 1 0.923 0.000 . 2 . . . . A 3 VAL HG13 . 30281 1 21 . 1 1 3 3 VAL HG21 H 1 0.923 0.000 . 2 . . . . A 3 VAL HG21 . 30281 1 22 . 1 1 3 3 VAL HG22 H 1 0.923 0.000 . 2 . . . . A 3 VAL HG22 . 30281 1 23 . 1 1 3 3 VAL HG23 H 1 0.923 0.000 . 2 . . . . A 3 VAL HG23 . 30281 1 24 . 1 1 4 4 SER H H 1 8.373 0.000 . 1 . . . . A 4 SER H . 30281 1 25 . 1 1 4 4 SER HA H 1 4.385 0.001 . 1 . . . . A 4 SER HA . 30281 1 26 . 1 1 4 4 SER HB2 H 1 3.869 0.001 . 2 . . . . A 4 SER HB2 . 30281 1 27 . 1 1 4 4 SER HB3 H 1 3.783 0.000 . 2 . . . . A 4 SER HB3 . 30281 1 28 . 1 1 4 4 SER CA C 13 55.782 0.000 . 1 . . . . A 4 SER CA . 30281 1 29 . 1 1 4 4 SER CB C 13 61.075 0.000 . 1 . . . . A 4 SER CB . 30281 1 30 . 1 1 5 5 GLU H H 1 8.529 0.002 . 1 . . . . A 5 GLU H . 30281 1 31 . 1 1 5 5 GLU HA H 1 4.162 0.000 . 1 . . . . A 5 GLU HA . 30281 1 32 . 1 1 5 5 GLU HB2 H 1 1.867 0.000 . 2 . . . . A 5 GLU HB2 . 30281 1 33 . 1 1 5 5 GLU HB3 H 1 1.867 0.000 . 2 . . . . A 5 GLU HB3 . 30281 1 34 . 1 1 5 5 GLU HG2 H 1 2.115 0.000 . 2 . . . . A 5 GLU HG2 . 30281 1 35 . 1 1 5 5 GLU HG3 H 1 2.065 0.000 . 2 . . . . A 5 GLU HG3 . 30281 1 36 . 1 1 5 5 GLU N N 15 123.370 0.015 . 1 . . . . A 5 GLU N . 30281 1 37 . 1 1 6 6 PHE H H 1 8.130 0.003 . 1 . . . . A 6 PHE H . 30281 1 38 . 1 1 6 6 PHE HA H 1 4.542 0.000 . 1 . . . . A 6 PHE HA . 30281 1 39 . 1 1 6 6 PHE HB2 H 1 2.985 0.002 . 2 . . . . A 6 PHE HB2 . 30281 1 40 . 1 1 6 6 PHE HB3 H 1 3.124 0.001 . 2 . . . . A 6 PHE HB3 . 30281 1 41 . 1 1 6 6 PHE HD1 H 1 7.208 0.000 . 1 . . . . A 6 PHE HD1 . 30281 1 42 . 1 1 6 6 PHE HD2 H 1 7.208 0.000 . 1 . . . . A 6 PHE HD2 . 30281 1 43 . 1 1 6 6 PHE HE1 H 1 7.324 0.001 . 1 . . . . A 6 PHE HE1 . 30281 1 44 . 1 1 6 6 PHE HE2 H 1 7.324 0.001 . 1 . . . . A 6 PHE HE2 . 30281 1 45 . 1 1 6 6 PHE N N 15 120.169 0.005 . 1 . . . . A 6 PHE N . 30281 1 46 . 1 1 7 7 LEU H H 1 7.964 0.002 . 1 . . . . A 7 LEU H . 30281 1 47 . 1 1 7 7 LEU HA H 1 4.240 0.000 . 1 . . . . A 7 LEU HA . 30281 1 48 . 1 1 7 7 LEU HB2 H 1 1.595 0.000 . 2 . . . . A 7 LEU HB2 . 30281 1 49 . 1 1 7 7 LEU HB3 H 1 1.514 0.000 . 2 . . . . A 7 LEU HB3 . 30281 1 50 . 1 1 7 7 LEU HD11 H 1 0.899 0.000 . 2 . . . . A 7 LEU HD11 . 30281 1 51 . 1 1 7 7 LEU HD12 H 1 0.899 0.000 . 2 . . . . A 7 LEU HD12 . 30281 1 52 . 1 1 7 7 LEU HD13 H 1 0.899 0.000 . 2 . . . . A 7 LEU HD13 . 30281 1 53 . 1 1 7 7 LEU HD21 H 1 0.844 0.000 . 