################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18409 _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 $chemical_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' . . . 18409 1 2 '2D 1H-1H TOCSY' . . . 18409 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.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 4.084 0.000 . 1 . . . A 1 LYS HA . 18409 1 2 . 1 1 2 2 HIS H H 1 8.967 0.002 . 1 . . . A 2 HIS HN . 18409 1 3 . 1 1 2 2 HIS HA H 1 5.073 0.001 . 1 . . . A 2 HIS HA . 18409 1 4 . 1 1 2 2 HIS HB2 H 1 3.414 0.000 . 2 . . . A 2 HIS HB2 . 18409 1 5 . 1 1 2 2 HIS HB3 H 1 3.316 0.001 . 2 . . . A 2 HIS HB3 . 18409 1 6 . 1 1 2 2 HIS HD1 H 1 7.346 0.000 . 1 . . . A 2 HIS HD1 . 18409 1 7 . 1 1 3 3 LEU H H 1 8.324 0.001 . 1 . . . A 3 LEU HN . 18409 1 8 . 1 1 3 3 LEU HA H 1 4.348 0.000 . 1 . . . A 3 LEU HA . 18409 1 9 . 1 1 3 3 LEU HB2 H 1 1.804 0.000 . 2 . . . A 3 LEU QB . 18409 1 10 . 1 1 3 3 LEU HB3 H 1 1.804 0.000 . 2 . . . A 3 LEU QB . 18409 1 11 . 1 1 3 3 LEU HG H 1 1.713 0.001 . 1 . . . A 3 LEU HG . 18409 1 12 . 1 1 3 3 LEU HD11 H 1 1.008 0.001 . 2 . . . A 3 LEU QD1 . 18409 1 13 . 1 1 3 3 LEU HD12 H 1 1.008 0.001 . 2 . . . A 3 LEU QD1 . 18409 1 14 . 1 1 3 3 LEU HD13 H 1 1.008 0.001 . 2 . . . A 3 LEU QD1 . 18409 1 15 . 1 1 3 3 LEU HD21 H 1 0.976 0.000 . 2 . . . A 3 LEU QD2 . 18409 1 16 . 1 1 3 3 LEU HD22 H 1 0.976 0.000 . 2 . . . A 3 LEU QD2 . 18409 1 17 . 1 1 3 3 LEU HD23 H 1 0.976 0.000 . 2 . . . A 3 LEU QD2 . 18409 1 18 . 1 1 4 4 LEU H H 1 8.113 0.001 . 1 . . . A 4 LEU HN . 18409 1 19 . 1 1 4 4 LEU HA H 1 4.178 0.001 . 1 . . . A 4 LEU HA . 18409 1 20 . 1 1 4 4 LEU HB2 H 1 1.694 0.001 . 2 . . . A 4 LEU QB . 18409 1 21 . 1 1 4 4 LEU HB3 H 1 1.694 0.001 . 2 . . . A 4 LEU QB . 18409 1 22 . 1 1 4 4 LEU HD11 H 1 1.009 0.000 . 2 . . . A 4 LEU QD1 . 18409 1 23 . 1 1 4 4 LEU HD12 H 1 1.009 0.000 . 2 . . . A 4 LEU QD1 . 18409 1 24 . 1 1 4 4 LEU HD13 H 1 1.009 0.000 . 2 . . . A 4 LEU QD1 . 18409 1 25 . 1 1 4 4 LEU HD21 H 1 0.966 0.000 . 2 . . . A 4 LEU QD2 . 18409 1 26 . 1 1 4 4 LEU HD22 H 1 0.966 0.000 . 2 . . . A 4 LEU QD2 . 18409 1 27 . 1 1 4 4 LEU HD23 H 1 0.966 0.000 . 2 . . . A 4 LEU QD2 . 18409 1 28 . 1 1 5 5 GLN H H 1 8.413 0.001 . 1 . . . A 5 GLN HN . 18409 1 29 . 1 1 5 5 GLN HA H 1 4.007 0.001 . 1 . . . A 5 GLN HA . 