################################### # 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 34671 _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 0.02 _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 3 '2D TOCSY' . . . 34671 1 6 '2D DQF-COSY' . . . 34671 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 34671 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 LYS HA H 1 4.221 0.020 . 1 . . . . A 1 LYS HA . 34671 1 2 . 1 . 1 1 1 LYS HB2 H 1 2.005 0.020 . 1 . . . . A 1 LYS HB2 . 34671 1 3 . 1 . 1 1 1 LYS HB3 H 1 1.788 0.020 . 1 . . . . A 1 LYS HB3 . 34671 1 4 . 1 . 1 1 1 LYS HG2 H 1 1.330 0.020 . 2 . . . . A 1 LYS HG2 . 34671 1 5 . 1 . 1 1 1 LYS HG3 H 1 1.426 0.020 . 2 . . . . A 1 LYS HG3 . 34671 1 6 . 1 . 1 1 1 LYS HD2 H 1 1.548 0.020 . 2 . . . . A 1 LYS HD2 . 34671 1 7 . 1 . 1 1 1 LYS HD3 H 1 1.616 0.020 . 2 . . . . A 1 LYS HD3 . 34671 1 8 . 1 . 1 1 1 LYS HE2 H 1 3.095 0.020 . 2 . . . . A 1 LYS HE2 . 34671 1 9 . 1 . 1 1 1 LYS HE3 H 1 3.095 0.020 . 2 . . . . A 1 LYS HE3 . 34671 1 10 . 1 . 1 2 2 SER H H 1 8.803 0.020 . 1 . . . . A 2 SER H . 34671 1 11 . 1 . 1 2 2 SER HA H 1 5.028 0.020 . 1 . . . . A 2 SER HA . 34671 1 12 . 1 . 1 2 2 SER HB2 H 1 2.885 0.020 . 1 . . . . A 2 SER HB2 . 34671 1 13 . 1 . 1 2 2 SER HB3 H 1 3.717 0.020 . 1 . . . . A 2 SER HB3 . 34671 1 14 . 1 . 1 3 3 CYS H H 1 9.065 0.020 . 1 . . . . A 3 CYS H . 34671 1 15 . 1 . 1 3 3 CYS HA H 1 5.016 0.020 . 1 . . . . A 3 CYS HA . 34671 1 16 . 1 . 1 3 3 CYS HB2 H 1 2.335 0.020 . 1 . . . . A 3 CYS HB2 . 34671 1 17 . 1 . 1 3 3 CYS HB3 H 1 4.396 0.020 . 1 . . . . A 3 CYS HB3 . 34671 1 18 . 1 . 1 4 4 CYS H H 1 9.429 0.020 . 1 . . . . A 4 CYS H . 34671 1 19 . 1 . 1 4 4 CYS HA H 1 5.336 0.020 . 1 . . . . A 4 CYS HA . 34671 1 20 . 1 . 1 4 4 CYS HB2 H 1 2.694 0.020 . 1 . . . . A 4 CYS HB2 . 34671 1 21 . 1 . 1 4 4 CYS HB3 H 1 2.751 0.020 . 1 . . . . A 4 CYS HB3 . 34671 1 22 . 1 . 1 5 5 PRO HA H 1 4.475 0.020 . 1 . . . . A 5 PRO HA . 34671 1 23 . 1 . 1 5 5 PRO HB2 H 1 2.014 0.020 . 2 . . . . A 5 PRO HB2 . 34671 1 24 . 1 . 1 5 5 PRO HB3 H 1 2.014 0.020 . 2 . . . . A 5 PRO HB3 . 34671 1 25 . 1 . 1 5 5 PRO HG2 H 1 2.126 0.020 . 1 . . . . A 5 PRO HG2 . 34671 1 26 . 1 . 1 5 5 PRO HG3 H 1 2.283 0.020 . 1 . . . . A 5 PRO HG3 . 34671 1 27 . 1 . 1 5 5 PRO HD2 H 1 3.821 0.020 . 1 . . . . A 5 PRO HD2 . 34671 1 28 . 1 . 1 5 5 PRO HD3 H 1 4.045 0.020 . 1 . . . . A 5 PRO HD3 . 34671 1 29 . 1 . 1 6 6 ASN H H 1 6.972 0.020 . 1 . . . . A 6 ASN H . 34671 1 30 . 1 . 1 6 6 ASN HA H 1 4.582 0.020 . 1 . . . . A 6 ASN HA . 34671 1 31 . 1 . 1 6 6 ASN HB2 H 1 3.326 0.020 . 2 . . . . A 6 ASN HB2 . 34671 1 32 . 1 . 1 6 6 ASN HB3 H 1 3.326 0.020 . 2 . . . . A 6 ASN HB3 . 34671 1 33 . 1 . 1 6 6 ASN HD21 H 1 7.771 0.020 . 1 . . . . A 6 ASN HD21 . 34671 1 34 . 1 . 1 6 6 ASN HD22 H 1 7.055 0.020 . 1 . . . . A 6 ASN HD22 . 34671 1 35 . 1 . 1 7 7 THR H H 1 8.920 0.020 . 