2 . . . . A 7 LEU HD21 . 30281 1 54 . 1 1 7 7 LEU HD22 H 1 0.844 0.000 . 2 . . . . A 7 LEU HD22 . 30281 1 55 . 1 1 7 7 LEU HD23 H 1 0.844 0.000 . 2 . . . . A 7 LEU HD23 . 30281 1 56 . 1 1 7 7 LEU N N 15 122.889 0.016 . 1 . . . . A 7 LEU N . 30281 1 57 . 1 1 8 8 LYS H H 1 8.098 0.003 . 1 . . . . A 8 LYS H . 30281 1 58 . 1 1 8 8 LYS HA H 1 4.149 0.000 . 1 . . . . A 8 LYS HA . 30281 1 59 . 1 1 8 8 LYS N N 15 121.960 0.003 . 1 . . . . A 8 LYS N . 30281 1 60 . 1 1 9 9 GLN H H 1 8.195 0.001 . 1 . . . . A 9 GLN H . 30281 1 61 . 1 1 9 9 GLN HA H 1 4.180 0.000 . 1 . . . . A 9 GLN HA . 30281 1 62 . 1 1 9 9 GLN HB2 H 1 1.836 0.001 . 2 . . . . A 9 GLN HB2 . 30281 1 63 . 1 1 9 9 GLN HB3 H 1 1.783 0.005 . 2 . . . . A 9 GLN HB3 . 30281 1 64 . 1 1 9 9 GLN HG2 H 1 2.264 0.001 . 2 . . . . A 9 GLN HG2 . 30281 1 65 . 1 1 9 9 GLN HG3 H 1 2.256 0.000 . 2 . . . . A 9 GLN HG3 . 30281 1 66 . 1 1 9 9 GLN HE21 H 1 7.494 0.001 . 2 . . . . A 9 GLN HE21 . 30281 1 67 . 1 1 9 9 GLN HE22 H 1 6.852 0.001 . 2 . . . . A 9 GLN HE22 . 30281 1 68 . 1 1 9 9 GLN NE2 N 15 112.477 0.009 . 1 . . . . A 9 GLN NE2 . 30281 1 69 . 1 1 10 10 ALA H H 1 8.260 0.001 . 1 . . . . A 10 ALA H . 30281 1 70 . 1 1 10 10 ALA HA H 1 4.185 0.000 . 1 . . . . A 10 ALA HA . 30281 1 71 . 1 1 10 10 ALA HB1 H 1 1.284 0.001 . 1 . . . . A 10 ALA HB1 . 30281 1 72 . 1 1 10 10 ALA HB2 H 1 1.284 0.001 . 1 . . . . A 10 ALA HB2 . 30281 1 73 . 1 1 10 10 ALA HB3 H 1 1.284 0.001 . 1 . . . . A 10 ALA HB3 . 30281 1 74 . 1 1 10 10 ALA CA C 13 50.443 0.000 . 1 . . . . A 10 ALA CA . 30281 1 75 . 1 1 10 10 ALA N N 15 124.678 0.000 . 1 . . . . A 10 ALA N . 30281 1 76 . 1 1 11 11 TRP H H 1 7.852 0.002 . 1 . . . . A 11 TRP H . 30281 1 77 . 1 1 11 11 TRP HA H 1 4.578 0.003 . 1 . . . . A 11 TRP HA . 30281 1 78 . 1 1 11 11 TRP HB2 H 1 3.205 0.001 . 2 . . . . A 11 TRP HB2 . 30281 1 79 . 1 1 11 11 TRP HB3 H 1 3.205 0.001 . 2 . . . . A 11 TRP HB3 . 30281 1 80 . 1 1 11 11 TRP HD1 H 1 7.136 0.002 . 1 . . . . A 11 TRP HD1 . 30281 1 81 . 1 1 11 11 TRP HE1 H 1 10.137 0.001 . 1 . . . . A 11 TRP HE1 . 30281 1 82 . 1 1 11 11 TRP HE3 H 1 7.529 0.000 . 1 . . . . A 11 TRP HE3 . 30281 1 83 . 1 1 11 11 TRP HZ2 H 1 7.450 0.003 . 1 . . . . A 11 TRP HZ2 . 30281 1 84 . 1 1 11 11 TRP HZ3 H 1 7.131 0.000 . 1 . . . . A 11 TRP HZ3 . 30281 1 85 . 1 1 11 11 TRP HH2 H 1 7.208 0.000 . 1 . . . . A 11 TRP HH2 . 30281 1 86 . 1 1 11 11 TRP N N 15 118.962 0.016 . 