################################### # 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 30879 _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 . _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 NOESY' . . . 30879 1 2 '2D 1H-1H TOCSY' . . . 30879 1 3 '2D 1H-1H COSY' . . . 30879 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 GLY HA2 H 1 3.978 0.020 . . . . . . A 1 GLY HA2 . 30879 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.896 0.020 . . . . . . A 1 GLY HA3 . 30879 1 3 . 1 . 1 2 2 TRP H H 1 8.487 0.020 . . . . . . A 2 TRP H . 30879 1 4 . 1 . 1 2 2 TRP HA H 1 4.762 0.020 . . . . . . A 2 TRP HA . 30879 1 5 . 1 . 1 2 2 TRP HB2 H 1 3.379 0.020 . . . . . . A 2 TRP HB2 . 30879 1 6 . 1 . 1 2 2 TRP HB3 H 1 3.379 0.020 . . . . . . A 2 TRP HB3 . 30879 1 7 . 1 . 1 2 2 TRP HD1 H 1 7.331 0.020 . . . . . . A 2 TRP HD1 . 30879 1 8 . 1 . 1 3 3 ILE H H 1 7.779 0.020 . . . . . . A 3 ILE H . 30879 1 9 . 1 . 1 3 3 ILE HA H 1 3.918 0.020 . . . . . . A 3 ILE HA . 30879 1 10 . 1 . 1 3 3 ILE HB H 1 1.702 0.020 . . . . . . A 3 ILE HB . 30879 1 11 . 1 . 1 3 3 ILE HG12 H 1 1.005 0.020 . . . . . . A 3 ILE HG12 . 30879 1 12 . 1 . 1 3 3 ILE HG13 H 1 1.302 0.020 . . . . . . A 3 ILE HG13 . 30879 1 13 . 1 . 1 3 3 ILE HG21 H 1 0.857 0.020 . . . . . . A 3 ILE HG21 . 30879 1 14 . 1 . 1 3 3 ILE HG22 H 1 0.857 0.020 . . . . . . A 3 ILE HG22 . 30879 1 15 . 1 . 1 3 3 ILE HG23 H 1 0.857 0.020 . . . . . . A 3 ILE HG23 . 30879 1 16 . 1 . 1 3 3 ILE HD11 H 1 0.834 0.020 . . . . . . A 3 ILE HD11 . 30879 1 17 . 1 . 1 3 3 ILE HD12 H 1 0.834 0.020 . . . . . . A 3 ILE HD12 . 30879 1 18 . 1 . 1 3 3 ILE HD13 H 1 0.834 0.020 . . . . . . A 3 ILE HD13 . 30879 1 19 . 1 . 1 4 4 ASN H H 1 7.764 0.020 . . . . . . A 4 ASN H . 30879 1 20 . 1 . 1 4 4 ASN HA H 1 4.571 0.020 . . . . . . A 4 ASN HA . 30879 1 21 . 1 . 1 4 4 ASN HB2 H 1 2.909 0.020 . . . . . . A 4 ASN HB2 . 30879 1 22 . 1 . 1 4 4 ASN HB3 H 1 2.795 0.020 . . . . . . A 4 ASN HB3 . 30879 1 23 . 1 . 1 4 4 ASN HD21 H 1 7.534 0.020 . . . . . . A 4 ASN HD21 . 30879 1 24 . 1 . 1 4 4 ASN HD22 H 1 6.872 0.020 . . . . . . A 4 ASN HD22 . 30879 1 25 . 1 . 1 5 5 GLU H H 1 8.132 0.020 . . . . . . A 5 GLU H . 30879 1 26 . 1 . 1 5 5 GLU HA H 1 4.088 0.020 . . . . . . A 5 GLU HA . 