1 . . . . A 7 THR H . 34671 1 36 . 1 . 1 7 7 THR HA H 1 3.931 0.020 . 1 . . . . A 7 THR HA . 34671 1 37 . 1 . 1 7 7 THR HB H 1 4.254 0.020 . 1 . . . . A 7 THR HB . 34671 1 38 . 1 . 1 7 7 THR HG21 H 1 1.347 0.020 . 1 . . . . A 7 THR HG21 . 34671 1 39 . 1 . 1 7 7 THR HG22 H 1 1.347 0.020 . 1 . . . . A 7 THR HG22 . 34671 1 40 . 1 . 1 7 7 THR HG23 H 1 1.347 0.020 . 1 . . . . A 7 THR HG23 . 34671 1 41 . 1 . 1 8 8 THR H H 1 8.205 0.020 . 1 . . . . A 8 THR H . 34671 1 42 . 1 . 1 8 8 THR HA H 1 4.021 0.020 . 1 . . . . A 8 THR HA . 34671 1 43 . 1 . 1 8 8 THR HB H 1 4.076 0.020 . 1 . . . . A 8 THR HB . 34671 1 44 . 1 . 1 8 8 THR HG21 H 1 1.299 0.020 . 1 . . . . A 8 THR HG21 . 34671 1 45 . 1 . 1 8 8 THR HG22 H 1 1.299 0.020 . 1 . . . . A 8 THR HG22 . 34671 1 46 . 1 . 1 8 8 THR HG23 H 1 1.299 0.020 . 1 . . . . A 8 THR HG23 . 34671 1 47 . 1 . 1 9 9 GLY H H 1 8.673 0.020 . 1 . . . . A 9 GLY H . 34671 1 48 . 1 . 1 9 9 GLY HA2 H 1 4.066 0.020 . 1 . . . . A 9 GLY HA2 . 34671 1 49 . 1 . 1 9 9 GLY HA3 H 1 3.643 0.020 . 1 . . . . A 9 GLY HA3 . 34671 1 50 . 1 . 1 10 10 ARG H H 1 7.651 0.020 . 1 . . . . A 10 ARG H . 34671 1 51 . 1 . 1 10 10 ARG HA H 1 4.583 0.020 . 1 . . . . A 10 ARG HA . 34671 1 52 . 1 . 1 10 10 ARG HB2 H 1 1.711 0.020 . 1 . . . . A 10 ARG HB2 . 34671 1 53 . 1 . 1 10 10 ARG HB3 H 1 2.158 0.020 . 1 . . . . A 10 ARG HB3 . 34671 1 54 . 1 . 1 10 10 ARG HG2 H 1 1.716 0.020 . 2 . . . . A 10 ARG HG2 . 34671 1 55 . 1 . 1 10 10 ARG HG3 H 1 1.956 0.020 . 2 . . . . A 10 ARG HG3 . 34671 1 56 . 1 . 1 10 10 ARG HD2 H 1 3.331 0.020 . 2 . . . . A 10 ARG HD2 . 34671 1 57 . 1 . 1 10 10 ARG HD3 H 1 3.539 0.020 . 2 . . . . A 10 ARG HD3 . 34671 1 58 . 1 . 1 10 10 ARG HE H 1 8.852 0.020 . 1 . . . . A 10 ARG HE . 34671 1 59 . 1 . 1 11 11 ASN H H 1 8.528 0.020 . 1 . . . . A 11 ASN H . 34671 1 60 . 1 . 1 11 11 ASN HA H 1 4.627 0.020 . 1 . . . . A 11 ASN HA . 34671 1 61 . 1 . 1 11 11 ASN HB2 H 1 2.603 0.020 . 1 . . . . A 11 ASN HB2 . 34671 1 62 . 1 . 1 11 11 ASN HB3 H 1 3.097 0.020 . 1 . . . . A 11 ASN HB3 . 34671 1 63 . 1 . 1 11 11 ASN HD21 H 1 7.363 0.020 . 1 . . . . A 11 ASN HD21 . 34671 1 64 . 1 . 1 11 11 ASN HD22 H 1 7.019 0.020 . 1 . . . . A 11 ASN HD22 . 34671 1 65 . 1 . 1 12 12 ILE H H 1 8.619 0.020 . 1 . . . . A 12 ILE H . 34671 1 66 . 1 . 1 12 12 ILE HA H 1 3.624 0.020 . 1 . . . . A 12 ILE HA . 34671 1 67 . 1 . 1 12 12 ILE HB H 1 1.910 0.020 . 1 . . . . A 12 ILE HB . 34671 1 68 . 1 . 1 12 12 ILE HG12 H 1 2.090 0.020 . 2 . . . . A 12 ILE HG12 . 34671 1 69 . 1 . 1 12 12 ILE HG13 H 1 0.948 0.020 . 2 . . . . A 12 ILE HG13 . 34671 1 70 . 1 . 1 12 12 ILE HG21 H 1 0.850 0.020 . 1 . . . . A 12 ILE HG21 . 34671 1 71 . 1 . 1 12 12 ILE HG22 H 1 0.850 0.020 . 1 . . . . A 12 ILE HG22 . 34671 1 72 . 1 . 1 12 12 ILE HG23 H 1 0.850 0.020 . 1 . . . . A 12 ILE HG23 . 34671 1 73 . 1 . 1 12 12 ILE HD11 H 1 0.941 0.020 . 