################################### # 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 34212 _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' . . . 34212 1 2 '2D TOCSY' . . . 34212 1 3 '2D 1H-13C HSQC' . . . 34212 1 4 '2D NOESY' . . . 34212 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 HA2 H 1 3.799 0.000 . . . . . . A 1 GLY HA2 . 34212 1 2 . 1 1 1 1 GLY HA3 H 1 3.799 0.000 . . . . . . A 1 GLY HA3 . 34212 1 3 . 1 1 1 1 GLY CA C 13 40.527 0.000 . . . . . . A 1 GLY CA . 34212 1 4 . 1 1 2 2 TYR H H 1 8.521 0.000 . . . . . . A 2 TYR H . 34212 1 5 . 1 1 2 2 TYR HA H 1 4.644 0.000 . . . . . . A 2 TYR HA . 34212 1 6 . 1 1 2 2 TYR HB2 H 1 3.001 0.000 . . . . . . A 2 TYR HB2 . 34212 1 7 . 1 1 2 2 TYR HB3 H 1 2.932 0.000 . . . . . . A 2 TYR HB3 . 34212 1 8 . 1 1 2 2 TYR HD1 H 1 7.084 0.000 . . . . . . A 2 TYR HD1 . 34212 1 9 . 1 1 2 2 TYR HD2 H 1 7.084 0.000 . . . . . . A 2 TYR HD2 . 34212 1 10 . 1 1 2 2 TYR HE1 H 1 6.786 0.000 . . . . . . A 2 TYR HE1 . 34212 1 11 . 1 1 2 2 TYR HE2 H 1 6.786 0.000 . . . . . . A 2 TYR HE2 . 34212 1 12 . 1 1 2 2 TYR CB C 13 36.470 0.000 . . . . . . A 2 TYR CB . 34212 1 13 . 1 1 3 3 CYS H H 1 7.612 0.000 . . . . . . A 3 CYS H . 34212 1 14 . 1 1 3 3 CYS HA H 1 4.709 0.000 . . . . . . A 3 CYS HA . 34212 1 15 . 1 1 3 3 CYS HB2 H 1 2.808 0.000 . . . . . . A 3 CYS HB2 . 34212 1 16 . 1 1 3 3 CYS HB3 H 1 2.889 0.000 . . . . . . A 3 CYS HB3 . 34212 1 17 . 1 1 3 3 CYS CB C 13 40.945 0.000 . . . . . . A 3 CYS CB . 34212 1 18 . 1 1 4 4 ALA H H 1 8.645 0.000 . . . . . . A 4 ALA H . 34212 1 19 . 1 1 4 4 ALA HA H 1 4.394 0.000 . . . . . . A 4 ALA HA . 34212 1 20 . 1 1 4 4 ALA HB1 H 1 1.217 0.000 . . . . . . A 4 ALA HB1 . 34212 1 21 . 1 1 4 4 ALA HB2 H 1 1.217 0.000 . . . . . . A 4 ALA HB2 . 34212 1 22 . 1 1 4 4 ALA HB3 H 1 1.217 0.000 . . . . . . A 4 ALA HB3 . 34212 1 23 . 1 1 4 4 ALA CA C 13 49.008 0.000 . . . . . . A 4 ALA CA . 34212 1 24 . 1 1 4 4 ALA CB C 13 17.873 0.000 . . . . . . A 4 ALA CB . 34212 1 25 . 1 1 5 5 THR H H 1 6.867 0.000 . . . . . . A 5 THR H . 34212 1 26 . 1 1 5 5 THR HA H 1 4.069 0.000 . . . . . . A 5 THR HA . 34212 1 27 . 1 1 5 5 THR HB H 1 4.511 0.000 . . . . . . A 5 THR HB . 34212 1 28 . 1 1 5 5 THR HG21 H 1 1.224 0.000 . . . . . . A 5 THR HG21 . 34212 1 29 . 1 1 5 5 THR HG22 H 1 1.224 0.000 . . . . . . A 5 THR HG22 . 34212 1 30 . 1 1 5 5 THR HG23 H 1 1.224 0.000 . . . . . . A 5 THR HG23 . 34212 1 31 . 1 1 5 5 THR CA C 13 58.781 0.000 . . . . . . A 5 THR CA . 34212 1 32 . 1 1 5 5 THR CB C 13 66.490 0.000 . . . . . . A 5 THR CB . 34212 1 33 . 1 1 5 5 THR CG2 C 13 19.669 0.000 . . . . . . A 5 THR CG2 . 34212 1 34 . 1 1 6 6 LYS H H 1 8.108 0.000 . . . . . . A 6 LYS H . 34212 1 35 . 1 1 6 6 LYS HA H 1 3.521 0.000 . . . . . . A 6 LYS HA . 