30879 1 27 . 1 . 1 5 5 GLU HB2 H 1 2.190 0.020 . . . . . . A 5 GLU HB2 . 30879 1 28 . 1 . 1 5 5 GLU HB3 H 1 2.190 0.020 . . . . . . A 5 GLU HB3 . 30879 1 29 . 1 . 1 5 5 GLU HG2 H 1 2.526 0.020 . . . . . . A 5 GLU HG2 . 30879 1 30 . 1 . 1 5 5 GLU HG3 H 1 2.526 0.020 . . . . . . A 5 GLU HG3 . 30879 1 31 . 1 . 1 6 6 GLU H H 1 8.293 0.020 . . . . . . A 6 GLU H . 30879 1 32 . 1 . 1 6 6 GLU HA H 1 4.109 0.020 . . . . . . A 6 GLU HA . 30879 1 33 . 1 . 1 6 6 GLU HB2 H 1 2.168 0.020 . . . . . . A 6 GLU HB2 . 30879 1 34 . 1 . 1 6 6 GLU HB3 H 1 2.168 0.020 . . . . . . A 6 GLU HB3 . 30879 1 35 . 1 . 1 6 6 GLU HG2 H 1 2.518 0.020 . . . . . . A 6 GLU HG2 . 30879 1 36 . 1 . 1 6 6 GLU HG3 H 1 2.472 0.020 . . . . . . A 6 GLU HG3 . 30879 1 37 . 1 . 1 7 7 LYS H H 1 7.917 0.020 . . . . . . A 7 LYS H . 30879 1 38 . 1 . 1 7 7 LYS HA H 1 4.040 0.020 . . . . . . A 7 LYS HA . 30879 1 39 . 1 . 1 7 7 LYS HB2 H 1 1.981 0.020 . . . . . . A 7 LYS HB2 . 30879 1 40 . 1 . 1 7 7 LYS HB3 H 1 1.981 0.020 . . . . . . A 7 LYS HB3 . 30879 1 41 . 1 . 1 7 7 LYS HG2 H 1 1.473 0.020 . . . . . . A 7 LYS HG2 . 30879 1 42 . 1 . 1 7 7 LYS HG3 H 1 1.473 0.020 . . . . . . A 7 LYS HG3 . 30879 1 43 . 1 . 1 7 7 LYS HD2 H 1 1.708 0.020 . . . . . . A 7 LYS HD2 . 30879 1 44 . 1 . 1 7 7 LYS HD3 H 1 1.708 0.020 . . . . . . A 7 LYS HD3 . 30879 1 45 . 1 . 1 7 7 LYS HE2 H 1 2.993 0.020 . . . . . . A 7 LYS HE2 . 30879 1 46 . 1 . 1 7 7 LYS HE3 H 1 2.993 0.020 . . . . . . A 7 LYS HE3 . 30879 1 47 . 1 . 1 8 8 ILE H H 1 7.678 0.020 . . . . . . A 8 ILE H . 30879 1 48 . 1 . 1 8 8 ILE HA H 1 3.825 0.020 . . . . . . A 8 ILE HA . 30879 1 49 . 1 . 1 8 8 ILE HB H 1 2.001 0.020 . . . . . . A 8 ILE HB . 30879 1 50 . 1 . 1 8 8 ILE HG12 H 1 1.242 0.020 . . . . . . A 8 ILE HG12 . 30879 1 51 . 1 . 1 8 8 ILE HG13 H 1 1.242 0.020 . . . . . . A 8 ILE HG13 . 30879 1 52 . 1 . 1 8 8 ILE HG21 H 1 0.990 0.020 . . . . . . A 8 ILE HG21 . 30879 1 53 . 1 . 1 8 8 ILE HG22 H 1 0.990 0.020 . . . . . . A 8 ILE HG22 . 30879 1 54 . 1 . 1 8 8 ILE HG23 H 1 0.990 0.020 . . . . . . A 8 ILE HG23 . 30879 1 55 . 1 . 1 8 8 ILE HD11 H 1 0.890 0.020 . . . . . . A 8 ILE HD11 . 30879 1 56 . 1 . 1 8 8 ILE HD12 H 1 0.890 0.020 . . . . . . A 8 ILE HD12 . 30879 1 57 . 1 . 