1 . . . . A 12 ILE HD11 . 34671 1 74 . 1 . 1 12 12 ILE HD12 H 1 0.941 0.020 . 1 . . . . A 12 ILE HD12 . 34671 1 75 . 1 . 1 12 12 ILE HD13 H 1 0.941 0.020 . 1 . . . . A 12 ILE HD13 . 34671 1 76 . 1 . 1 13 13 TYR H H 1 9.042 0.020 . 1 . . . . A 13 TYR H . 34671 1 77 . 1 . 1 13 13 TYR HA H 1 3.666 0.020 . 1 . . . . A 13 TYR HA . 34671 1 78 . 1 . 1 13 13 TYR HB2 H 1 3.162 0.020 . 2 . . . . A 13 TYR HB2 . 34671 1 79 . 1 . 1 13 13 TYR HB3 H 1 3.162 0.020 . 2 . . . . A 13 TYR HB3 . 34671 1 80 . 1 . 1 13 13 TYR HD1 H 1 6.950 0.020 . 1 . . . . A 13 TYR HD1 . 34671 1 81 . 1 . 1 13 13 TYR HD2 H 1 6.950 0.020 . 1 . . . . A 13 TYR HD2 . 34671 1 82 . 1 . 1 13 13 TYR HE1 H 1 6.809 0.020 . 1 . . . . A 13 TYR HE1 . 34671 1 83 . 1 . 1 13 13 TYR HE2 H 1 6.809 0.020 . 1 . . . . A 13 TYR HE2 . 34671 1 84 . 1 . 1 14 14 ASN H H 1 8.909 0.020 . 1 . . . . A 14 ASN H . 34671 1 85 . 1 . 1 14 14 ASN HA H 1 4.344 0.020 . 1 . . . . A 14 ASN HA . 34671 1 86 . 1 . 1 14 14 ASN HB2 H 1 3.130 0.020 . 1 . . . . A 14 ASN HB2 . 34671 1 87 . 1 . 1 14 14 ASN HB3 H 1 2.856 0.020 . 1 . . . . A 14 ASN HB3 . 34671 1 88 . 1 . 1 14 14 ASN HD21 H 1 7.926 0.020 . 1 . . . . A 14 ASN HD21 . 34671 1 89 . 1 . 1 14 14 ASN HD22 H 1 6.899 0.020 . 1 . . . . A 14 ASN HD22 . 34671 1 90 . 1 . 1 15 15 ALA H H 1 8.289 0.020 . 1 . . . . A 15 ALA H . 34671 1 91 . 1 . 1 15 15 ALA HA H 1 4.050 0.020 . 1 . . . . A 15 ALA HA . 34671 1 92 . 1 . 1 15 15 ALA HB1 H 1 1.494 0.020 . 1 . . . . A 15 ALA HB1 . 34671 1 93 . 1 . 1 15 15 ALA HB2 H 1 1.494 0.020 . 1 . . . . A 15 ALA HB2 . 34671 1 94 . 1 . 1 15 15 ALA HB3 H 1 1.494 0.020 . 1 . . . . A 15 ALA HB3 . 34671 1 95 . 1 . 1 16 16 CYS H H 1 8.479 0.020 . 1 . . . . A 16 CYS H . 34671 1 96 . 1 . 1 16 16 CYS HA H 1 3.971 0.020 . 1 . . . . A 16 CYS HA . 34671 1 97 . 1 . 1 16 16 CYS HB2 H 1 2.868 0.020 . 1 . . . . A 16 CYS HB2 . 34671 1 98 . 1 . 1 16 16 CYS HB3 H 1 3.434 0.020 . 1 . . . . A 16 CYS HB3 . 34671 1 99 . 1 . 1 17 17 ARG H H 1 8.673 0.020 . 1 . . . . A 17 ARG H . 34671 1 100 . 1 . 1 17 17 ARG HA H 1 3.976 0.020 . 1 . . . . A 17 ARG HA . 34671 1 101 . 1 . 1 17 17 ARG HB2 H 1 1.892 0.020 . 1 . . . . A 17 ARG HB2 . 34671 1 102 . 1 . 1 17 17 ARG HB3 H 1 1.770 0.020 . 1 . . . . A 17 ARG HB3 . 34671 1 103 . 1 . 1 17 17 ARG HG2 H 1 1.084 0.020 . 2 . . . . A 17 ARG HG2 . 34671 1 104 . 1 . 1 17 17 ARG HG3 H 1 1.439 0.020 . 2 . . . . A 17 ARG HG3 . 34671 1 105 . 1 . 1 17 17 ARG HD2 H 1 2.693 0.020 . 2 . . . . A 17 ARG HD2 . 34671 1 106 . 1 . 1 17 17 ARG HD3 H 1 3.197 0.020 . 2 . . . . A 17 ARG HD3 . 34671 1 107 . 1 . 1 17 17 ARG HE H 1 7.432 0.020 . 1 . . . . A 17 ARG HE . 34671 1 108 . 1 . 1 18 18 LEU H H 1 7.865 0.020 . 1 . . . . A 18 LEU H . 34671 1 109 . 1 . 1 18 18 LEU HA H 1 4.167 0.020 . 1 . . . . A 18 LEU HA . 34671 1 110 . 1 . 1 18 18 LEU HB2 H 1 2.133 0.020 . 1 . . . . A 18 LEU HB2 . 34671 1 111 . 1 . 