################################### # 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 17537 _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 TOCSY' . . . 17537 1 2 '2D 1H-1H NOESY' . . . 17537 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 2 2 ILE H H 1 8.627 0.020 . 1 . . . A 2 ILE H . 17537 1 2 . 1 1 2 2 ILE HA H 1 4.467 0.020 . 1 . . . A 2 ILE HA . 17537 1 3 . 1 1 3 3 THR H H 1 8.184 0.020 . 1 . . . A 3 THR H . 17537 1 4 . 1 1 3 3 THR HA H 1 4.632 0.020 . 1 . . . A 3 THR HA . 17537 1 5 . 1 1 3 3 THR HG21 H 1 1.345 0.020 . 1 . . . A 3 THR HG21 . 17537 1 6 . 1 1 3 3 THR HG22 H 1 1.345 0.020 . 1 . . . A 3 THR HG22 . 17537 1 7 . 1 1 3 3 THR HG23 H 1 1.345 0.020 . 1 . . . A 3 THR HG23 . 17537 1 8 . 1 1 4 4 ASP H H 1 8.875 0.020 . 1 . . . A 4 ASP H . 17537 1 9 . 1 1 4 4 ASP HA H 1 4.538 0.020 . 1 . . . A 4 ASP HA . 17537 1 10 . 1 1 4 4 ASP HB2 H 1 2.995 0.020 . 2 . . . A 4 ASP HB2 . 17537 1 11 . 1 1 5 5 VAL H H 1 7.846 0.020 . 1 . . . A 5 VAL H . 17537 1 12 . 1 1 5 5 VAL HA H 1 3.772 0.020 . 1 . . . A 5 VAL HA . 17537 1 13 . 1 1 5 5 VAL HB H 1 2.105 0.020 . 1 . . . A 5 VAL HB . 17537 1 14 . 1 1 5 5 VAL HG11 H 1 1.164 0.020 . 2 . . . A 5 VAL HG11 . 17537 1 15 . 1 1 5 5 VAL HG12 H 1 1.164 0.020 . 2 . . . A 5 VAL HG12 . 17537 1 16 . 1 1 5 5 VAL HG13 H 1 1.164 0.020 . 2 . . . A 5 VAL HG13 . 17537 1 17 . 1 1 6 6 GLN H H 1 7.762 0.020 . 1 . . . A 6 GLN H . 17537 1 18 . 1 1 6 6 GLN HA H 1 3.961 0.020 . 1 . . . A 6 GLN HA . 17537 1 19 . 1 1 6 6 GLN HB2 H 1 2.099 0.020 . 2 . . . A 6 GLN HB2 . 17537 1 20 . 1 1 6 6 GLN HG2 H 1 2.455 0.020 . 2 . . . A 6 GLN HG2 . 17537 1 21 . 1 1 7 7 LEU H H 1 7.949 0.020 . 1 . . . A 7 LEU H . 17537 1 22 . 1 1 7 7 LEU HA H 1 4.199 0.020 . 1 . . . A 7 LEU HA . 17537 1 23 . 1 1 7 7 LEU HB2 H 1 1.856 0.020 . 2 . . . A 7 LEU HB2 . 17537 1 24 . 1 1 7 7 LEU HG H 1 1.066 0.020 . 1 . . . A 7 LEU HG . 17537 1 25 . 1 1 8 8 ALA H H 1 8.043 0.020 . 1 . . . A 8 ALA H . 17537 1 26 . 1 1 8 8 ALA HA H 1 4.188 0.020 . 1 . . . A 8 ALA HA . 17537 1 27 . 1 1 8 8 ALA HB1 H 1 1.658 0.020 . 1 . . . A 8 ALA HB1 . 17537 1 28 . 1 1 8 8 ALA HB2 H 1 1.658 0.020 . 1 . . . A 8 ALA HB2 . 17537 1 29 . 1 1 8 8 ALA HB3 H 1 1.658 0.020 . 1 . . . A 8 ALA HB3 . 17537 1 30 . 1 1 9 9 ILE H H 1 8.282 0.020 . 1 . . . A 9 ILE H . 17537 1 31 . 1 1 9 9 ILE HA H 1 3.769 0.020 . 