18409 1 30 . 1 1 5 5 GLN HB2 H 1 2.188 0.001 . 2 . . . A 5 GLN QB . 18409 1 31 . 1 1 5 5 GLN HB3 H 1 2.188 0.001 . 2 . . . A 5 GLN QB . 18409 1 32 . 1 1 5 5 GLN HG2 H 1 2.636 0.001 . 2 . . . A 5 GLN HG2 . 18409 1 33 . 1 1 5 5 GLN HG3 H 1 2.435 0.001 . 2 . . . A 5 GLN HG3 . 18409 1 34 . 1 1 5 5 GLN HE21 H 1 6.985 0.001 . 2 . . . A 5 GLN HE21 . 18409 1 35 . 1 1 5 5 GLN HE22 H 1 6.720 0.000 . 2 . . . A 5 GLN HE22 . 18409 1 36 . 1 1 6 6 THR H H 1 7.843 0.001 . 1 . . . A 6 THR HN . 18409 1 37 . 1 1 6 6 THR HA H 1 4.087 0.001 . 1 . . . A 6 THR HA . 18409 1 38 . 1 1 6 6 THR HB H 1 4.555 0.001 . 1 . . . A 6 THR HB . 18409 1 39 . 1 1 6 6 THR HG21 H 1 1.371 0.001 . 1 . . . A 6 THR QG2 . 18409 1 40 . 1 1 6 6 THR HG22 H 1 1.371 0.001 . 1 . . . A 6 THR QG2 . 18409 1 41 . 1 1 6 6 THR HG23 H 1 1.371 0.001 . 1 . . . A 6 THR QG2 . 18409 1 42 . 1 1 7 7 VAL H H 1 8.073 0.001 . 1 . . . A 7 VAL HN . 18409 1 43 . 1 1 7 7 VAL HA H 1 3.737 0.001 . 1 . . . A 7 VAL HA . 18409 1 44 . 1 1 7 7 VAL HB H 1 2.297 0.002 . 1 . . . A 7 VAL HB . 18409 1 45 . 1 1 7 7 VAL HG11 H 1 1.126 0.002 . 2 . . . A 7 VAL QG1 . 18409 1 46 . 1 1 7 7 VAL HG12 H 1 1.126 0.002 . 2 . . . A 7 VAL QG1 . 18409 1 47 . 1 1 7 7 VAL HG13 H 1 1.126 0.002 . 2 . . . A 7 VAL QG1 . 18409 1 48 . 1 1 7 7 VAL HG21 H 1 1.045 0.001 . 2 . . . A 7 VAL QG2 . 18409 1 49 . 1 1 7 7 VAL HG22 H 1 1.045 0.001 . 2 . . . A 7 VAL QG2 . 18409 1 50 . 1 1 7 7 VAL HG23 H 1 1.045 0.001 . 2 . . . A 7 VAL QG2 . 18409 1 51 . 1 1 8 8 LEU H H 1 8.398 0.001 . 1 . . . A 8 LEU HN . 18409 1 52 . 1 1 8 8 LEU HA H 1 4.203 0.001 . 1 . . . A 8 LEU HA . 18409 1 53 . 1 1 8 8 LEU HB2 H 1 1.904 0.000 . 2 . . . A 8 LEU QB . 18409 1 54 . 1 1 8 8 LEU HB3 H 1 1.904 0.000 . 2 . . . A 8 LEU QB . 18409 1 55 . 1 1 8 8 LEU HG H 1 1.502 0.001 . 1 . . . A 8 LEU HG . 18409 1 56 . 1 1 8 8 LEU HD11 H 1 0.915 0.000 . 2 . . . A 8 LEU QQD . 18409 1 57 . 1 1 8 8 LEU HD12 H 1 0.915 0.000 . 2 . . . A 8 LEU QQD . 18409 1 58 . 1 1 8 8 LEU HD13 H 1 0.915 0.000 . 2 . . . A 8 LEU QQD . 18409 1 59 . 1 1 8 8 LEU HD21 H 1 0.915 0.000 . 2 . . . A 8 LEU QQD . 18409 1 60 . 1 1 8 8 LEU HD22 H 1 0.915 0.000 . 2 . . . A 8 LEU QQD . 18409 1 61 . 1 1 8 8 LEU HD23 H 1 0.915 0.000 . 2 . . . A 8 LEU QQD . 18409 1 62 . 1 1 9 9 HIS H H 1 7.857 0.001 . 1 . . . A 9 HIS HN . 18409 1 63 . 