1 18 18 LEU HB3 H 1 1.687 0.020 . 1 . . . . A 18 LEU HB3 . 34671 1 112 . 1 . 1 18 18 LEU HG H 1 2.018 0.020 . 1 . . . . A 18 LEU HG . 34671 1 113 . 1 . 1 18 18 LEU HD11 H 1 0.992 0.020 . 1 . . . . A 18 LEU HD11 . 34671 1 114 . 1 . 1 18 18 LEU HD12 H 1 0.992 0.020 . 1 . . . . A 18 LEU HD12 . 34671 1 115 . 1 . 1 18 18 LEU HD13 H 1 0.992 0.020 . 1 . . . . A 18 LEU HD13 . 34671 1 116 . 1 . 1 18 18 LEU HD21 H 1 0.956 0.020 . 1 . . . . A 18 LEU HD21 . 34671 1 117 . 1 . 1 18 18 LEU HD22 H 1 0.956 0.020 . 1 . . . . A 18 LEU HD22 . 34671 1 118 . 1 . 1 18 18 LEU HD23 H 1 0.956 0.020 . 1 . . . . A 18 LEU HD23 . 34671 1 119 . 1 . 1 19 19 THR H H 1 7.407 0.020 . 1 . . . . A 19 THR H . 34671 1 120 . 1 . 1 19 19 THR HA H 1 4.108 0.020 . 1 . . . . A 19 THR HA . 34671 1 121 . 1 . 1 19 19 THR HB H 1 4.407 0.020 . 1 . . . . A 19 THR HB . 34671 1 122 . 1 . 1 19 19 THR HG21 H 1 1.390 0.020 . 1 . . . . A 19 THR HG21 . 34671 1 123 . 1 . 1 19 19 THR HG22 H 1 1.390 0.020 . 1 . . . . A 19 THR HG22 . 34671 1 124 . 1 . 1 19 19 THR HG23 H 1 1.390 0.020 . 1 . . . . A 19 THR HG23 . 34671 1 125 . 1 . 1 20 20 GLY H H 1 7.736 0.020 . 1 . . . . A 20 GLY H . 34671 1 126 . 1 . 1 20 20 GLY HA2 H 1 3.609 0.020 . 1 . . . . A 20 GLY HA2 . 34671 1 127 . 1 . 1 20 20 GLY HA3 H 1 4.343 0.020 . 1 . . . . A 20 GLY HA3 . 34671 1 128 . 1 . 1 21 21 ALA H H 1 7.443 0.020 . 1 . . . . A 21 ALA H . 34671 1 129 . 1 . 1 21 21 ALA HA H 1 4.356 0.020 . 1 . . . . A 21 ALA HA . 34671 1 130 . 1 . 1 21 21 ALA HB1 H 1 1.240 0.020 . 1 . . . . A 21 ALA HB1 . 34671 1 131 . 1 . 1 21 21 ALA HB2 H 1 1.240 0.020 . 1 . . . . A 21 ALA HB2 . 34671 1 132 . 1 . 1 21 21 ALA HB3 H 1 1.240 0.020 . 1 . . . . A 21 ALA HB3 . 34671 1 133 . 1 . 1 22 22 PRO HA H 1 4.467 0.020 . 1 . . . . A 22 PRO HA . 34671 1 134 . 1 . 1 22 22 PRO HB2 H 1 2.012 0.020 . 1 . . . . A 22 PRO HB2 . 34671 1 135 . 1 . 1 22 22 PRO HB3 H 1 2.568 0.020 . 1 . . . . A 22 PRO HB3 . 34671 1 136 . 1 . 1 22 22 PRO HG2 H 1 2.189 0.020 . 2 . . . . A 22 PRO HG2 . 34671 1 137 . 1 . 1 22 22 PRO HG3 H 1 2.189 0.020 . 2 . . . . A 22 PRO HG3 . 34671 1 138 . 1 . 1 22 22 PRO HD2 H 1 3.458 0.020 . 1 . . . . A 22 PRO HD2 . 34671 1 139 . 1 . 1 22 22 PRO HD3 H 1 3.968 0.020 . 1 . . . . A 22 PRO HD3 . 34671 1 140 . 1 . 1 23 23 ARG H H 1 9.081 0.020 . 1 . . . . A 23 ARG H . 34671 1 141 . 1 . 1 23 23 ARG HA H 1 3.906 0.020 . 1 . . . . A 23 ARG HA . 34671 1 142 . 1 . 1 23 23 ARG HB2 H 1 1.937 0.020 . 2 . . . . A 23 ARG HB2 . 34671 1 143 . 1 . 1 23 23 ARG HB3 H 1 1.937 0.020 . 2 . . . . A 23 ARG HB3 . 34671 1 144 . 1 . 1 23 23 ARG HG2 H 1 1.690 0.020 . 2 . . . . A 23 ARG HG2 . 34671 1 145 . 1 . 1 23 23 ARG HG3 H 1 1.690 0.020 . 2 . . . . A 23 ARG HG3 . 34671 1 146 . 1 . 1 23 23 ARG HD2 H 1 3.206 0.020 . 2 . . . . A 23 ARG HD2 . 34671 1 147 . 1 . 1 23 23 ARG HD3 H 1 3.301 0.020 . 2 . . . . A 23 ARG HD3 . 34671 1 148 . 1 . 