1 . . . A 9 ILE HA . 17537 1 32 . 1 1 9 9 ILE HB H 1 2.047 0.020 . 1 . . . A 9 ILE HB . 17537 1 33 . 1 1 9 9 ILE HG13 H 1 1.059 0.020 . 2 . . . A 9 ILE HG13 . 17537 1 34 . 1 1 9 9 ILE HD11 H 1 0.942 0.020 . 1 . . . A 9 ILE HD11 . 17537 1 35 . 1 1 9 9 ILE HD12 H 1 0.942 0.020 . 1 . . . A 9 ILE HD12 . 17537 1 36 . 1 1 9 9 ILE HD13 H 1 0.942 0.020 . 1 . . . A 9 ILE HD13 . 17537 1 37 . 1 1 10 10 PHE H H 1 8.374 0.020 . 1 . . . A 10 PHE H . 17537 1 38 . 1 1 10 10 PHE HA H 1 4.395 0.020 . 1 . . . A 10 PHE HA . 17537 1 39 . 1 1 10 10 PHE HB3 H 1 3.383 0.020 . 2 . . . A 10 PHE HB3 . 17537 1 40 . 1 1 11 11 ALA H H 1 8.927 0.020 . 1 . . . A 11 ALA H . 17537 1 41 . 1 1 11 11 ALA HA H 1 4.021 0.020 . 1 . . . A 11 ALA HA . 17537 1 42 . 1 1 11 11 ALA HB1 H 1 1.663 0.020 . 1 . . . A 11 ALA HB1 . 17537 1 43 . 1 1 11 11 ALA HB2 H 1 1.663 0.020 . 1 . . . A 11 ALA HB2 . 17537 1 44 . 1 1 11 11 ALA HB3 H 1 1.663 0.020 . 1 . . . A 11 ALA HB3 . 17537 1 45 . 1 1 12 12 ASN H H 1 8.136 0.020 . 1 . . . A 12 ASN H . 17537 1 46 . 1 1 12 12 ASN HA H 1 4.578 0.020 . 1 . . . A 12 ASN HA . 17537 1 47 . 1 1 12 12 ASN HB2 H 1 3.061 0.020 . 2 . . . A 12 ASN HB2 . 17537 1 48 . 1 1 12 12 ASN HB3 H 1 2.813 0.020 . 2 . . . A 12 ASN HB3 . 17537 1 49 . 1 1 12 12 ASN HD21 H 1 7.476 0.020 . 2 . . . A 12 ASN HD21 . 17537 1 50 . 1 1 12 12 ASN HD22 H 1 6.603 0.020 . 2 . . . A 12 ASN HD22 . 17537 1 51 . 1 1 13 13 MET H H 1 8.564 0.020 . 1 . . . A 13 MET H . 17537 1 52 . 1 1 13 13 MET HA H 1 4.178 0.020 . 1 . . . A 13 MET HA . 17537 1 53 . 1 1 13 13 MET HB2 H 1 2.227 0.020 . 2 . . . A 13 MET HB2 . 17537 1 54 . 1 1 13 13 MET HB3 H 1 2.357 0.020 . 2 . . . A 13 MET HB3 . 17537 1 55 . 1 1 13 13 MET HG2 H 1 2.826 0.020 . 2 . . . A 13 MET HG2 . 17537 1 56 . 1 1 14 14 LEU H H 1 8.624 0.020 . 1 . . . A 14 LEU H . 17537 1 57 . 1 1 14 14 LEU HA H 1 4.086 0.020 . 1 . . . A 14 LEU HA . 17537 1 58 . 1 1 14 14 LEU HB2 H 1 1.704 0.020 . 2 . . . A 14 LEU HB2 . 17537 1 59 . 1 1 14 14 LEU HB3 H 1 1.602 0.020 . 2 . . . A 14 LEU HB3 . 17537 1 60 . 1 1 14 14 LEU HD11 H 1 1.219 0.020 . 2 . . . A 14 LEU HD11 . 17537 1 61 . 1 1 14 14 LEU HD12 H 1 1.219 0.020 . 2 . . . A 14 LEU HD12 . 17537 1 62 . 1 1 14 14 LEU HD13 H 1 1.219 0.020 . 2 . . . A 14 LEU HD13 . 17537 1 63 . 1 1 14 14 LEU HD21 H 1 1.219 0.020 . 2 . . . A 14 LEU HD21 . 17537 1 64 . 