1 8 8 ILE HD13 H 1 0.890 0.020 . . . . . . A 8 ILE HD13 . 30879 1 58 . 1 . 1 9 9 GLN H H 1 8.247 0.020 . . . . . . A 9 GLN H . 30879 1 59 . 1 . 1 9 9 GLN HA H 1 3.958 0.020 . . . . . . A 9 GLN HA . 30879 1 60 . 1 . 1 9 9 GLN HB2 H 1 2.228 0.020 . . . . . . A 9 GLN HB2 . 30879 1 61 . 1 . 1 9 9 GLN HB3 H 1 2.228 0.020 . . . . . . A 9 GLN HB3 . 30879 1 62 . 1 . 1 9 9 GLN HG2 H 1 2.521 0.020 . . . . . . A 9 GLN HG2 . 30879 1 63 . 1 . 1 9 9 GLN HG3 H 1 2.429 0.020 . . . . . . A 9 GLN HG3 . 30879 1 64 . 1 . 1 9 9 GLN HE21 H 1 7.187 0.020 . . . . . . A 9 GLN HE21 . 30879 1 65 . 1 . 1 9 9 GLN HE22 H 1 6.602 0.020 . . . . . . A 9 GLN HE22 . 30879 1 66 . 1 . 1 10 10 LYS H H 1 8.071 0.020 . . . . . . A 10 LYS H . 30879 1 67 . 1 . 1 10 10 LYS HA H 1 4.148 0.020 . . . . . . A 10 LYS HA . 30879 1 68 . 1 . 1 10 10 LYS HB2 H 1 2.011 0.020 . . . . . . A 10 LYS HB2 . 30879 1 69 . 1 . 1 10 10 LYS HB3 H 1 1.785 0.020 . . . . . . A 10 LYS HB3 . 30879 1 70 . 1 . 1 10 10 LYS HG2 H 1 1.578 0.020 . . . . . . A 10 LYS HG2 . 30879 1 71 . 1 . 1 10 10 LYS HG3 H 1 1.578 0.020 . . . . . . A 10 LYS HG3 . 30879 1 72 . 1 . 1 10 10 LYS HD2 H 1 1.651 0.020 . . . . . . A 10 LYS HD2 . 30879 1 73 . 1 . 1 10 10 LYS HD3 H 1 1.651 0.020 . . . . . . A 10 LYS HD3 . 30879 1 74 . 1 . 1 10 10 LYS HE2 H 1 3.047 0.020 . . . . . . A 10 LYS HE2 . 30879 1 75 . 1 . 1 10 10 LYS HE3 H 1 3.047 0.020 . . . . . . A 10 LYS HE3 . 30879 1 76 . 1 . 1 11 11 LYS H H 1 7.790 0.020 . . . . . . A 11 LYS H . 30879 1 77 . 1 . 1 11 11 LYS HA H 1 4.179 0.020 . . . . . . A 11 LYS HA . 30879 1 78 . 1 . 1 11 11 LYS HB2 H 1 2.122 0.020 . . . . . . A 11 LYS HB2 . 30879 1 79 . 1 . 1 11 11 LYS HB3 H 1 2.040 0.020 . . . . . . A 11 LYS HB3 . 30879 1 80 . 1 . 1 11 11 LYS HG2 H 1 1.615 0.020 . . . . . . A 11 LYS HG2 . 30879 1 81 . 1 . 1 11 11 LYS HG3 H 1 1.615 0.020 . . . . . . A 11 LYS HG3 . 30879 1 82 . 1 . 1 11 11 LYS HD2 H 1 1.766 0.020 . . . . . . A 11 LYS HD2 . 30879 1 83 . 1 . 1 11 11 LYS HD3 H 1 1.766 0.020 . . . . . . A 11 LYS HD3 . 30879 1 84 . 1 . 1 11 11 LYS HE2 H 1 3.024 0.020 . . . . . . A 11 LYS HE2 . 30879 1 85 . 1 . 1 11 11 LYS HE3 H 1 3.024 0.020 . . . . . . A 11 LYS HE3 . 30879 1 86 . 1 . 1 12 12 ILE H H 1 8.420 0.020 . . . . . . A 12 ILE H . 30879 1 87 . 