1 1 9 9 HIS HA H 1 4.503 0.001 . 1 . . . A 9 HIS HA . 18409 1 64 . 1 1 9 9 HIS HB2 H 1 3.558 0.001 . 2 . . . A 9 HIS HB2 . 18409 1 65 . 1 1 9 9 HIS HB3 H 1 3.489 0.000 . 2 . . . A 9 HIS HB3 . 18409 1 66 . 1 1 9 9 HIS HD1 H 1 7.258 0.001 . 1 . . . A 9 HIS HD1 . 18409 1 67 . 1 1 10 10 ILE H H 1 8.114 0.001 . 1 . . . A 10 ILE HN . 18409 1 68 . 1 1 10 10 ILE HA H 1 3.682 0.001 . 1 . . . A 10 ILE HA . 18409 1 69 . 1 1 10 10 ILE HB H 1 2.184 0.001 . 1 . . . A 10 ILE HB . 18409 1 70 . 1 1 10 10 ILE HG12 H 1 1.921 0.001 . 2 . . . A 10 ILE HG12 . 18409 1 71 . 1 1 10 10 ILE HG13 H 1 1.194 0.001 . 2 . . . A 10 ILE HG13 . 18409 1 72 . 1 1 11 11 ILE H H 1 8.451 0.001 . 1 . . . A 11 ILE HN . 18409 1 73 . 1 1 11 11 ILE HA H 1 3.724 0.001 . 1 . . . A 11 ILE HA . 18409 1 74 . 1 1 11 11 ILE HB H 1 2.012 0.001 . 1 . . . A 11 ILE HB . 18409 1 75 . 1 1 11 11 ILE HG12 H 1 1.861 0.001 . 2 . . . A 11 ILE HG12 . 18409 1 76 . 1 1 11 11 ILE HG13 H 1 1.230 0.001 . 2 . . . A 11 ILE HG13 . 18409 1 77 . 1 1 11 11 ILE HG21 H 1 0.993 0.000 . 1 . . . A 11 ILE QG2 . 18409 1 78 . 1 1 11 11 ILE HG22 H 1 0.993 0.000 . 1 . . . A 11 ILE QG2 . 18409 1 79 . 1 1 11 11 ILE HG23 H 1 0.993 0.000 . 1 . . . A 11 ILE QG2 . 18409 1 80 . 1 1 11 11 ILE HD11 H 1 0.908 0.000 . 1 . . . A 11 ILE QD1 . 18409 1 81 . 1 1 11 11 ILE HD12 H 1 0.908 0.000 . 1 . . . A 11 ILE QD1 . 18409 1 82 . 1 1 11 11 ILE HD13 H 1 0.908 0.000 . 1 . . . A 11 ILE QD1 . 18409 1 83 . 1 1 12 12 GLN H H 1 7.794 0.001 . 1 . . . A 12 GLN HN . 18409 1 84 . 1 1 12 12 GLN HA H 1 4.021 0.001 . 1 . . . A 12 GLN HA . 18409 1 85 . 1 1 12 12 GLN HB2 H 1 2.360 0.001 . 2 . . . A 12 GLN HB2 . 18409 1 86 . 1 1 12 12 GLN HB3 H 1 2.225 0.001 . 2 . . . A 12 GLN HB3 . 18409 1 87 . 1 1 12 12 GLN HG2 H 1 2.745 0.001 . 2 . . . A 12 GLN QG . 18409 1 88 . 1 1 12 12 GLN HG3 H 1 2.745 0.001 . 2 . . . A 12 GLN QG . 18409 1 89 . 1 1 12 12 GLN HE21 H 1 6.718 0.001 . 2 . . . A 12 GLN HE21 . 18409 1 90 . 1 1 12 12 GLN HE22 H 1 6.276 0.000 . 2 . . . A 12 GLN HE22 . 18409 1 91 . 1 1 13 13 VAL H H 1 8.041 0.001 . 1 . . . A 13 VAL HN . 18409 1 92 . 1 1 13 13 VAL HA H 1 3.625 0.001 . 1 . . . A 13 VAL HA . 18409 1 93 . 1 1 13 13 VAL HB H 1 2.454 0.001 . 1 . . . A 13 VAL HB . 18409 1 94 . 1 1 13 13 VAL HG11 H 1 0.975 0.000 . 2 . . . A 13 VAL QQG . 18409 1 95 . 