1 1 14 14 LEU HD22 H 1 1.219 0.020 . 2 . . . A 14 LEU HD22 . 17537 1 65 . 1 1 14 14 LEU HD23 H 1 1.219 0.020 . 2 . . . A 14 LEU HD23 . 17537 1 66 . 1 1 15 15 GLY H H 1 8.437 0.020 . 1 . . . A 15 GLY H . 17537 1 67 . 1 1 15 15 GLY HA2 H 1 3.966 0.020 . 2 . . . A 15 GLY HA2 . 17537 1 68 . 1 1 15 15 GLY HA3 H 1 3.893 0.020 . 2 . . . A 15 GLY HA3 . 17537 1 69 . 1 1 16 16 VAL H H 1 8.499 0.020 . 1 . . . A 16 VAL H . 17537 1 70 . 1 1 16 16 VAL HA H 1 3.848 0.020 . 1 . . . A 16 VAL HA . 17537 1 71 . 1 1 16 16 VAL HB H 1 2.271 0.020 . 1 . . . A 16 VAL HB . 17537 1 72 . 1 1 16 16 VAL HG11 H 1 1.214 0.020 . 2 . . . A 16 VAL HG11 . 17537 1 73 . 1 1 16 16 VAL HG12 H 1 1.214 0.020 . 2 . . . A 16 VAL HG12 . 17537 1 74 . 1 1 16 16 VAL HG13 H 1 1.214 0.020 . 2 . . . A 16 VAL HG13 . 17537 1 75 . 1 1 16 16 VAL HG21 H 1 1.132 0.020 . 2 . . . A 16 VAL HG21 . 17537 1 76 . 1 1 16 16 VAL HG22 H 1 1.132 0.020 . 2 . . . A 16 VAL HG22 . 17537 1 77 . 1 1 16 16 VAL HG23 H 1 1.132 0.020 . 2 . . . A 16 VAL HG23 . 17537 1 78 . 1 1 17 17 SER H H 1 8.087 0.020 . 1 . . . A 17 SER H . 17537 1 79 . 1 1 17 17 SER HA H 1 4.283 0.020 . 1 . . . A 17 SER HA . 17537 1 80 . 1 1 17 17 SER HB2 H 1 4.027 0.020 . 2 . . . A 17 SER HB2 . 17537 1 81 . 1 1 18 18 LEU H H 1 8.318 0.020 . 1 . . . A 18 LEU H . 17537 1 82 . 1 1 18 18 LEU HA H 1 4.224 0.020 . 1 . . . A 18 LEU HA . 17537 1 83 . 1 1 18 18 LEU HB2 H 1 1.963 0.020 . 2 . . . A 18 LEU HB2 . 17537 1 84 . 1 1 18 18 LEU HB3 H 1 1.908 0.020 . 2 . . . A 18 LEU HB3 . 17537 1 85 . 1 1 18 18 LEU HG H 1 1.790 0.020 . 1 . . . A 18 LEU HG . 17537 1 86 . 1 1 18 18 LEU HD11 H 1 1.006 0.020 . 2 . . . A 18 LEU HD11 . 17537 1 87 . 1 1 18 18 LEU HD12 H 1 1.006 0.020 . 2 . . . A 18 LEU HD12 . 17537 1 88 . 1 1 18 18 LEU HD13 H 1 1.006 0.020 . 2 . . . A 18 LEU HD13 . 17537 1 89 . 1 1 18 18 LEU HD21 H 1 1.006 0.020 . 2 . . . A 18 LEU HD21 . 17537 1 90 . 1 1 18 18 LEU HD22 H 1 1.006 0.020 . 2 . . . A 18 LEU HD22 . 17537 1 91 . 1 1 18 18 LEU HD23 H 1 1.006 0.020 . 2 . . . A 18 LEU HD23 . 17537 1 92 . 1 1 19 19 PHE H H 1 8.201 0.020 . 1 . . . A 19 PHE H . 17537 1 93 . 1 1 19 19 PHE HA H 1 4.239 0.020 . 1 . . . A 19 PHE HA . 17537 1 94 . 1 1 19 19 PHE HB2 H 1 3.480 0.020 . 2 . . . A 19 PHE HB2 . 17537 1 95 . 1 1 19 19 PHE HB3 H 1 3.368 0.020 . 2 . . . A 19 PHE HB3 . 17537 1 96 . 1 1 19 19 PHE HD1 H 1 7.278 0.020 . 