1 24 24 PRO HA H 1 4.360 0.020 . 1 . . . . A 24 PRO HA . 34671 1 149 . 1 . 1 24 24 PRO HB2 H 1 2.025 0.020 . 1 . . . . A 24 PRO HB2 . 34671 1 150 . 1 . 1 24 24 PRO HB3 H 1 2.426 0.020 . 1 . . . . A 24 PRO HB3 . 34671 1 151 . 1 . 1 24 24 PRO HG2 H 1 2.020 0.020 . 1 . . . . A 24 PRO HG2 . 34671 1 152 . 1 . 1 24 24 PRO HG3 H 1 2.172 0.020 . 1 . . . . A 24 PRO HG3 . 34671 1 153 . 1 . 1 24 24 PRO HD2 H 1 3.723 0.020 . 1 . . . . A 24 PRO HD2 . 34671 1 154 . 1 . 1 24 24 PRO HD3 H 1 3.862 0.020 . 1 . . . . A 24 PRO HD3 . 34671 1 155 . 1 . 1 25 25 THR H H 1 6.907 0.020 . 1 . . . . A 25 THR H . 34671 1 156 . 1 . 1 25 25 THR HA H 1 4.000 0.020 . 1 . . . . A 25 THR HA . 34671 1 157 . 1 . 1 25 25 THR HB H 1 4.173 0.020 . 1 . . . . A 25 THR HB . 34671 1 158 . 1 . 1 25 25 THR HG21 H 1 1.208 0.020 . 1 . . . . A 25 THR HG21 . 34671 1 159 . 1 . 1 25 25 THR HG22 H 1 1.208 0.020 . 1 . . . . A 25 THR HG22 . 34671 1 160 . 1 . 1 25 25 THR HG23 H 1 1.208 0.020 . 1 . . . . A 25 THR HG23 . 34671 1 161 . 1 . 1 26 26 CYS H H 1 7.974 0.020 . 1 . . . . A 26 CYS H . 34671 1 162 . 1 . 1 26 26 CYS HA H 1 4.691 0.020 . 1 . . . . A 26 CYS HA . 34671 1 163 . 1 . 1 26 26 CYS HB2 H 1 2.369 0.020 . 1 . . . . A 26 CYS HB2 . 34671 1 164 . 1 . 1 26 26 CYS HB3 H 1 2.755 0.020 . 1 . . . . A 26 CYS HB3 . 34671 1 165 . 1 . 1 27 27 ALA H H 1 9.455 0.020 . 1 . . . . A 27 ALA H . 34671 1 166 . 1 . 1 27 27 ALA HA H 1 3.990 0.020 . 1 . . . . A 27 ALA HA . 34671 1 167 . 1 . 1 27 27 ALA HB1 H 1 1.538 0.020 . 1 . . . . A 27 ALA HB1 . 34671 1 168 . 1 . 1 27 27 ALA HB2 H 1 1.538 0.020 . 1 . . . . A 27 ALA HB2 . 34671 1 169 . 1 . 1 27 27 ALA HB3 H 1 1.538 0.020 . 1 . . . . A 27 ALA HB3 . 34671 1 170 . 1 . 1 28 28 LYS H H 1 7.687 0.020 . 1 . . . . A 28 LYS H . 34671 1 171 . 1 . 1 28 28 LYS HA H 1 4.148 0.020 . 1 . . . . A 28 LYS HA . 34671 1 172 . 1 . 1 28 28 LYS HB2 H 1 2.072 0.020 . 1 . . . . A 28 LYS HB2 . 34671 1 173 . 1 . 1 28 28 LYS HB3 H 1 1.621 0.020 . 1 . . . . A 28 LYS HB3 . 34671 1 174 . 1 . 1 28 28 LYS HG2 H 1 2.072 0.020 . 2 . . . . A 28 LYS HG2 . 34671 1 175 . 1 . 1 28 28 LYS HG3 H 1 1.534 0.020 . 2 . . . . A 28 LYS HG3 . 34671 1 176 . 1 . 1 28 28 LYS HD2 H 1 1.774 0.020 . 2 . . . . A 28 LYS HD2 . 34671 1 177 . 1 . 1 28 28 LYS HD3 H 1 1.774 0.020 . 2 . . . . A 28 LYS HD3 . 34671 1 178 . 1 . 1 28 28 LYS HE2 H 1 3.015 0.020 . 2 . . . . A 28 LYS HE2 . 34671 1 179 . 1 . 1 28 28 LYS HE3 H 1 3.015 0.020 . 2 . . . . A 28 LYS HE3 . 34671 1 180 . 1 . 1 29 29 LEU H H 1 7.807 0.020 . 1 . . . . A 29 LEU H . 34671 1 181 . 1 . 1 29 29 LEU HA H 1 4.133 0.020 . 1 . . . . A 29 LEU HA . 34671 1 182 . 1 . 1 29 29 LEU HB2 H 1 1.734 0.020 . 1 . . . . A 29 LEU HB2 . 34671 1 183 . 1 . 1 29 29 LEU HB3 H 1 1.604 0.020 . 1 . . . . A 29 LEU HB3 . 34671 1 184 . 1 . 1 29 29 LEU HG H 1 1.914 0.020 . 1 . . . . A 29 LEU HG . 34671 1 185 . 1 . 1 29 29 LEU HD11 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD11 . 