34212 1 36 . 1 1 6 6 LYS HB2 H 1 1.728 0.000 . . . . . . A 6 LYS HB2 . 34212 1 37 . 1 1 6 6 LYS HB3 H 1 1.728 0.000 . . . . . . A 6 LYS HB3 . 34212 1 38 . 1 1 6 6 LYS HG2 H 1 1.376 0.000 . . . . . . A 6 LYS HG2 . 34212 1 39 . 1 1 6 6 LYS HG3 H 1 1.376 0.000 . . . . . . A 6 LYS HG3 . 34212 1 40 . 1 1 6 6 LYS HD2 H 1 1.626 0.000 . . . . . . A 6 LYS HD2 . 34212 1 41 . 1 1 6 6 LYS HD3 H 1 1.626 0.000 . . . . . . A 6 LYS HD3 . 34212 1 42 . 1 1 6 6 LYS HE2 H 1 2.966 0.000 . . . . . . A 6 LYS HE2 . 34212 1 43 . 1 1 6 6 LYS HE3 H 1 2.966 0.000 . . . . . . A 6 LYS HE3 . 34212 1 44 . 1 1 6 6 LYS HZ1 H 1 7.574 0.000 . . . . . . A 6 LYS HZ1 . 34212 1 45 . 1 1 6 6 LYS HZ2 H 1 7.574 0.000 . . . . . . A 6 LYS HZ2 . 34212 1 46 . 1 1 6 6 LYS HZ3 H 1 7.574 0.000 . . . . . . A 6 LYS HZ3 . 34212 1 47 . 1 1 6 6 LYS CA C 13 56.471 0.000 . . . . . . A 6 LYS CA . 34212 1 48 . 1 1 6 6 LYS CB C 13 29.566 0.000 . . . . . . A 6 LYS CB . 34212 1 49 . 1 1 6 6 LYS CG C 13 21.922 0.000 . . . . . . A 6 LYS CG . 34212 1 50 . 1 1 7 7 GLY H H 1 9.385 0.000 . . . . . . A 7 GLY H . 34212 1 51 . 1 1 7 7 GLY HA2 H 1 4.237 0.000 . . . . . . A 7 GLY HA2 . 34212 1 52 . 1 1 7 7 GLY HA3 H 1 3.445 0.000 . . . . . . A 7 GLY HA3 . 34212 1 53 . 1 1 7 7 GLY CA C 13 42.564 0.000 . . . . . . A 7 GLY CA . 34212 1 54 . 1 1 8 8 ILE H H 1 7.735 0.000 . . . . . . A 8 ILE H . 34212 1 55 . 1 1 8 8 ILE HA H 1 4.237 0.000 . . . . . . A 8 ILE HA . 34212 1 56 . 1 1 8 8 ILE HB H 1 2.206 0.000 . . . . . . A 8 ILE HB . 34212 1 57 . 1 1 8 8 ILE HG12 H 1 1.274 0.000 . . . . . . A 8 ILE HG12 . 34212 1 58 . 1 1 8 8 ILE HG13 H 1 1.203 0.000 . . . . . . A 8 ILE HG13 . 34212 1 59 . 1 1 8 8 ILE HG21 H 1 1.139 0.000 . . . . . . A 8 ILE HG21 . 34212 1 60 . 1 1 8 8 ILE HG22 H 1 1.139 0.000 . . . . . . A 8 ILE HG22 . 34212 1 61 . 1 1 8 8 ILE HG23 H 1 1.139 0.000 . . . . . . A 8 ILE HG23 . 34212 1 62 . 1 1 8 8 ILE HD11 H 1 0.722 0.000 . . . . . . A 8 ILE HD11 . 34212 1 63 . 1 1 8 8 ILE HD12 H 1 0.722 0.000 . . . . . . A 8 ILE HD12 . 34212 1 64 . 1 1 8 8 ILE HD13 H 1 0.722 0.000 . . . . . . A 8 ILE HD13 . 34212 1 65 . 1 1 8 8 ILE CA C 13 55.315 0.000 . . . . . . A 8 ILE CA . 34212 1 66 . 1 1 8 8 ILE CB C 13 33.045 0.000 . . . . . . A 8 ILE CB . 34212 1 67 . 1 1 8 8 ILE CG1 C 13 25.034 0.000 . . . . . . A 8 ILE CG1 . 34212 1 68 . 1 1 8 8 ILE CG2 C 13 14.488 0.000 . . . . . . A 8 ILE CG2 . 34212 1 69 . 1 1 8 8 ILE CD1 C 13 6.785 0.000 . . . . . . A 8 ILE CD1 . 34212 1 70 . 1 1 9 9 LYS H H 1 7.992 0.000 . . . . . . A 9 LYS H . 34212 1 71 . 1 1 9 9 LYS HA H 1 4.786 0.000 . . . . . . A 9 LYS HA . 34212 1 72 . 1 1 9 9 LYS HB2 H 1 2.033 0.000 . . . . . . A 9 LYS HB2 . 34212 1 73 . 1 1 9 9 LYS HB3 H 1 1.886 0.000 . . . . . . A 9 LYS HB3 . 