1 1 13 13 VAL HG12 H 1 0.975 0.000 . 2 . . . A 13 VAL QQG . 18409 1 96 . 1 1 13 13 VAL HG13 H 1 0.975 0.000 . 2 . . . A 13 VAL QQG . 18409 1 97 . 1 1 13 13 VAL HG21 H 1 0.975 0.000 . 2 . . . A 13 VAL QQG . 18409 1 98 . 1 1 13 13 VAL HG22 H 1 0.975 0.000 . 2 . . . A 13 VAL QQG . 18409 1 99 . 1 1 13 13 VAL HG23 H 1 0.975 0.000 . 2 . . . A 13 VAL QQG . 18409 1 100 . 1 1 14 14 VAL H H 1 8.501 0.001 . 1 . . . A 14 VAL HN . 18409 1 101 . 1 1 14 14 VAL HA H 1 3.679 0.001 . 1 . . . A 14 VAL HA . 18409 1 102 . 1 1 14 14 VAL HB H 1 2.321 0.001 . 1 . . . A 14 VAL HB . 18409 1 103 . 1 1 14 14 VAL HG11 H 1 1.115 0.002 . 2 . . . A 14 VAL QG1 . 18409 1 104 . 1 1 14 14 VAL HG12 H 1 1.115 0.002 . 2 . . . A 14 VAL QG1 . 18409 1 105 . 1 1 14 14 VAL HG13 H 1 1.115 0.002 . 2 . . . A 14 VAL QG1 . 18409 1 106 . 1 1 14 14 VAL HG21 H 1 1.047 0.001 . 2 . . . A 14 VAL QG2 . 18409 1 107 . 1 1 14 14 VAL HG22 H 1 1.047 0.001 . 2 . . . A 14 VAL QG2 . 18409 1 108 . 1 1 14 14 VAL HG23 H 1 1.047 0.001 . 2 . . . A 14 VAL QG2 . 18409 1 109 . 1 1 15 15 ILE H H 1 8.912 0.001 . 1 . . . A 15 ILE HN . 18409 1 110 . 1 1 15 15 ILE HA H 1 3.963 0.001 . 1 . . . A 15 ILE HA . 18409 1 111 . 1 1 15 15 ILE HB H 1 2.005 0.001 . 1 . . . A 15 ILE HB . 18409 1 112 . 1 1 15 15 ILE HG12 H 1 1.893 0.001 . 2 . . . A 15 ILE HG12 . 18409 1 113 . 1 1 15 15 ILE HG13 H 1 1.316 0.001 . 2 . . . A 15 ILE HG13 . 18409 1 114 . 1 1 15 15 ILE HG21 H 1 1.048 0.001 . 1 . . . A 15 ILE QG2 . 18409 1 115 . 1 1 15 15 ILE HG22 H 1 1.048 0.001 . 1 . . . A 15 ILE QG2 . 18409 1 116 . 1 1 15 15 ILE HG23 H 1 1.048 0.001 . 1 . . . A 15 ILE QG2 . 18409 1 117 . 1 1 15 15 ILE HD11 H 1 0.903 0.000 . 1 . . . A 15 ILE QD1 . 18409 1 118 . 1 1 15 15 ILE HD12 H 1 0.903 0.000 . 1 . . . A 15 ILE QD1 . 18409 1 119 . 1 1 15 15 ILE HD13 H 1 0.903 0.000 . 1 . . . A 15 ILE QD1 . 18409 1 120 . 1 1 16 16 SER H H 1 8.045 0.001 . 1 . . . A 16 SER HN . 18409 1 121 . 1 1 16 16 SER HA H 1 4.217 0.001 . 1 . . . A 16 SER HA . 18409 1 122 . 1 1 16 16 SER HB2 H 1 4.066 0.001 . 2 . . . A 16 SER QB . 18409 1 123 . 1 1 16 16 SER HB3 H 1 4.066 0.001 . 2 . . . A 16 SER QB . 18409 1 124 . 1 1 17 17 TYR H H 1 8.272 0.001 . 1 . . . A 17 TYR HN . 18409 1 125 . 1 1 17 17 TYR HA H 1 4.360 0.000 . 1 . . . A 17 TYR HA . 18409 1 126 . 1 1 17 17 TYR HB2 H 1 3.319 0.001 . 