34671 1 186 . 1 . 1 29 29 LEU HD12 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD12 . 34671 1 187 . 1 . 1 29 29 LEU HD13 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD13 . 34671 1 188 . 1 . 1 29 29 LEU HD21 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD21 . 34671 1 189 . 1 . 1 29 29 LEU HD22 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD22 . 34671 1 190 . 1 . 1 29 29 LEU HD23 H 1 0.907 0.020 . 2 . . . . A 29 LEU HD23 . 34671 1 191 . 1 . 1 30 30 SER H H 1 7.486 0.020 . 1 . . . . A 30 SER H . 34671 1 192 . 1 . 1 30 30 SER HA H 1 4.295 0.020 . 1 . . . . A 30 SER HA . 34671 1 193 . 1 . 1 30 30 SER HB2 H 1 4.794 0.020 . 1 . . . . A 30 SER HB2 . 34671 1 194 . 1 . 1 30 30 SER HB3 H 1 3.795 0.020 . 1 . . . . A 30 SER HB3 . 34671 1 195 . 1 . 1 30 30 SER HG H 1 5.678 0.020 . 1 . . . . A 30 SER HG . 34671 1 196 . 1 . 1 31 31 GLY H H 1 8.014 0.020 . 1 . . . . A 31 GLY H . 34671 1 197 . 1 . 1 31 31 GLY HA2 H 1 3.988 0.020 . 1 . . . . A 31 GLY HA2 . 34671 1 198 . 1 . 1 31 31 GLY HA3 H 1 4.359 0.020 . 1 . . . . A 31 GLY HA3 . 34671 1 199 . 1 . 1 32 32 CYS H H 1 8.074 0.020 . 1 . . . . A 32 CYS H . 34671 1 200 . 1 . 1 32 32 CYS HA H 1 5.011 0.020 . 1 . . . . A 32 CYS HA . 34671 1 201 . 1 . 1 32 32 CYS HB2 H 1 3.028 0.020 . 1 . . . . A 32 CYS HB2 . 34671 1 202 . 1 . 1 32 32 CYS HB3 H 1 2.441 0.020 . 1 . . . . A 32 CYS HB3 . 34671 1 203 . 1 . 1 33 33 LYS H H 1 9.001 0.020 . 1 . . . . A 33 LYS H . 34671 1 204 . 1 . 1 33 33 LYS HA H 1 4.527 0.020 . 1 . . . . A 33 LYS HA . 34671 1 205 . 1 . 1 33 33 LYS HB2 H 1 1.079 0.020 . 1 . . . . A 33 LYS HB2 . 34671 1 206 . 1 . 1 33 33 LYS HB3 H 1 1.311 0.020 . 1 . . . . A 33 LYS HB3 . 34671 1 207 . 1 . 1 33 33 LYS HG2 H 1 0.774 0.020 . 2 . . . . A 33 LYS HG2 . 34671 1 208 . 1 . 1 33 33 LYS HG3 H 1 0.774 0.020 . 2 . . . . A 33 LYS HG3 . 34671 1 209 . 1 . 1 33 33 LYS HD2 H 1 0.902 0.020 . 2 . . . . A 33 LYS HD2 . 34671 1 210 . 1 . 1 33 33 LYS HD3 H 1 1.117 0.020 . 2 . . . . A 33 LYS HD3 . 34671 1 211 . 1 . 1 33 33 LYS HE2 H 1 2.443 0.020 . 2 . . . . A 33 LYS HE2 . 34671 1 212 . 1 . 1 33 33 LYS HE3 H 1 2.512 0.020 . 2 . . . . A 33 LYS HE3 . 34671 1 213 . 1 . 1 34 34 ILE H H 1 8.463 0.020 . 1 . . . . A 34 ILE H . 34671 1 214 . 1 . 1 34 34 ILE HA H 1 4.571 0.020 . 1 . . . . A 34 ILE HA . 34671 1 215 . 1 . 1 34 34 ILE HB H 1 1.882 0.020 . 1 . . . . A 34 ILE HB . 34671 1 216 . 1 . 1 34 34 ILE HG12 H 1 1.283 0.020 . 2 . . . . A 34 ILE HG12 . 34671 1 217 . 1 . 1 34 34 ILE HG13 H 1 1.170 0.020 . 2 . . . . A 34 ILE HG13 . 34671 1 218 . 1 . 1 34 34 ILE HG21 H 1 0.756 0.020 . 1 . . . . A 34 ILE HG21 . 34671 1 219 . 1 . 1 34 34 ILE HG22 H 1 0.756 0.020 . 1 . . . . A 34 ILE HG22 . 34671 1 220 . 1 . 1 34 34 ILE HG23 H 1 0.756 0.020 . 1 . . . . A 34 ILE HG23 . 34671 1 221 . 1 . 1 34 34 ILE HD11 H 1 0.680 0.020 . 1 . . . . A 34 ILE HD11 . 