34212 1 74 . 1 1 9 9 LYS HG2 H 1 1.728 0.000 . . . . . . A 9 LYS HG2 . 34212 1 75 . 1 1 9 9 LYS HG3 H 1 1.573 0.000 . . . . . . A 9 LYS HG3 . 34212 1 76 . 1 1 9 9 LYS HD2 H 1 1.749 0.000 . . . . . . A 9 LYS HD2 . 34212 1 77 . 1 1 9 9 LYS HD3 H 1 1.749 0.000 . . . . . . A 9 LYS HD3 . 34212 1 78 . 1 1 9 9 LYS HE2 H 1 3.022 0.000 . . . . . . A 9 LYS HE2 . 34212 1 79 . 1 1 9 9 LYS HE3 H 1 3.022 0.000 . . . . . . A 9 LYS HE3 . 34212 1 80 . 1 1 9 9 LYS HZ1 H 1 7.473 0.000 . . . . . . A 9 LYS HZ1 . 34212 1 81 . 1 1 9 9 LYS HZ2 H 1 7.473 0.000 . . . . . . A 9 LYS HZ2 . 34212 1 82 . 1 1 9 9 LYS HZ3 H 1 7.473 0.000 . . . . . . A 9 LYS HZ3 . 34212 1 83 . 1 1 9 9 LYS CA C 13 54.920 0.000 . . . . . . A 9 LYS CA . 34212 1 84 . 1 1 9 9 LYS CB C 13 30.310 0.000 . . . . . . A 9 LYS CB . 34212 1 85 . 1 1 9 9 LYS CG C 13 22.259 0.000 . . . . . . A 9 LYS CG . 34212 1 86 . 1 1 9 9 LYS CD C 13 26.467 0.000 . . . . . . A 9 LYS CD . 34212 1 87 . 1 1 9 9 LYS CE C 13 39.241 0.000 . . . . . . A 9 LYS CE . 34212 1 88 . 1 1 10 10 CYS H H 1 8.150 0.000 . . . . . . A 10 CYS H . 34212 1 89 . 1 1 10 10 CYS HA H 1 5.296 0.000 . . . . . . A 10 CYS HA . 34212 1 90 . 1 1 10 10 CYS HB2 H 1 3.714 0.000 . . . . . . A 10 CYS HB2 . 34212 1 91 . 1 1 10 10 CYS HB3 H 1 2.919 0.000 . . . . . . A 10 CYS HB3 . 34212 1 92 . 1 1 10 10 CYS CA C 13 52.016 0.000 . . . . . . A 10 CYS CA . 34212 1 93 . 1 1 10 10 CYS CB C 13 40.806 0.000 . . . . . . A 10 CYS CB . 34212 1 94 . 1 1 11 11 ASN H H 1 8.230 0.000 . . . . . . A 11 ASN H . 34212 1 95 . 1 1 11 11 ASN HA H 1 4.337 0.000 . . . . . . A 11 ASN HA . 34212 1 96 . 1 1 11 11 ASN HB2 H 1 2.679 0.000 . . . . . . A 11 ASN HB2 . 34212 1 97 . 1 1 11 11 ASN HB3 H 1 2.679 0.000 . . . . . . A 11 ASN HB3 . 34212 1 98 . 1 1 11 11 ASN HD21 H 1 7.730 0.000 . . . . . . A 11 ASN HD21 . 34212 1 99 . 1 1 11 11 ASN HD22 H 1 6.919 0.000 . . . . . . A 11 ASN HD22 . 34212 1 100 . 1 1 11 11 ASN CA C 13 53.677 0.000 . . . . . . A 11 ASN CA . 34212 1 101 . 1 1 11 11 ASN CB C 13 35.049 0.000 . . . . . . A 11 ASN CB . 34212 1 102 . 1 1 12 12 ASP H H 1 8.360 0.000 . . . . . . A 12 ASP H . 34212 1 103 . 1 1 12 12 ASP HA H 1 4.801 0.000 . . . . . . A 12 ASP HA . 34212 1 104 . 1 1 12 12 ASP HB2 H 1 2.795 0.000 . . . . . . A 12 ASP HB2 . 34212 1 105 . 1 1 12 12 ASP HB3 H 1 2.769 0.000 . . . . . . A 12 ASP HB3 . 34212 1 106 . 1 1 12 12 ASP CA C 13 50.192 0.000 . . . . . . A 12 ASP CA . 34212 1 107 . 1 1 12 12 ASP CB C 13 36.783 0.000 . . . . . . A 12 ASP CB . 34212 1 108 . 1 1 13 13 ILE H H 1 7.206 0.000 . . . . . . A 13 ILE H . 34212 1 109 . 1 1 13 13 ILE HA H 1 4.267 0.000 . . . . . . A 13 ILE HA . 34212 1 110 . 1 1 13 13 ILE HB H 1 1.740 0.000 . . . . . . A 13 ILE HB . 