2 . . . A 17 TYR HB2 . 18409 1 127 . 1 1 17 17 TYR HB3 H 1 3.235 0.001 . 2 . . . A 17 TYR HB3 . 18409 1 128 . 1 1 17 17 TYR HD1 H 1 6.993 0.001 . 3 . . . A 17 TYR HD1 . 18409 1 129 . 1 1 18 18 PHE H H 1 8.411 0.001 . 1 . . . A 18 PHE HN . 18409 1 130 . 1 1 18 18 PHE HA H 1 4.344 0.001 . 1 . . . A 18 PHE HA . 18409 1 131 . 1 1 18 18 PHE HB2 H 1 3.331 0.001 . 2 . . . A 18 PHE QB . 18409 1 132 . 1 1 18 18 PHE HB3 H 1 3.331 0.001 . 2 . . . A 18 PHE QB . 18409 1 133 . 1 1 18 18 PHE HD2 H 1 7.258 0.001 . 3 . . . A 18 PHE HD2 . 18409 1 134 . 1 1 19 19 LEU H H 1 8.868 0.001 . 1 . . . A 19 LEU HN . 18409 1 135 . 1 1 19 19 LEU HA H 1 4.080 0.001 . 1 . . . A 19 LEU HA . 18409 1 136 . 1 1 19 19 LEU HB2 H 1 1.466 0.001 . 2 . . . A 19 LEU QB . 18409 1 137 . 1 1 19 19 LEU HB3 H 1 1.466 0.001 . 2 . . . A 19 LEU QB . 18409 1 138 . 1 1 19 19 LEU HD11 H 1 0.916 0.000 . 2 . . . A 19 LEU QQD . 18409 1 139 . 1 1 19 19 LEU HD12 H 1 0.916 0.000 . 2 . . . A 19 LEU QQD . 18409 1 140 . 1 1 19 19 LEU HD13 H 1 0.916 0.000 . 2 . . . A 19 LEU QQD . 18409 1 141 . 1 1 19 19 LEU HD21 H 1 0.916 0.000 . 2 . . . A 19 LEU QQD . 18409 1 142 . 1 1 19 19 LEU HD22 H 1 0.916 0.000 . 2 . . . A 19 LEU QQD . 18409 1 143 . 1 1 19 19 LEU HD23 H 1 0.916 0.000 . 2 . . . A 19 LEU QQD . 18409 1 144 . 1 1 20 20 MET H H 1 7.910 0.001 . 1 . . . A 20 MET HN . 18409 1 145 . 1 1 20 20 MET HA H 1 4.305 0.001 . 1 . . . A 20 MET HA . 18409 1 146 . 1 1 20 20 MET HB2 H 1 2.328 0.001 . 2 . . . A 20 MET QB . 18409 1 147 . 1 1 20 20 MET HB3 H 1 2.328 0.001 . 2 . . . A 20 MET QB . 18409 1 148 . 1 1 20 20 MET HG2 H 1 2.743 0.001 . 2 . . . A 20 MET HG2 . 18409 1 149 . 1 1 20 20 MET HG3 H 1 2.637 0.001 . 2 . . . A 20 MET HG3 . 18409 1 150 . 1 1 21 21 LEU H H 1 8.081 0.001 . 1 . . . A 21 LEU HN . 18409 1 151 . 1 1 21 21 LEU HA H 1 4.096 0.002 . 1 . . . A 21 LEU HA . 18409 1 152 . 1 1 21 21 LEU HB2 H 1 1.896 0.001 . 2 . . . A 21 LEU QB . 18409 1 153 . 1 1 21 21 LEU HB3 H 1 1.896 0.001 . 2 . . . A 21 LEU QB . 18409 1 154 . 1 1 21 21 LEU HG H 1 1.674 0.001 . 1 . . . A 21 LEU HG . 18409 1 155 . 1 1 21 21 LEU HD11 H 1 0.856 0.000 . 2 . . . A 21 LEU QQD . 18409 1 156 . 1 1 21 21 LEU HD12 H 1 0.856 0.000 . 2 . . . A 21 LEU QQD . 18409 1 157 . 1 1 21 21 LEU HD13 H 1 0.856 0.000 . 2 . . . A 21 LEU QQD . 18409 1 158 . 