34671 1 222 . 1 . 1 34 34 ILE HD12 H 1 0.680 0.020 . 1 . . . . A 34 ILE HD12 . 34671 1 223 . 1 . 1 34 34 ILE HD13 H 1 0.680 0.020 . 1 . . . . A 34 ILE HD13 . 34671 1 224 . 1 . 1 35 35 ILE H H 1 8.673 0.020 . 1 . . . . A 35 ILE H . 34671 1 225 . 1 . 1 35 35 ILE HA H 1 4.760 0.020 . 1 . . . . A 35 ILE HA . 34671 1 226 . 1 . 1 35 35 ILE HB H 1 2.017 0.020 . 1 . . . . A 35 ILE HB . 34671 1 227 . 1 . 1 35 35 ILE HG12 H 1 1.310 0.020 . 2 . . . . A 35 ILE HG12 . 34671 1 228 . 1 . 1 35 35 ILE HG13 H 1 1.025 0.020 . 2 . . . . A 35 ILE HG13 . 34671 1 229 . 1 . 1 35 35 ILE HG21 H 1 0.772 0.020 . 1 . . . . A 35 ILE HG21 . 34671 1 230 . 1 . 1 35 35 ILE HG22 H 1 0.772 0.020 . 1 . . . . A 35 ILE HG22 . 34671 1 231 . 1 . 1 35 35 ILE HG23 H 1 0.772 0.020 . 1 . . . . A 35 ILE HG23 . 34671 1 232 . 1 . 1 35 35 ILE HD11 H 1 0.622 0.020 . 1 . . . . A 35 ILE HD11 . 34671 1 233 . 1 . 1 35 35 ILE HD12 H 1 0.622 0.020 . 1 . . . . A 35 ILE HD12 . 34671 1 234 . 1 . 1 35 35 ILE HD13 H 1 0.622 0.020 . 1 . . . . A 35 ILE HD13 . 34671 1 235 . 1 . 1 36 36 SER H H 1 8.655 0.020 . 1 . . . . A 36 SER H . 34671 1 236 . 1 . 1 36 36 SER HA H 1 4.577 0.020 . 1 . . . . A 36 SER HA . 34671 1 237 . 1 . 1 36 36 SER HB2 H 1 3.897 0.020 . 2 . . . . A 36 SER HB2 . 34671 1 238 . 1 . 1 36 36 SER HB3 H 1 3.897 0.020 . 2 . . . . A 36 SER HB3 . 34671 1 239 . 1 . 1 37 37 GLY H H 1 7.702 0.020 . 1 . . . . A 37 GLY H . 34671 1 240 . 1 . 1 37 37 GLY HA2 H 1 4.077 0.020 . 1 . . . . A 37 GLY HA2 . 34671 1 241 . 1 . 1 37 37 GLY HA3 H 1 4.218 0.020 . 1 . . . . A 37 GLY HA3 . 34671 1 242 . 1 . 1 38 38 SER H H 1 8.243 0.020 . 1 . . . . A 38 SER H . 34671 1 243 . 1 . 1 38 38 SER HA H 1 4.534 0.020 . 1 . . . . A 38 SER HA . 34671 1 244 . 1 . 1 38 38 SER HB2 H 1 3.956 0.020 . 1 . . . . A 38 SER HB2 . 34671 1 245 . 1 . 1 38 38 SER HB3 H 1 3.897 0.020 . 1 . . . . A 38 SER HB3 . 34671 1 246 . 1 . 1 39 39 THR H H 1 7.816 0.020 . 1 . . . . A 39 THR H . 34671 1 247 . 1 . 1 39 39 THR HA H 1 4.519 0.020 . 1 . . . . A 39 THR HA . 34671 1 248 . 1 . 1 39 39 THR HB H 1 3.938 0.020 . 1 . . . . A 39 THR HB . 34671 1 249 . 1 . 1 39 39 THR HG21 H 1 1.197 0.020 . 1 . . . . A 39 THR HG21 . 34671 1 250 . 1 . 1 39 39 THR HG22 H 1 1.197 0.020 . 1 . . . . A 39 THR HG22 . 34671 1 251 . 1 . 1 39 39 THR HG23 H 1 1.197 0.020 . 1 . . . . A 39 THR HG23 . 34671 1 252 . 1 . 1 40 40 CYS H H 1 8.992 0.020 . 1 . . . . A 40 CYS H . 34671 1 253 . 1 . 1 40 40 CYS HA H 1 4.852 0.020 . 1 . . . . A 40 CYS HA . 34671 1 254 . 1 . 1 40 40 CYS HB2 H 1 2.655 0.020 . 1 . . . . A 40 CYS HB2 . 34671 1 255 . 1 . 1 40 40 CYS HB3 H 1 3.720 0.020 . 1 . . . . A 40 CYS HB3 . 34671 1 256 . 1 . 1 41 41 PRO HA H 1 4.693 0.020 . 1 . . . . A 41 PRO HA . 34671 1 257 . 1 . 1 41 41 PRO HB2 H 1 2.359 0.020 . 1 . . . . A 41 PRO HB2 . 34671 1 258 . 1 . 1 41 41 PRO HB3 H 1 2.486 0.020 . 1 . . . . A 41 PRO HB3 . 