34212 1 111 . 1 1 13 13 ILE HG12 H 1 1.153 0.000 . . . . . . A 13 ILE HG12 . 34212 1 112 . 1 1 13 13 ILE HG13 H 1 1.431 0.000 . . . . . . A 13 ILE HG13 . 34212 1 113 . 1 1 13 13 ILE HG21 H 1 0.852 0.000 . . . . . . A 13 ILE HG21 . 34212 1 114 . 1 1 13 13 ILE HG22 H 1 0.852 0.000 . . . . . . A 13 ILE HG22 . 34212 1 115 . 1 1 13 13 ILE HG23 H 1 0.852 0.000 . . . . . . A 13 ILE HG23 . 34212 1 116 . 1 1 13 13 ILE HD11 H 1 0.759 0.000 . . . . . . A 13 ILE HD11 . 34212 1 117 . 1 1 13 13 ILE HD12 H 1 0.759 0.000 . . . . . . A 13 ILE HD12 . 34212 1 118 . 1 1 13 13 ILE HD13 H 1 0.759 0.000 . . . . . . A 13 ILE HD13 . 34212 1 119 . 1 1 13 13 ILE CA C 13 56.955 0.000 . . . . . . A 13 ILE CA . 34212 1 120 . 1 1 13 13 ILE CB C 13 37.876 0.000 . . . . . . A 13 ILE CB . 34212 1 121 . 1 1 13 13 ILE CG1 C 13 24.596 0.000 . . . . . . A 13 ILE CG1 . 34212 1 122 . 1 1 13 13 ILE CG2 C 13 14.728 0.000 . . . . . . A 13 ILE CG2 . 34212 1 123 . 1 1 13 13 ILE CD1 C 13 10.903 0.000 . . . . . . A 13 ILE CD1 . 34212 1 124 . 1 1 14 14 HIS H H 1 8.148 0.000 . . . . . . A 14 HIS H . 34212 1 125 . 1 1 14 14 HIS HA H 1 4.716 0.000 . . . . . . A 14 HIS HA . 34212 1 126 . 1 1 14 14 HIS HB2 H 1 3.217 0.000 . . . . . . A 14 HIS HB2 . 34212 1 127 . 1 1 14 14 HIS HB3 H 1 3.217 0.000 . . . . . . A 14 HIS HB3 . 34212 1 128 . 1 1 14 14 HIS HD2 H 1 7.325 0.000 . . . . . . A 14 HIS HD2 . 34212 1 129 . 1 1 14 14 HIS HE1 H 1 8.588 0.000 . . . . . . A 14 HIS HE1 . 34212 1 130 . 1 1 14 14 HIS CA C 13 55.549 0.000 . . . . . . A 14 HIS CA . 34212 1 131 . 1 1 14 14 HIS CB C 13 26.446 0.000 . . . . . . A 14 HIS CB . 34212 1 132 . 1 1 15 15 CYS H H 1 9.132 0.000 . . . . . . A 15 CYS H . 34212 1 133 . 1 1 15 15 CYS HA H 1 5.073 0.000 . . . . . . A 15 CYS HA . 34212 1 134 . 1 1 15 15 CYS HB2 H 1 3.084 0.000 . . . . . . A 15 CYS HB2 . 34212 1 135 . 1 1 15 15 CYS HB3 H 1 2.454 0.000 . . . . . . A 15 CYS HB3 . 34212 1 136 . 1 1 15 15 CYS CA C 13 53.043 0.000 . . . . . . A 15 CYS CA . 34212 1 137 . 1 1 15 15 CYS CB C 13 37.855 0.000 . . . . . . A 15 CYS CB . 34212 1 138 . 1 1 16 16 CYS H H 1 9.234 0.000 . . . . . . A 16 CYS H . 34212 1 139 . 1 1 16 16 CYS HA H 1 4.507 0.000 . . . . . . A 16 CYS HA . 34212 1 140 . 1 1 16 16 CYS HB2 H 1 3.389 0.000 . . . . . . A 16 CYS HB2 . 34212 1 141 . 1 1 16 16 CYS HB3 H 1 2.437 0.000 . . . . . . A 16 CYS HB3 . 34212 1 142 . 1 1 16 16 CYS CA C 13 51.284 0.000 . . . . . . A 16 CYS CA . 34212 1 143 . 1 1 16 16 CYS CB C 13 37.411 0.000 . . . . . . A 16 CYS CB . 34212 1 144 . 1 1 17 17 SER H H 1 8.238 0.000 . . . . . . A 17 SER H . 34212 1 145 . 1 1 17 17 SER HA H 1 4.188 0.000 . . . . . . A 17 SER HA . 34212 1 146 . 1 1 17 17 SER HB2 H 1 3.825 0.000 . . . . . . A 17 SER HB2 . 34212 1 147 . 