1 . . . . A 11 TRP N . 30281 1 87 . 1 1 11 11 TRP NE1 N 15 129.667 0.009 . 1 . . . . A 11 TRP NE1 . 30281 1 88 . 1 1 12 12 PHE H H 1 7.808 0.002 . 1 . . . . A 12 PHE H . 30281 1 89 . 1 1 12 12 PHE HA H 1 4.469 0.002 . 1 . . . . A 12 PHE HA . 30281 1 90 . 1 1 12 12 PHE HB2 H 1 2.949 0.001 . 2 . . . . A 12 PHE HB2 . 30281 1 91 . 1 1 12 12 PHE HB3 H 1 2.847 0.001 . 2 . . . . A 12 PHE HB3 . 30281 1 92 . 1 1 12 12 PHE HD1 H 1 7.116 0.000 . 1 . . . . A 12 PHE HD1 . 30281 1 93 . 1 1 12 12 PHE HD2 H 1 7.116 0.000 . 1 . . . . A 12 PHE HD2 . 30281 1 94 . 1 1 12 12 PHE HE1 H 1 7.288 0.000 . 1 . . . . A 12 PHE HE1 . 30281 1 95 . 1 1 12 12 PHE HE2 H 1 7.288 0.000 . 1 . . . . A 12 PHE HE2 . 30281 1 96 . 1 1 12 12 PHE CA C 13 55.187 0.000 . 1 . . . . A 12 PHE CA . 30281 1 97 . 1 1 12 12 PHE N N 15 121.545 0.008 . 1 . . . . A 12 PHE N . 30281 1 98 . 1 1 13 13 ILE H H 1 7.942 0.003 . 1 . . . . A 13 ILE H . 30281 1 99 . 1 1 13 13 ILE HA H 1 3.995 0.000 . 1 . . . . A 13 ILE HA . 30281 1 100 . 1 1 13 13 ILE HB H 1 1.747 0.000 . 1 . . . . A 13 ILE HB . 30281 1 101 . 1 1 13 13 ILE HG12 H 1 1.427 0.000 . 2 . . . . A 13 ILE HG12 . 30281 1 102 . 1 1 13 13 ILE HG13 H 1 1.110 0.000 . 2 . . . . A 13 ILE HG13 . 30281 1 103 . 1 1 13 13 ILE HG21 H 1 0.842 0.000 . 1 . . . . A 13 ILE HG21 . 30281 1 104 . 1 1 13 13 ILE HG22 H 1 0.842 0.000 . 1 . . . . A 13 ILE HG22 . 30281 1 105 . 1 1 13 13 ILE HG23 H 1 0.842 0.000 . 1 . . . . A 13 ILE HG23 . 30281 1 106 . 1 1 13 13 ILE CA C 13 58.762 0.000 . 1 . . . . A 13 ILE CA . 30281 1 107 . 1 1 13 13 ILE N N 15 123.232 0.009 . 1 . . . . A 13 ILE N . 30281 1 108 . 1 1 15 15 ASN H H 1 8.372 0.001 . 1 . . . . A 15 ASN H . 30281 1 109 . 1 1 15 15 ASN HA H 1 4.624 0.000 . 1 . . . . A 15 ASN HA . 30281 1 110 . 1 1 15 15 ASN HB2 H 1 2.754 0.001 . 2 . . . . A 15 ASN HB2 . 30281 1 111 . 1 1 15 15 ASN HB3 H 1 2.647 0.002 . 2 . . . . A 15 ASN HB3 . 30281 1 112 . 1 1 15 15 ASN HD21 H 1 7.546 0.001 . 2 . . . . A 15 ASN HD21 . 30281 1 113 . 1 1 15 15 ASN HD22 H 1 6.883 0.002 . 2 . . . . A 15 ASN HD22 . 30281 1 114 . 1 1 15 15 ASN CA C 13 51.036 0.000 . 1 . . . . A 15 ASN CA . 30281 1 115 . 1 1 15 15 ASN ND2 N 15 113.296 0.012 . 1 . . . . A 15 ASN ND2 . 30281 1 116 . 1 1 17 17 GLU H H 1 8.457 0.001 . 1 . . . . A 17 GLU H . 30281 1 117 . 1 1 17 17 GLU HA H 1 4.225 0.000 . 1 . . . . A 17 GLU HA . 30281 1 118 . 