34671 1 259 . 1 . 1 41 41 PRO HG2 H 1 2.023 0.020 . 1 . . . . A 41 PRO HG2 . 34671 1 260 . 1 . 1 41 41 PRO HG3 H 1 2.180 0.020 . 1 . . . . A 41 PRO HG3 . 34671 1 261 . 1 . 1 41 41 PRO HD2 H 1 3.663 0.020 . 1 . . . . A 41 PRO HD2 . 34671 1 262 . 1 . 1 41 41 PRO HD3 H 1 3.868 0.020 . 1 . . . . A 41 PRO HD3 . 34671 1 263 . 1 . 1 42 42 SER H H 1 8.744 0.020 . 1 . . . . A 42 SER H . 34671 1 264 . 1 . 1 42 42 SER HA H 1 4.050 0.020 . 1 . . . . A 42 SER HA . 34671 1 265 . 1 . 1 42 42 SER HB2 H 1 3.939 0.020 . 2 . . . . A 42 SER HB2 . 34671 1 266 . 1 . 1 42 42 SER HB3 H 1 3.939 0.020 . 2 . . . . A 42 SER HB3 . 34671 1 267 . 1 . 1 43 43 ASP H H 1 8.890 0.020 . 1 . . . . A 43 ASP H . 34671 1 268 . 1 . 1 43 43 ASP HA H 1 4.496 0.020 . 1 . . . . A 43 ASP HA . 34671 1 269 . 1 . 1 43 43 ASP HB2 H 1 2.691 0.020 . 2 . . . . A 43 ASP HB2 . 34671 1 270 . 1 . 1 43 43 ASP HB3 H 1 2.644 0.020 . 2 . . . . A 43 ASP HB3 . 34671 1 271 . 1 . 1 44 44 TYR H H 1 7.716 0.020 . 1 . . . . A 44 TYR H . 34671 1 272 . 1 . 1 44 44 TYR HA H 1 4.405 0.020 . 1 . . . . A 44 TYR HA . 34671 1 273 . 1 . 1 44 44 TYR HB2 H 1 2.384 0.020 . 1 . . . . A 44 TYR HB2 . 34671 1 274 . 1 . 1 44 44 TYR HB3 H 1 2.487 0.020 . 1 . . . . A 44 TYR HB3 . 34671 1 275 . 1 . 1 44 44 TYR HD1 H 1 6.845 0.020 . 1 . . . . A 44 TYR HD1 . 34671 1 276 . 1 . 1 44 44 TYR HD2 H 1 6.845 0.020 . 1 . . . . A 44 TYR HD2 . 34671 1 277 . 1 . 1 44 44 TYR HE1 H 1 6.946 0.020 . 1 . . . . A 44 TYR HE1 . 34671 1 278 . 1 . 1 44 44 TYR HE2 H 1 6.946 0.020 . 1 . . . . A 44 TYR HE2 . 34671 1 279 . 1 . 1 45 45 PRO HA H 1 4.575 0.020 . 1 . . . . A 45 PRO HA . 34671 1 280 . 1 . 1 45 45 PRO HB2 H 1 2.083 0.020 . 2 . . . . A 45 PRO HB2 . 34671 1 281 . 1 . 1 45 45 PRO HB3 H 1 2.083 0.020 . 2 . . . . A 45 PRO HB3 . 34671 1 282 . 1 . 1 45 45 PRO HG2 H 1 1.688 0.020 . 2 . . . . A 45 PRO HG2 . 34671 1 283 . 1 . 1 45 45 PRO HG3 H 1 1.688 0.020 . 2 . . . . A 45 PRO HG3 . 34671 1 284 . 1 . 1 45 45 PRO HD2 H 1 3.422 0.020 . 2 . . . . A 45 PRO HD2 . 34671 1 285 . 1 . 1 45 45 PRO HD3 H 1 3.422 0.020 . 2 . . . . A 45 PRO HD3 . 34671 1 286 . 1 . 1 46 46 LYS H H 1 8.328 0.020 . 1 . . . . A 46 LYS H . 34671 1 287 . 1 . 1 46 46 LYS HA H 1 4.362 0.020 . 1 . . . . A 46 LYS HA . 34671 1 288 . 1 . 1 46 46 LYS HB2 H 1 1.184 0.020 . 2 . . . . A 46 LYS HB2 . 34671 1 289 . 1 . 1 46 46 LYS HB3 H 1 1.184 0.020 . 2 . . . . A 46 LYS HB3 . 34671 1 290 . 1 . 1 46 46 LYS HG2 H 1 1.784 0.020 . 2 . . . . A 46 LYS HG2 . 34671 1 291 . 1 . 1 46 46 LYS HG3 H 1 1.784 0.020 . 2 . . . . A 46 LYS HG3 . 34671 1 292 . 1 . 1 46 46 LYS HD2 H 1 1.503 0.020 . 2 . . . . A 46 LYS HD2 . 34671 1 293 . 1 . 1 46 46 LYS HD3 H 1 1.628 0.020 . 2 . . . . A 46 LYS HD3 . 34671 1 294 . 1 . 1 46 46 LYS HE2 H 1 2.938 0.020 . 2 . . . . A 46 LYS HE2 . 34671 1 295 . 1 . 1 46 46 LYS HE3 H 1 3.024 0.020 . 2 . . . . A 46 LYS HE3 . 34671 1 stop_ save_