1 1 17 17 SER HB3 H 1 3.825 0.000 . . . . . . A 17 SER HB3 . 34212 1 148 . 1 1 17 17 SER CA C 13 57.556 0.000 . . . . . . A 17 SER CA . 34212 1 149 . 1 1 17 17 SER CB C 13 60.426 0.000 . . . . . . A 17 SER CB . 34212 1 150 . 1 1 18 18 GLY H H 1 8.829 0.000 . . . . . . A 18 GLY H . 34212 1 151 . 1 1 18 18 GLY HA2 H 1 4.257 0.000 . . . . . . A 18 GLY HA2 . 34212 1 152 . 1 1 18 18 GLY HA3 H 1 3.657 0.000 . . . . . . A 18 GLY HA3 . 34212 1 153 . 1 1 18 18 GLY CA C 13 42.261 0.000 . . . . . . A 18 GLY CA . 34212 1 154 . 1 1 19 19 LEU H H 1 7.776 0.000 . . . . . . A 19 LEU H . 34212 1 155 . 1 1 19 19 LEU HA H 1 5.084 0.000 . . . . . . A 19 LEU HA . 34212 1 156 . 1 1 19 19 LEU HB2 H 1 2.102 0.000 . . . . . . A 19 LEU HB2 . 34212 1 157 . 1 1 19 19 LEU HB3 H 1 1.223 0.000 . . . . . . A 19 LEU HB3 . 34212 1 158 . 1 1 19 19 LEU HG H 1 1.375 0.000 . . . . . . A 19 LEU HG . 34212 1 159 . 1 1 19 19 LEU HD11 H 1 0.767 0.000 . . . . . . A 19 LEU HD11 . 34212 1 160 . 1 1 19 19 LEU HD12 H 1 0.767 0.000 . . . . . . A 19 LEU HD12 . 34212 1 161 . 1 1 19 19 LEU HD13 H 1 0.767 0.000 . . . . . . A 19 LEU HD13 . 34212 1 162 . 1 1 19 19 LEU HD21 H 1 0.643 0.000 . . . . . . A 19 LEU HD21 . 34212 1 163 . 1 1 19 19 LEU HD22 H 1 0.643 0.000 . . . . . . A 19 LEU HD22 . 34212 1 164 . 1 1 19 19 LEU HD23 H 1 0.643 0.000 . . . . . . A 19 LEU HD23 . 34212 1 165 . 1 1 19 19 LEU CA C 13 50.238 0.000 . . . . . . A 19 LEU CA . 34212 1 166 . 1 1 19 19 LEU CB C 13 42.260 0.000 . . . . . . A 19 LEU CB . 34212 1 167 . 1 1 19 19 LEU CG C 13 24.031 0.000 . . . . . . A 19 LEU CG . 34212 1 168 . 1 1 19 19 LEU CD1 C 13 24.182 0.000 . . . . . . A 19 LEU CD1 . 34212 1 169 . 1 1 19 19 LEU CD2 C 13 20.210 0.000 . . . . . . A 19 LEU CD2 . 34212 1 170 . 1 1 20 20 LYS H H 1 9.351 0.000 . . . . . . A 20 LYS H . 34212 1 171 . 1 1 20 20 LYS HA H 1 4.588 0.000 . . . . . . A 20 LYS HA . 34212 1 172 . 1 1 20 20 LYS HB2 H 1 1.630 0.000 . . . . . . A 20 LYS HB2 . 34212 1 173 . 1 1 20 20 LYS HB3 H 1 1.630 0.000 . . . . . . A 20 LYS HB3 . 34212 1 174 . 1 1 20 20 LYS HG2 H 1 1.180 0.000 . . . . . . A 20 LYS HG2 . 34212 1 175 . 1 1 20 20 LYS HG3 H 1 1.180 0.000 . . . . . . A 20 LYS HG3 . 34212 1 176 . 1 1 20 20 LYS HE2 H 1 2.931 0.000 . . . . . . A 20 LYS HE2 . 34212 1 177 . 1 1 20 20 LYS HE3 H 1 2.931 0.000 . . . . . . A 20 LYS HE3 . 34212 1 178 . 1 1 20 20 LYS HZ1 H 1 7.521 0.000 . . . . . . A 20 LYS HZ1 . 34212 1 179 . 1 1 20 20 LYS HZ2 H 1 7.521 0.000 . . . . . . A 20 LYS HZ2 . 34212 1 180 . 1 1 20 20 LYS HZ3 H 1 7.521 0.000 . . . . . . A 20 LYS HZ3 . 34212 1 181 . 1 1 20 20 LYS CG C 13 21.632 0.000 . . . . . . A 20 LYS CG . 34212 1 182 . 1 1 20 20 LYS CE C 13 39.447 0.000 . . . . . . A 20 LYS CE . 34212 1 183 . 