3 . . . A 19 PHE HD1 . 17537 1 97 . 1 1 19 19 PHE HD2 H 1 7.312 0.020 . 3 . . . A 19 PHE HD2 . 17537 1 98 . 1 1 20 20 LEU H H 1 8.553 0.020 . 1 . . . A 20 LEU H . 17537 1 99 . 1 1 20 20 LEU HA H 1 3.941 0.020 . 1 . . . A 20 LEU HA . 17537 1 100 . 1 1 20 20 LEU HB3 H 1 1.658 0.020 . 2 . . . A 20 LEU HB3 . 17537 1 101 . 1 1 20 20 LEU HD11 H 1 1.045 0.020 . 2 . . . A 20 LEU HD11 . 17537 1 102 . 1 1 20 20 LEU HD12 H 1 1.045 0.020 . 2 . . . A 20 LEU HD12 . 17537 1 103 . 1 1 20 20 LEU HD13 H 1 1.045 0.020 . 2 . . . A 20 LEU HD13 . 17537 1 104 . 1 1 20 20 LEU HD21 H 1 1.045 0.020 . 2 . . . A 20 LEU HD21 . 17537 1 105 . 1 1 20 20 LEU HD22 H 1 1.045 0.020 . 2 . . . A 20 LEU HD22 . 17537 1 106 . 1 1 20 20 LEU HD23 H 1 1.045 0.020 . 2 . . . A 20 LEU HD23 . 17537 1 107 . 1 1 21 21 LEU H H 1 8.070 0.020 . 1 . . . A 21 LEU H . 17537 1 108 . 1 1 21 21 LEU HA H 1 4.149 0.020 . 1 . . . A 21 LEU HA . 17537 1 109 . 1 1 21 21 LEU HB2 H 1 1.961 0.020 . 2 . . . A 21 LEU HB2 . 17537 1 110 . 1 1 21 21 LEU HB3 H 1 1.886 0.020 . 2 . . . A 21 LEU HB3 . 17537 1 111 . 1 1 21 21 LEU HD21 H 1 1.036 0.020 . 2 . . . A 21 LEU HD21 . 17537 1 112 . 1 1 21 21 LEU HD22 H 1 1.036 0.020 . 2 . . . A 21 LEU HD22 . 17537 1 113 . 1 1 21 21 LEU HD23 H 1 1.036 0.020 . 2 . . . A 21 LEU HD23 . 17537 1 114 . 1 1 22 22 VAL H H 1 8.231 0.020 . 1 . . . A 22 VAL H . 17537 1 115 . 1 1 22 22 VAL HA H 1 3.730 0.020 . 1 . . . A 22 VAL HA . 17537 1 116 . 1 1 22 22 VAL HB H 1 2.376 0.020 . 1 . . . A 22 VAL HB . 17537 1 117 . 1 1 22 22 VAL HG11 H 1 1.203 0.020 . 2 . . . A 22 VAL HG11 . 17537 1 118 . 1 1 22 22 VAL HG12 H 1 1.203 0.020 . 2 . . . A 22 VAL HG12 . 17537 1 119 . 1 1 22 22 VAL HG13 H 1 1.203 0.020 . 2 . . . A 22 VAL HG13 . 17537 1 120 . 1 1 22 22 VAL HG21 H 1 1.042 0.020 . 2 . . . A 22 VAL HG21 . 17537 1 121 . 1 1 22 22 VAL HG22 H 1 1.042 0.020 . 2 . . . A 22 VAL HG22 . 17537 1 122 . 1 1 22 22 VAL HG23 H 1 1.042 0.020 . 2 . . . A 22 VAL HG23 . 17537 1 123 . 1 1 23 23 VAL H H 1 8.268 0.020 . 1 . . . A 23 VAL H . 17537 1 124 . 1 1 23 23 VAL HA H 1 3.558 0.020 . 1 . . . A 23 VAL HA . 17537 1 125 . 1 1 23 23 VAL HB H 1 2.199 0.020 . 1 . . . A 23 VAL HB . 17537 1 126 . 1 1 23 23 VAL HG11 H 1 0.984 0.020 . 2 . . . A 23 VAL HG11 . 17537 1 127 . 1 1 23 23 VAL HG12 H 1 0.984 0.020 . 2 . . . A 23 VAL HG12 . 17537 1 128 . 