1 1 17 17 GLU HB2 H 1 1.950 0.000 . 2 . . . . A 17 GLU HB2 . 30281 1 119 . 1 1 17 17 GLU HB3 H 1 2.055 0.000 . 2 . . . . A 17 GLU HB3 . 30281 1 120 . 1 1 17 17 GLU N N 15 121.672 0.000 . 1 . . . . A 17 GLU N . 30281 1 121 . 1 1 18 18 GLN H H 1 8.320 0.000 . 1 . . . . A 18 GLN H . 30281 1 122 . 1 1 18 18 GLN HA H 1 4.252 0.001 . 1 . . . . A 18 GLN HA . 30281 1 123 . 1 1 18 18 GLN HB2 H 1 2.035 0.000 . 2 . . . . A 18 GLN HB2 . 30281 1 124 . 1 1 18 18 GLN HB3 H 1 1.928 0.000 . 2 . . . . A 18 GLN HB3 . 30281 1 125 . 1 1 18 18 GLN HG2 H 1 2.293 0.001 . 2 . . . . A 18 GLN HG2 . 30281 1 126 . 1 1 18 18 GLN HG3 H 1 2.293 0.001 . 2 . . . . A 18 GLN HG3 . 30281 1 127 . 1 1 18 18 GLN HE21 H 1 7.546 0.001 . 2 . . . . A 18 GLN HE21 . 30281 1 128 . 1 1 18 18 GLN HE22 H 1 6.869 0.002 . 2 . . . . A 18 GLN HE22 . 30281 1 129 . 1 1 18 18 GLN CA C 13 53.413 0.000 . 1 . . . . A 18 GLN CA . 30281 1 130 . 1 1 18 18 GLN N N 15 121.143 0.000 . 1 . . . . A 18 GLN N . 30281 1 131 . 1 1 20 20 TYR H H 1 8.296 0.002 . 1 . . . . A 20 TYR H . 30281 1 132 . 1 1 20 20 TYR HA H 1 4.563 0.019 . 1 . . . . A 20 TYR HA . 30281 1 133 . 1 1 20 20 TYR HB2 H 1 2.969 0.000 . 2 . . . . A 20 TYR HB2 . 30281 1 134 . 1 1 20 20 TYR HB3 H 1 2.969 0.000 . 2 . . . . A 20 TYR HB3 . 30281 1 135 . 1 1 20 20 TYR HD1 H 1 7.073 0.000 . 1 . . . . A 20 TYR HD1 . 30281 1 136 . 1 1 20 20 TYR HD2 H 1 7.073 0.000 . 1 . . . . A 20 TYR HD2 . 30281 1 137 . 1 1 20 20 TYR HE1 H 1 6.788 0.000 . 1 . . . . A 20 TYR HE1 . 30281 1 138 . 1 1 20 20 TYR HE2 H 1 6.788 0.000 . 1 . . . . A 20 TYR HE2 . 30281 1 139 . 1 1 20 20 TYR CA C 13 54.624 0.000 . 1 . . . . A 20 TYR CA . 30281 1 140 . 1 1 20 20 TYR N N 15 121.967 0.000 . 1 . . . . A 20 TYR N . 30281 1 141 . 1 1 21 21 VAL H H 1 7.995 0.002 . 1 . . . . A 21 VAL H . 30281 1 142 . 1 1 21 21 VAL HA H 1 3.990 0.002 . 1 . . . . A 21 VAL HA . 30281 1 143 . 1 1 21 21 VAL HB H 1 1.955 0.000 . 1 . . . . A 21 VAL HB . 30281 1 144 . 1 1 21 21 VAL HG11 H 1 0.883 0.000 . 2 . . . . A 21 VAL HG11 . 30281 1 145 . 1 1 21 21 VAL HG12 H 1 0.883 0.000 . 2 . . . . A 21 VAL HG12 . 30281 1 146 . 1 1 21 21 VAL HG13 H 1 0.883 0.000 . 2 . . . . A 21 VAL HG13 . 30281 1 147 . 1 1 21 21 VAL HG21 H 1 0.880 0.000 . 2 . . . . A 21 VAL HG21 . 30281 1 148 . 1 1 21 21 VAL HG22 H 1 0.880 0.000 . 2 . . . . A 21 VAL HG22 . 30281 1 149 . 1 1 21 21 VAL HG23 H 1 0.880 0.000 . 