1 1 21 21 CYS H H 1 8.984 0.000 . . . . . . A 21 CYS H . 34212 1 184 . 1 1 21 21 CYS HA H 1 4.694 0.000 . . . . . . A 21 CYS HA . 34212 1 185 . 1 1 21 21 CYS HB2 H 1 3.200 0.000 . . . . . . A 21 CYS HB2 . 34212 1 186 . 1 1 21 21 CYS HB3 H 1 2.879 0.000 . . . . . . A 21 CYS HB3 . 34212 1 187 . 1 1 21 21 CYS CB C 13 35.683 0.000 . . . . . . A 21 CYS CB . 34212 1 188 . 1 1 22 22 ASP H H 1 8.468 0.000 . . . . . . A 22 ASP H . 34212 1 189 . 1 1 22 22 ASP HA H 1 4.389 0.000 . . . . . . A 22 ASP HA . 34212 1 190 . 1 1 22 22 ASP HB2 H 1 2.891 0.000 . . . . . . A 22 ASP HB2 . 34212 1 191 . 1 1 22 22 ASP HB3 H 1 2.623 0.000 . . . . . . A 22 ASP HB3 . 34212 1 192 . 1 1 22 22 ASP CA C 13 53.279 0.000 . . . . . . A 22 ASP CA . 34212 1 193 . 1 1 22 22 ASP CB C 13 41.624 0.000 . . . . . . A 22 ASP CB . 34212 1 194 . 1 1 23 23 SER H H 1 8.819 0.000 . . . . . . A 23 SER H . 34212 1 195 . 1 1 23 23 SER HA H 1 4.057 0.000 . . . . . . A 23 SER HA . 34212 1 196 . 1 1 23 23 SER HB2 H 1 3.923 0.000 . . . . . . A 23 SER HB2 . 34212 1 197 . 1 1 23 23 SER HB3 H 1 3.923 0.000 . . . . . . A 23 SER HB3 . 34212 1 198 . 1 1 23 23 SER CA C 13 57.462 0.000 . . . . . . A 23 SER CA . 34212 1 199 . 1 1 23 23 SER CB C 13 60.519 0.000 . . . . . . A 23 SER CB . 34212 1 200 . 1 1 24 24 LYS H H 1 7.910 0.000 . . . . . . A 24 LYS H . 34212 1 201 . 1 1 24 24 LYS HA H 1 4.361 0.000 . . . . . . A 24 LYS HA . 34212 1 202 . 1 1 24 24 LYS HB2 H 1 1.875 0.000 . . . . . . A 24 LYS HB2 . 34212 1 203 . 1 1 24 24 LYS HB3 H 1 1.875 0.000 . . . . . . A 24 LYS HB3 . 34212 1 204 . 1 1 24 24 LYS HG2 H 1 1.461 0.000 . . . . . . A 24 LYS HG2 . 34212 1 205 . 1 1 24 24 LYS HG3 H 1 1.345 0.000 . . . . . . A 24 LYS HG3 . 34212 1 206 . 1 1 24 24 LYS HD2 H 1 1.666 0.000 . . . . . . A 24 LYS HD2 . 34212 1 207 . 1 1 24 24 LYS HD3 H 1 1.666 0.000 . . . . . . A 24 LYS HD3 . 34212 1 208 . 1 1 24 24 LYS HE2 H 1 2.963 0.000 . . . . . . A 24 LYS HE2 . 34212 1 209 . 1 1 24 24 LYS HE3 H 1 2.963 0.000 . . . . . . A 24 LYS HE3 . 34212 1 210 . 1 1 24 24 LYS HZ1 H 1 7.488 0.000 . . . . . . A 24 LYS HZ1 . 34212 1 211 . 1 1 24 24 LYS HZ2 H 1 7.488 0.000 . . . . . . A 24 LYS HZ2 . 34212 1 212 . 1 1 24 24 LYS HZ3 H 1 7.488 0.000 . . . . . . A 24 LYS HZ3 . 34212 1 213 . 1 1 24 24 LYS CA C 13 55.216 0.000 . . . . . . A 24 LYS CA . 34212 1 214 . 1 1 24 24 LYS CB C 13 30.592 0.000 . . . . . . A 24 LYS CB . 34212 1 215 . 1 1 24 24 LYS CG C 13 22.394 0.000 . . . . . . A 24 LYS CG . 34212 1 216 . 1 1 24 24 LYS CD C 13 26.137 0.000 . . . . . . A 24 LYS CD . 34212 1 217 . 1 1 25 25 ARG H H 1 9.059 0.000 . . . . . . A 25 ARG H . 34212 1 218 . 1 1 25 25 ARG HA H 1 4.183 0.000 . . . . . . A 25 ARG HA . 34212 1 219 . 1 1 25 25 ARG HB2 H 1 1.495 0.000 . . . . . . A 25 ARG HB2 . 