1 . 1 12 12 ILE HA H 1 3.760 0.020 . . . . . . A 12 ILE HA . 30879 1 88 . 1 . 1 12 12 ILE HB H 1 2.024 0.020 . . . . . . A 12 ILE HB . 30879 1 89 . 1 . 1 12 12 ILE HG12 H 1 1.175 0.020 . . . . . . A 12 ILE HG12 . 30879 1 90 . 1 . 1 12 12 ILE HG13 H 1 1.157 0.020 . . . . . . A 12 ILE HG13 . 30879 1 91 . 1 . 1 12 12 ILE HG21 H 1 0.999 0.020 . . . . . . A 12 ILE HG21 . 30879 1 92 . 1 . 1 12 12 ILE HG22 H 1 0.999 0.020 . . . . . . A 12 ILE HG22 . 30879 1 93 . 1 . 1 12 12 ILE HG23 H 1 0.999 0.020 . . . . . . A 12 ILE HG23 . 30879 1 94 . 1 . 1 12 12 ILE HD11 H 1 0.876 0.020 . . . . . . A 12 ILE HD11 . 30879 1 95 . 1 . 1 12 12 ILE HD12 H 1 0.876 0.020 . . . . . . A 12 ILE HD12 . 30879 1 96 . 1 . 1 12 12 ILE HD13 H 1 0.876 0.020 . . . . . . A 12 ILE HD13 . 30879 1 97 . 1 . 1 13 13 ASP H H 1 8.654 0.020 . . . . . . A 13 ASP H . 30879 1 98 . 1 . 1 13 13 ASP HA H 1 4.499 0.020 . . . . . . A 13 ASP HA . 30879 1 99 . 1 . 1 13 13 ASP HB2 H 1 2.929 0.020 . . . . . . A 13 ASP HB2 . 30879 1 100 . 1 . 1 13 13 ASP HB3 H 1 3.144 0.020 . . . . . . A 13 ASP HB3 . 30879 1 101 . 1 . 1 14 14 GLU H H 1 8.321 0.020 . . . . . . A 14 GLU H . 30879 1 102 . 1 . 1 14 14 GLU HA H 1 4.169 0.020 . . . . . . A 14 GLU HA . 30879 1 103 . 1 . 1 14 14 GLU HB2 H 1 2.340 0.020 . . . . . . A 14 GLU HB2 . 30879 1 104 . 1 . 1 14 14 GLU HB3 H 1 2.243 0.020 . . . . . . A 14 GLU HB3 . 30879 1 105 . 1 . 1 14 14 GLU HG2 H 1 2.748 0.020 . . . . . . A 14 GLU HG2 . 30879 1 106 . 1 . 1 14 14 GLU HG3 H 1 2.503 0.020 . . . . . . A 14 GLU HG3 . 30879 1 107 . 1 . 1 15 15 ARG H H 1 8.121 0.020 . . . . . . A 15 ARG H . 30879 1 108 . 1 . 1 15 15 ARG HA H 1 4.258 0.020 . . . . . . A 15 ARG HA . 30879 1 109 . 1 . 1 15 15 ARG HB2 H 1 3.229 0.020 . . . . . . A 15 ARG HB2 . 30879 1 110 . 1 . 1 15 15 ARG HB3 H 1 2.093 0.020 . . . . . . A 15 ARG HB3 . 30879 1 111 . 1 . 1 15 15 ARG HG2 H 1 1.812 0.020 . . . . . . A 15 ARG HG2 . 30879 1 112 . 1 . 1 15 15 ARG HG3 H 1 1.812 0.020 . . . . . . A 15 ARG HG3 . 30879 1 113 . 1 . 1 15 15 ARG HD2 H 1 3.277 0.020 . . . . . . A 15 ARG HD2 . 30879 1 114 . 1 . 1 15 15 ARG HD3 H 1 3.277 0.020 . . . . . . A 15 ARG HD3 . 30879 1 115 . 1 . 1 15 15 ARG HE H 1 7.274 0.020 . . . . . . A 15 ARG HE . 30879 1 116 . 1 . 