2 . . . . A 21 VAL HG23 . 30281 1 150 . 1 1 21 21 VAL CA C 13 59.417 0.000 . 1 . . . . A 21 VAL CA . 30281 1 151 . 1 1 21 21 VAL N N 15 123.559 0.007 . 1 . . . . A 21 VAL N . 30281 1 152 . 1 1 22 22 GLN H H 1 8.445 0.000 . 1 . . . . A 22 GLN H . 30281 1 153 . 1 1 22 22 GLN HA H 1 4.309 0.000 . 1 . . . . A 22 GLN HA . 30281 1 154 . 1 1 22 22 GLN HB2 H 1 2.068 0.000 . 2 . . . . A 22 GLN HB2 . 30281 1 155 . 1 1 22 22 GLN HB3 H 1 1.957 0.000 . 2 . . . . A 22 GLN HB3 . 30281 1 156 . 1 1 22 22 GLN HG2 H 1 2.356 0.000 . 2 . . . . A 22 GLN HG2 . 30281 1 157 . 1 1 22 22 GLN HG3 H 1 2.356 0.000 . 2 . . . . A 22 GLN HG3 . 30281 1 158 . 1 1 22 22 GLN HE21 H 1 7.616 0.000 . 2 . . . . A 22 GLN HE21 . 30281 1 159 . 1 1 22 22 GLN HE22 H 1 6.921 0.001 . 2 . . . . A 22 GLN HE22 . 30281 1 160 . 1 1 22 22 GLN N N 15 124.696 0.000 . 1 . . . . A 22 GLN N . 30281 1 161 . 1 1 22 22 GLN NE2 N 15 112.839 0.000 . 1 . . . . A 22 GLN NE2 . 30281 1 162 . 1 1 23 23 THR H H 1 8.281 0.000 . 1 . . . . A 23 THR H . 30281 1 163 . 1 1 23 23 THR HA H 1 4.308 0.002 . 1 . . . . A 23 THR HA . 30281 1 164 . 1 1 23 23 THR HB H 1 4.141 0.003 . 1 . . . . A 23 THR HB . 30281 1 165 . 1 1 23 23 THR HG21 H 1 1.184 0.000 . 1 . . . . A 23 THR HG21 . 30281 1 166 . 1 1 23 23 THR HG22 H 1 1.184 0.000 . 1 . . . . A 23 THR HG22 . 30281 1 167 . 1 1 23 23 THR HG23 H 1 1.184 0.000 . 1 . . . . A 23 THR HG23 . 30281 1 168 . 1 1 23 23 THR CA C 13 59.364 0.000 . 1 . . . . A 23 THR CA . 30281 1 169 . 1 1 23 23 THR CB C 13 67.406 0.000 . 1 . . . . A 23 THR CB . 30281 1 170 . 1 1 24 24 VAL H H 1 8.282 0.001 . 1 . . . . A 24 VAL H . 30281 1 171 . 1 1 24 24 VAL HA H 1 4.116 0.000 . 1 . . . . A 24 VAL HA . 30281 1 172 . 1 1 24 24 VAL HB H 1 2.059 0.000 . 1 . . . . A 24 VAL HB . 30281 1 173 . 1 1 24 24 VAL HG11 H 1 0.928 0.000 . 2 . . . . A 24 VAL HG11 . 30281 1 174 . 1 1 24 24 VAL HG12 H 1 0.928 0.000 . 2 . . . . A 24 VAL HG12 . 30281 1 175 . 1 1 24 24 VAL HG13 H 1 0.928 0.000 . 2 . . . . A 24 VAL HG13 . 30281 1 176 . 1 1 24 24 VAL HG21 H 1 0.928 0.000 . 2 . . . . A 24 VAL HG21 . 30281 1 177 . 1 1 24 24 VAL HG22 H 1 0.928 0.000 . 2 . . . . A 24 VAL HG22 . 30281 1 178 . 1 1 24 24 VAL HG23 H 1 0.928 0.000 . 2 . . . . A 24 VAL HG23 . 30281 1 179 . 1 1 25 25 LYS H H 1 8.062 0.000 . 1 . . . . A 25 LYS H . 30281 1 180 . 1 1 25 25 LYS HA H 1 4.160 0.000 . 1 . . . . A 25 LYS HA . 30281 1 stop_ save_