34212 1 220 . 1 1 25 25 ARG HB3 H 1 1.961 0.000 . . . . . . A 25 ARG HB3 . 34212 1 221 . 1 1 25 25 ARG HG2 H 1 1.644 0.000 . . . . . . A 25 ARG HG2 . 34212 1 222 . 1 1 25 25 ARG HG3 H 1 1.644 0.000 . . . . . . A 25 ARG HG3 . 34212 1 223 . 1 1 25 25 ARG HD2 H 1 3.152 0.000 . . . . . . A 25 ARG HD2 . 34212 1 224 . 1 1 25 25 ARG HD3 H 1 3.087 0.000 . . . . . . A 25 ARG HD3 . 34212 1 225 . 1 1 25 25 ARG HE H 1 7.068 0.000 . . . . . . A 25 ARG HE . 34212 1 226 . 1 1 25 25 ARG CA C 13 54.089 0.000 . . . . . . A 25 ARG CA . 34212 1 227 . 1 1 25 25 ARG CB C 13 29.592 0.000 . . . . . . A 25 ARG CB . 34212 1 228 . 1 1 25 25 ARG CD C 13 40.916 0.000 . . . . . . A 25 ARG CD . 34212 1 229 . 1 1 26 26 LYS H H 1 8.302 0.000 . . . . . . A 26 LYS H . 34212 1 230 . 1 1 26 26 LYS HA H 1 4.006 0.000 . . . . . . A 26 LYS HA . 34212 1 231 . 1 1 26 26 LYS HB2 H 1 1.994 0.000 . . . . . . A 26 LYS HB2 . 34212 1 232 . 1 1 26 26 LYS HB3 H 1 1.650 0.000 . . . . . . A 26 LYS HB3 . 34212 1 233 . 1 1 26 26 LYS HG2 H 1 1.302 0.000 . . . . . . A 26 LYS HG2 . 34212 1 234 . 1 1 26 26 LYS HG3 H 1 1.205 0.000 . . . . . . A 26 LYS HG3 . 34212 1 235 . 1 1 26 26 LYS HD2 H 1 1.442 0.000 . . . . . . A 26 LYS HD2 . 34212 1 236 . 1 1 26 26 LYS HD3 H 1 1.442 0.000 . . . . . . A 26 LYS HD3 . 34212 1 237 . 1 1 26 26 LYS HE2 H 1 2.972 0.000 . . . . . . A 26 LYS HE2 . 34212 1 238 . 1 1 26 26 LYS HE3 H 1 2.972 0.000 . . . . . . A 26 LYS HE3 . 34212 1 239 . 1 1 26 26 LYS HZ1 H 1 7.481 0.000 . . . . . . A 26 LYS HZ1 . 34212 1 240 . 1 1 26 26 LYS HZ2 H 1 7.481 0.000 . . . . . . A 26 LYS HZ2 . 34212 1 241 . 1 1 26 26 LYS HZ3 H 1 7.481 0.000 . . . . . . A 26 LYS HZ3 . 34212 1 242 . 1 1 26 26 LYS CA C 13 53.659 0.000 . . . . . . A 26 LYS CA . 34212 1 243 . 1 1 26 26 LYS CB C 13 26.465 0.000 . . . . . . A 26 LYS CB . 34212 1 244 . 1 1 26 26 LYS CG C 13 21.930 0.000 . . . . . . A 26 LYS CG . 34212 1 245 . 1 1 26 26 LYS CD C 13 26.296 0.000 . . . . . . A 26 LYS CD . 34212 1 246 . 1 1 27 27 VAL H H 1 6.544 0.000 . . . . . . A 27 VAL H . 34212 1 247 . 1 1 27 27 VAL HA H 1 4.880 0.000 . . . . . . A 27 VAL HA . 34212 1 248 . 1 1 27 27 VAL HB H 1 1.514 0.000 . . . . . . A 27 VAL HB . 34212 1 249 . 1 1 27 27 VAL HG11 H 1 0.736 0.000 . . . . . . A 27 VAL HG11 . 34212 1 250 . 1 1 27 27 VAL HG12 H 1 0.736 0.000 . . . . . . A 27 VAL HG12 . 34212 1 251 . 1 1 27 27 VAL HG13 H 1 0.736 0.000 . . . . . . A 27 VAL HG13 . 34212 1 252 . 1 1 27 27 VAL HG21 H 1 0.593 0.000 . . . . . . A 27 VAL HG21 . 34212 1 253 . 1 1 27 27 VAL HG22 H 1 0.593 0.000 . . . . . . A 27 VAL HG22 . 34212 1 254 . 1 1 27 27 VAL HG23 H 1 0.593 0.000 . . . . . . A 27 VAL HG23 . 34212 1 255 . 1 1 27 27 VAL CA C 13 56.164 0.000 . . . . . . A 27 VAL CA . 