1 16 16 MET H H 1 8.637 0.020 . . . . . . A 16 MET H . 30879 1 117 . 1 . 1 16 16 MET HA H 1 4.433 0.020 . . . . . . A 16 MET HA . 30879 1 118 . 1 . 1 16 16 MET HB2 H 1 2.242 0.020 . . . . . . A 16 MET HB2 . 30879 1 119 . 1 . 1 16 16 MET HB3 H 1 2.242 0.020 . . . . . . A 16 MET HB3 . 30879 1 120 . 1 . 1 16 16 MET HG2 H 1 2.753 0.020 . . . . . . A 16 MET HG2 . 30879 1 121 . 1 . 1 16 16 MET HG3 H 1 2.642 0.020 . . . . . . A 16 MET HG3 . 30879 1 122 . 1 . 1 16 16 MET HE1 H 1 2.319 0.020 . . . . . . A 16 MET HE1 . 30879 1 123 . 1 . 1 16 16 MET HE2 H 1 2.319 0.020 . . . . . . A 16 MET HE2 . 30879 1 124 . 1 . 1 16 16 MET HE3 H 1 2.319 0.020 . . . . . . A 16 MET HE3 . 30879 1 125 . 1 . 1 17 17 GLY H H 1 8.415 0.020 . . . . . . A 17 GLY H . 30879 1 126 . 1 . 1 17 17 GLY HA2 H 1 3.965 0.020 . . . . . . A 17 GLY HA2 . 30879 1 127 . 1 . 1 17 17 GLY HA3 H 1 3.965 0.020 . . . . . . A 17 GLY HA3 . 30879 1 128 . 1 . 1 18 18 ASN H H 1 8.157 0.020 . . . . . . A 18 ASN H . 30879 1 129 . 1 . 1 18 18 ASN HA H 1 4.717 0.020 . . . . . . A 18 ASN HA . 30879 1 130 . 1 . 1 18 18 ASN HB2 H 1 2.915 0.020 . . . . . . A 18 ASN HB2 . 30879 1 131 . 1 . 1 18 18 ASN HB3 H 1 2.915 0.020 . . . . . . A 18 ASN HB3 . 30879 1 132 . 1 . 1 18 18 ASN HD21 H 1 7.476 0.020 . . . . . . A 18 ASN HD21 . 30879 1 133 . 1 . 1 18 18 ASN HD22 H 1 6.734 0.020 . . . . . . A 18 ASN HD22 . 30879 1 134 . 1 . 1 19 19 THR H H 1 8.017 0.020 . . . . . . A 19 THR H . 30879 1 135 . 1 . 1 19 19 THR HA H 1 4.456 0.020 . . . . . . A 19 THR HA . 30879 1 136 . 1 . 1 19 19 THR HB H 1 4.265 0.020 . . . . . . A 19 THR HB . 30879 1 137 . 1 . 1 19 19 THR HG21 H 1 1.327 0.020 . . . . . . A 19 THR HG21 . 30879 1 138 . 1 . 1 19 19 THR HG22 H 1 1.327 0.020 . . . . . . A 19 THR HG22 . 30879 1 139 . 1 . 1 19 19 THR HG23 H 1 1.327 0.020 . . . . . . A 19 THR HG23 . 30879 1 140 . 1 . 1 20 20 VAL H H 1 8.104 0.020 . . . . . . A 20 VAL H . 30879 1 141 . 1 . 1 20 20 VAL HA H 1 3.979 0.020 . . . . . . A 20 VAL HA . 30879 1 142 . 1 . 1 20 20 VAL HB H 1 2.225 0.020 . . . . . . A 20 VAL HB . 30879 1 143 . 1 . 1 20 20 VAL HG11 H 1 1.078 0.020 . . . . . . A 20 VAL HG11 . 30879 1 144 . 1 . 1 20 20 VAL HG12 H 1 1.078 0.020 . . . . . . A 20 VAL HG12 . 30879 1 145 . 1 . 