1 1 21 21 LEU HD21 H 1 0.856 0.000 . 2 . . . A 21 LEU QQD . 18409 1 159 . 1 1 21 21 LEU HD22 H 1 0.856 0.000 . 2 . . . A 21 LEU QQD . 18409 1 160 . 1 1 21 21 LEU HD23 H 1 0.856 0.000 . 2 . . . A 21 LEU QQD . 18409 1 161 . 1 1 22 22 ILE H H 1 8.503 0.001 . 1 . . . A 22 ILE HN . 18409 1 162 . 1 1 22 22 ILE HA H 1 3.665 0.001 . 1 . . . A 22 ILE HA . 18409 1 163 . 1 1 22 22 ILE HB H 1 2.058 0.001 . 1 . . . A 22 ILE HB . 18409 1 164 . 1 1 22 22 ILE HG12 H 1 1.635 0.001 . 2 . . . A 22 ILE HG12 . 18409 1 165 . 1 1 22 22 ILE HG13 H 1 1.063 0.002 . 2 . . . A 22 ILE HG13 . 18409 1 166 . 1 1 22 22 ILE HG21 H 1 0.912 0.000 . 1 . . . A 22 ILE QG2 . 18409 1 167 . 1 1 22 22 ILE HG22 H 1 0.912 0.000 . 1 . . . A 22 ILE QG2 . 18409 1 168 . 1 1 22 22 ILE HG23 H 1 0.912 0.000 . 1 . . . A 22 ILE QG2 . 18409 1 169 . 1 1 22 22 ILE HD11 H 1 0.779 0.000 . 1 . . . A 22 ILE QD1 . 18409 1 170 . 1 1 22 22 ILE HD12 H 1 0.779 0.000 . 1 . . . A 22 ILE QD1 . 18409 1 171 . 1 1 22 22 ILE HD13 H 1 0.779 0.000 . 1 . . . A 22 ILE QD1 . 18409 1 172 . 1 1 23 23 PHE H H 1 8.695 0.001 . 1 . . . A 23 PHE HN . 18409 1 173 . 1 1 23 23 PHE HA H 1 4.294 0.001 . 1 . . . A 23 PHE HA . 18409 1 174 . 1 1 23 23 PHE HB2 H 1 3.378 0.001 . 2 . . . A 23 PHE QB . 18409 1 175 . 1 1 23 23 PHE HB3 H 1 3.378 0.001 . 2 . . . A 23 PHE QB . 18409 1 176 . 1 1 23 23 PHE HD1 H 1 7.254 0.001 . 3 . . . A 23 PHE HD1 . 18409 1 177 . 1 1 24 24 MET H H 1 9.154 0.001 . 1 . . . A 24 MET HN . 18409 1 178 . 1 1 24 24 MET HA H 1 4.237 0.001 . 1 . . . A 24 MET HA . 18409 1 179 . 1 1 24 24 MET HB2 H 1 2.415 0.000 . 2 . . . A 24 MET HB2 . 18409 1 180 . 1 1 24 24 MET HB3 H 1 2.167 0.000 . 2 . . . A 24 MET HB3 . 18409 1 181 . 1 1 24 24 MET HG2 H 1 2.917 0.001 . 2 . . . A 24 MET HG2 . 18409 1 182 . 1 1 24 24 MET HG3 H 1 2.827 0.001 . 2 . . . A 24 MET HG3 . 18409 1 183 . 1 1 25 25 THR H H 1 8.255 0.001 . 1 . . . A 25 THR HN . 18409 1 184 . 1 1 25 25 THR HA H 1 4.030 0.002 . 1 . . . A 25 THR HA . 18409 1 185 . 1 1 25 25 THR HB H 1 4.389 0.001 . 1 . . . A 25 THR HB . 18409 1 186 . 1 1 25 25 THR HG21 H 1 1.215 0.000 . 1 . . . A 25 THR QG2 . 18409 1 187 . 1 1 25 25 THR HG22 H 1 1.215 0.000 . 1 . . . A 25 THR QG2 . 18409 1 188 . 1 1 25 25 THR HG23 H 1 1.215 0.000 . 1 . . . A 25 THR QG2 . 18409 1 189 . 1 1 26 26 TYR H H 1 8.672 0.001 . 