34212 1 256 . 1 1 27 27 VAL CB C 13 33.685 0.000 . . . . . . A 27 VAL CB . 34212 1 257 . 1 1 27 27 VAL CG1 C 13 18.627 0.000 . . . . . . A 27 VAL CG1 . 34212 1 258 . 1 1 27 27 VAL CG2 C 13 15.629 0.000 . . . . . . A 27 VAL CG2 . 34212 1 259 . 1 1 28 28 CYS H H 1 8.037 0.000 . . . . . . A 28 CYS H . 34212 1 260 . 1 1 28 28 CYS HA H 1 5.156 0.000 . . . . . . A 28 CYS HA . 34212 1 261 . 1 1 28 28 CYS HB2 H 1 3.154 0.000 . . . . . . A 28 CYS HB2 . 34212 1 262 . 1 1 28 28 CYS HB3 H 1 2.644 0.000 . . . . . . A 28 CYS HB3 . 34212 1 263 . 1 1 28 28 CYS CA C 13 53.337 0.000 . . . . . . A 28 CYS CA . 34212 1 264 . 1 1 28 28 CYS CB C 13 37.939 0.000 . . . . . . A 28 CYS CB . 34212 1 265 . 1 1 29 29 VAL H H 1 9.719 0.000 . . . . . . A 29 VAL H . 34212 1 266 . 1 1 29 29 VAL HA H 1 4.663 0.000 . . . . . . A 29 VAL HA . 34212 1 267 . 1 1 29 29 VAL HB H 1 2.340 0.000 . . . . . . A 29 VAL HB . 34212 1 268 . 1 1 29 29 VAL HG11 H 1 0.958 0.000 . . . . . . A 29 VAL HG11 . 34212 1 269 . 1 1 29 29 VAL HG12 H 1 0.958 0.000 . . . . . . A 29 VAL HG12 . 34212 1 270 . 1 1 29 29 VAL HG13 H 1 0.958 0.000 . . . . . . A 29 VAL HG13 . 34212 1 271 . 1 1 29 29 VAL HG21 H 1 0.897 0.000 . . . . . . A 29 VAL HG21 . 34212 1 272 . 1 1 29 29 VAL HG22 H 1 0.897 0.000 . . . . . . A 29 VAL HG22 . 34212 1 273 . 1 1 29 29 VAL HG23 H 1 0.897 0.000 . . . . . . A 29 VAL HG23 . 34212 1 274 . 1 1 29 29 VAL CB C 13 33.181 0.000 . . . . . . A 29 VAL CB . 34212 1 275 . 1 1 29 29 VAL CG1 C 13 18.665 0.000 . . . . . . A 29 VAL CG1 . 34212 1 276 . 1 1 29 29 VAL CG2 C 13 15.829 0.000 . . . . . . A 29 VAL CG2 . 34212 1 277 . 1 1 30 30 LYS H H 1 8.615 0.000 . . . . . . A 30 LYS H . 34212 1 278 . 1 1 30 30 LYS HA H 1 4.227 0.000 . . . . . . A 30 LYS HA . 34212 1 279 . 1 1 30 30 LYS HB2 H 1 1.825 0.000 . . . . . . A 30 LYS HB2 . 34212 1 280 . 1 1 30 30 LYS HB3 H 1 1.698 0.000 . . . . . . A 30 LYS HB3 . 34212 1 281 . 1 1 30 30 LYS HG2 H 1 1.495 0.000 . . . . . . A 30 LYS HG2 . 34212 1 282 . 1 1 30 30 LYS HG3 H 1 1.495 0.000 . . . . . . A 30 LYS HG3 . 34212 1 283 . 1 1 30 30 LYS HE2 H 1 2.988 0.000 . . . . . . A 30 LYS HE2 . 34212 1 284 . 1 1 30 30 LYS HE3 H 1 2.988 0.000 . . . . . . A 30 LYS HE3 . 34212 1 285 . 1 1 30 30 LYS CA C 13 55.314 0.000 . . . . . . A 30 LYS CA . 34212 1 286 . 1 1 30 30 LYS CB C 13 30.103 0.000 . . . . . . A 30 LYS CB . 34212 1 287 . 1 1 30 30 LYS CG C 13 22.089 0.000 . . . . . . A 30 LYS CG . 34212 1 288 . 1 1 31 31 GLY H H 1 8.172 0.000 . . . . . . A 31 GLY H . 34212 1 289 . 1 1 31 31 GLY HA2 H 1 3.864 0.000 . . . . . . A 31 GLY HA2 . 34212 1 290 . 1 1 31 31 GLY HA3 H 1 3.718 0.000 . . . . . . A 31 GLY HA3 . 34212 1 291 . 1 1 31 31 GLY CA C 13 42.243 0.000 . . . . . . A 31 GLY CA . 34212 1 stop_ save_