1 20 20 VAL HG13 H 1 1.078 0.020 . . . . . . A 20 VAL HG13 . 30879 1 146 . 1 . 1 20 20 VAL HG21 H 1 1.012 0.020 . . . . . . A 20 VAL HG21 . 30879 1 147 . 1 . 1 20 20 VAL HG22 H 1 1.012 0.020 . . . . . . A 20 VAL HG22 . 30879 1 148 . 1 . 1 20 20 VAL HG23 H 1 1.012 0.020 . . . . . . A 20 VAL HG23 . 30879 1 149 . 1 . 1 21 21 LEU H H 1 8.105 0.020 . . . . . . A 21 LEU H . 30879 1 150 . 1 . 1 21 21 LEU HA H 1 4.307 0.020 . . . . . . A 21 LEU HA . 30879 1 151 . 1 . 1 21 21 LEU HB2 H 1 1.818 0.020 . . . . . . A 21 LEU HB2 . 30879 1 152 . 1 . 1 21 21 LEU HB3 H 1 1.818 0.020 . . . . . . A 21 LEU HB3 . 30879 1 153 . 1 . 1 21 21 LEU HG H 1 1.657 0.020 . . . . . . A 21 LEU HG . 30879 1 154 . 1 . 1 21 21 LEU HD11 H 1 0.952 0.020 . . . . . . A 21 LEU HD11 . 30879 1 155 . 1 . 1 21 21 LEU HD12 H 1 0.952 0.020 . . . . . . A 21 LEU HD12 . 30879 1 156 . 1 . 1 21 21 LEU HD13 H 1 0.952 0.020 . . . . . . A 21 LEU HD13 . 30879 1 157 . 1 . 1 21 21 LEU HD21 H 1 0.952 0.020 . . . . . . A 21 LEU HD21 . 30879 1 158 . 1 . 1 21 21 LEU HD22 H 1 0.952 0.020 . . . . . . A 21 LEU HD22 . 30879 1 159 . 1 . 1 21 21 LEU HD23 H 1 0.952 0.020 . . . . . . A 21 LEU HD23 . 30879 1 160 . 1 . 1 22 22 GLY H H 1 8.051 0.020 . . . . . . A 22 GLY H . 30879 1 161 . 1 . 1 22 22 GLY HA2 H 1 3.981 0.020 . . . . . . A 22 GLY HA2 . 30879 1 162 . 1 . 1 22 22 GLY HA3 H 1 3.981 0.020 . . . . . . A 22 GLY HA3 . 30879 1 163 . 1 . 1 23 23 GLY H H 1 8.068 0.020 . . . . . . A 23 GLY H . 30879 1 164 . 1 . 1 23 23 GLY HA2 H 1 4.057 0.020 . . . . . . A 23 GLY HA2 . 30879 1 165 . 1 . 1 23 23 GLY HA3 H 1 4.057 0.020 . . . . . . A 23 GLY HA3 . 30879 1 166 . 1 . 1 24 24 MET H H 1 8.074 0.020 . . . . . . A 24 MET H . 30879 1 167 . 1 . 1 24 24 MET HA H 1 4.445 0.020 . . . . . . A 24 MET HA . 30879 1 168 . 1 . 1 24 24 MET HB2 H 1 2.204 0.020 . . . . . . A 24 MET HB2 . 30879 1 169 . 1 . 1 24 24 MET HB3 H 1 2.204 0.020 . . . . . . A 24 MET HB3 . 30879 1 170 . 1 . 1 24 24 MET HG2 H 1 2.723 0.020 . . . . . . A 24 MET HG2 . 30879 1 171 . 1 . 1 24 24 MET HG3 H 1 2.626 0.020 . . . . . . A 24 MET HG3 . 30879 1 172 . 1 . 1 25 25 ALA H H 1 8.028 0.020 . . . . . . A 25 ALA H . 30879 1 173 . 1 . 1 25 25 ALA HA H 1 4.281 0.020 . . . . . . A 25 ALA HA . 30879 1 174 . 1 . 