1 . . . A 26 TYR HN . 18409 1 190 . 1 1 26 26 TYR HA H 1 4.280 0.001 . 1 . . . A 26 TYR HA . 18409 1 191 . 1 1 26 26 TYR HB2 H 1 3.174 0.000 . 2 . . . A 26 TYR HB2 . 18409 1 192 . 1 1 26 26 TYR HB3 H 1 3.083 0.000 . 2 . . . A 26 TYR HB3 . 18409 1 193 . 1 1 26 26 TYR HD1 H 1 7.135 0.001 . 3 . . . A 26 TYR HD1 . 18409 1 194 . 1 1 26 26 TYR HE1 H 1 6.841 0.001 . 3 . . . A 26 TYR HE1 . 18409 1 195 . 1 1 27 27 ASN H H 1 7.822 0.001 . 1 . . . A 27 ASN HN . 18409 1 196 . 1 1 27 27 ASN HA H 1 4.543 0.001 . 1 . . . A 27 ASN HA . 18409 1 197 . 1 1 27 27 ASN HB2 H 1 2.682 0.000 . 2 . . . A 27 ASN HB2 . 18409 1 198 . 1 1 27 27 ASN HB3 H 1 2.603 0.001 . 2 . . . A 27 ASN HB3 . 18409 1 199 . 1 1 27 27 ASN HD21 H 1 6.894 0.001 . 2 . . . A 27 ASN HD21 . 18409 1 200 . 1 1 27 27 ASN HD22 H 1 5.888 0.001 . 2 . . . A 27 ASN HD22 . 18409 1 201 . 1 1 28 28 LYS H H 1 7.928 0.001 . 1 . . . A 28 LYS HN . 18409 1 202 . 1 1 28 28 LYS HA H 1 4.409 0.000 . 1 . . . A 28 LYS HA . 18409 1 203 . 1 1 28 28 LYS HB2 H 1 1.989 0.001 . 2 . . . A 28 LYS HB2 . 18409 1 204 . 1 1 28 28 LYS HB3 H 1 1.898 0.001 . 2 . . . A 28 LYS HB3 . 18409 1 205 . 1 1 28 28 LYS HG2 H 1 1.498 0.001 . 2 . . . A 28 LYS QG . 18409 1 206 . 1 1 28 28 LYS HG3 H 1 1.498 0.001 . 2 . . . A 28 LYS QG . 18409 1 207 . 1 1 28 28 LYS HD2 H 1 1.718 0.001 . 2 . . . A 28 LYS QD . 18409 1 208 . 1 1 28 28 LYS HD3 H 1 1.718 0.001 . 2 . . . A 28 LYS QD . 18409 1 209 . 1 1 28 28 LYS HE2 H 1 3.024 0.000 . 2 . . . A 28 LYS QE . 18409 1 210 . 1 1 28 28 LYS HE3 H 1 3.024 0.000 . 2 . . . A 28 LYS QE . 18409 1 211 . 1 1 29 29 LYS H H 1 7.837 0.001 . 1 . . . A 29 LYS HN . 18409 1 212 . 1 1 29 29 LYS HA H 1 4.304 0.000 . 1 . . . A 29 LYS HA . 18409 1 213 . 1 1 29 29 LYS HB2 H 1 1.989 0.001 . 2 . . . A 29 LYS QB . 18409 1 214 . 1 1 29 29 LYS HB3 H 1 1.989 0.001 . 2 . . . A 29 LYS QB . 18409 1 215 . 1 1 29 29 LYS HG2 H 1 1.550 0.001 . 2 . . . A 29 LYS QG . 18409 1 216 . 1 1 29 29 LYS HG3 H 1 1.550 0.001 . 2 . . . A 29 LYS QG . 18409 1 217 . 1 1 29 29 LYS HD2 H 1 1.765 0.000 . 2 . . . A 29 LYS QD . 18409 1 218 . 1 1 29 29 LYS HD3 H 1 1.765 0.000 . 2 . . . A 29 LYS QD . 18409 1 219 . 1 1 29 29 LYS HE2 H 1 3.083 0.000 . 2 . . . A 29 LYS QE . 18409 1 220 . 1 1 29 29 LYS HE3 H 1 3.083 0.000 . 2 . . . A 29 LYS QE . 18409 1 stop_ save_