1 25 25 ALA HB1 H 1 1.494 0.020 . . . . . . A 25 ALA HB1 . 30879 1 175 . 1 . 1 25 25 ALA HB2 H 1 1.494 0.020 . . . . . . A 25 ALA HB2 . 30879 1 176 . 1 . 1 25 25 ALA HB3 H 1 1.494 0.020 . . . . . . A 25 ALA HB3 . 30879 1 177 . 1 . 1 26 26 LYS H H 1 7.753 0.020 . . . . . . A 26 LYS H . 30879 1 178 . 1 . 1 26 26 LYS HA H 1 4.366 0.020 . . . . . . A 26 LYS HA . 30879 1 179 . 1 . 1 26 26 LYS HB2 H 1 1.958 0.020 . . . . . . A 26 LYS HB2 . 30879 1 180 . 1 . 1 26 26 LYS HB3 H 1 1.875 0.020 . . . . . . A 26 LYS HB3 . 30879 1 181 . 1 . 1 26 26 LYS HG2 H 1 1.551 0.020 . . . . . . A 26 LYS HG2 . 30879 1 182 . 1 . 1 26 26 LYS HG3 H 1 1.551 0.020 . . . . . . A 26 LYS HG3 . 30879 1 183 . 1 . 1 26 26 LYS HD2 H 1 1.767 0.020 . . . . . . A 26 LYS HD2 . 30879 1 184 . 1 . 1 26 26 LYS HD3 H 1 1.767 0.020 . . . . . . A 26 LYS HD3 . 30879 1 185 . 1 . 1 26 26 LYS HE2 H 1 3.069 0.020 . . . . . . A 26 LYS HE2 . 30879 1 186 . 1 . 1 26 26 LYS HE3 H 1 3.069 0.020 . . . . . . A 26 LYS HE3 . 30879 1 187 . 1 . 1 27 27 ALA H H 1 7.916 0.020 . . . . . . A 27 ALA H . 30879 1 188 . 1 . 1 27 27 ALA HA H 1 4.418 0.020 . . . . . . A 27 ALA HA . 30879 1 189 . 1 . 1 27 27 ALA HB1 H 1 1.488 0.020 . . . . . . A 27 ALA HB1 . 30879 1 190 . 1 . 1 27 27 ALA HB2 H 1 1.488 0.020 . . . . . . A 27 ALA HB2 . 30879 1 191 . 1 . 1 27 27 ALA HB3 H 1 1.488 0.020 . . . . . . A 27 ALA HB3 . 30879 1 192 . 1 . 1 28 28 ILE H H 1 7.624 0.020 . . . . . . A 28 ILE H . 30879 1 193 . 1 . 1 28 28 ILE HA H 1 4.327 0.020 . . . . . . A 28 ILE HA . 30879 1 194 . 1 . 1 28 28 ILE HB H 1 1.977 0.020 . . . . . . A 28 ILE HB . 30879 1 195 . 1 . 1 28 28 ILE HG12 H 1 1.548 0.020 . . . . . . A 28 ILE HG12 . 30879 1 196 . 1 . 1 28 28 ILE HG13 H 1 1.275 0.020 . . . . . . A 28 ILE HG13 . 30879 1 197 . 1 . 1 28 28 ILE HG21 H 1 0.995 0.020 . . . . . . A 28 ILE HG21 . 30879 1 198 . 1 . 1 28 28 ILE HG22 H 1 0.995 0.020 . . . . . . A 28 ILE HG22 . 30879 1 199 . 1 . 1 28 28 ILE HG23 H 1 0.995 0.020 . . . . . . A 28 ILE HG23 . 30879 1 200 . 1 . 1 28 28 ILE HD11 H 1 0.950 0.020 . . . . . . A 28 ILE HD11 . 30879 1 201 . 1 . 1 28 28 ILE HD12 H 1 0.950 0.020 . . . . . . A 28 ILE HD12 . 30879 1 202 . 1 . 1 28 28 ILE HD13 H 1 0.950 0.020 . . . . . . A 28 ILE HD13 . 30879 1 stop_ save_