1 1 23 23 VAL HG13 H 1 0.984 0.020 . 2 . . . A 23 VAL HG13 . 17537 1 129 . 1 1 23 23 VAL HG21 H 1 0.701 0.020 . 2 . . . A 23 VAL HG21 . 17537 1 130 . 1 1 23 23 VAL HG22 H 1 0.701 0.020 . 2 . . . A 23 VAL HG22 . 17537 1 131 . 1 1 23 23 VAL HG23 H 1 0.701 0.020 . 2 . . . A 23 VAL HG23 . 17537 1 132 . 1 1 24 24 LEU H H 1 8.677 0.020 . 1 . . . A 24 LEU H . 17537 1 133 . 1 1 24 24 LEU HA H 1 4.205 0.020 . 1 . . . A 24 LEU HA . 17537 1 134 . 1 1 24 24 LEU HB2 H 1 1.957 0.020 . 2 . . . A 24 LEU HB2 . 17537 1 135 . 1 1 24 24 LEU HB3 H 1 1.918 0.020 . 2 . . . A 24 LEU HB3 . 17537 1 136 . 1 1 24 24 LEU HG H 1 1.830 0.020 . 1 . . . A 24 LEU HG . 17537 1 137 . 1 1 25 25 TYR H H 1 8.977 0.020 . 1 . . . A 25 TYR H . 17537 1 138 . 1 1 25 25 TYR HA H 1 4.185 0.020 . 1 . . . A 25 TYR HA . 17537 1 139 . 1 1 25 25 TYR HB2 H 1 3.319 0.020 . 2 . . . A 25 TYR HB2 . 17537 1 140 . 1 1 25 25 TYR HB3 H 1 3.224 0.020 . 2 . . . A 25 TYR HB3 . 17537 1 141 . 1 1 25 25 TYR HD2 H 1 7.071 0.020 . 3 . . . A 25 TYR HD2 . 17537 1 142 . 1 1 26 26 HIS H H 1 8.478 0.020 . 1 . . . A 26 HIS H . 17537 1 143 . 1 1 26 26 HIS HA H 1 4.176 0.020 . 1 . . . A 26 HIS HA . 17537 1 144 . 1 1 26 26 HIS HB2 H 1 3.492 0.020 . 2 . . . A 26 HIS HB2 . 17537 1 145 . 1 1 27 27 TYR H H 1 8.574 0.020 . 1 . . . A 27 TYR H . 17537 1 146 . 1 1 27 27 TYR HA H 1 4.088 0.020 . 1 . . . A 27 TYR HA . 17537 1 147 . 1 1 27 27 TYR HB2 H 1 3.377 0.020 . 2 . . . A 27 TYR HB2 . 17537 1 148 . 1 1 27 27 TYR HB3 H 1 3.228 0.020 . 2 . . . A 27 TYR HB3 . 17537 1 149 . 1 1 27 27 TYR HD2 H 1 7.115 0.020 . 3 . . . A 27 TYR HD2 . 17537 1 150 . 1 1 28 28 VAL H H 1 8.620 0.020 . 1 . . . A 28 VAL H . 17537 1 151 . 1 1 28 28 VAL HA H 1 3.598 0.020 . 1 . . . A 28 VAL HA . 17537 1 152 . 1 1 28 28 VAL HB H 1 2.208 0.020 . 1 . . . A 28 VAL HB . 17537 1 153 . 1 1 28 28 VAL HG11 H 1 1.029 0.020 . 2 . . . A 28 VAL HG11 . 17537 1 154 . 1 1 28 28 VAL HG12 H 1 1.029 0.020 . 2 . . . A 28 VAL HG12 . 17537 1 155 . 1 1 28 28 VAL HG13 H 1 1.029 0.020 . 2 . . . A 28 VAL HG13 . 17537 1 156 . 1 1 28 28 VAL HG21 H 1 1.212 0.020 . 2 . . . A 28 VAL HG21 . 17537 1 157 . 1 1 28 28 VAL HG22 H 1 1.212 0.020 . 2 . . . A 28 VAL HG22 . 17537 1 158 . 1 1 28 28 VAL HG23 H 1 1.212 0.020 . 2 . . . A 28 VAL HG23 . 17537 1 159 . 1 1 29 29 ALA H H 1 8.238 0.020 . 1 . . . A 29 ALA H . 17537 1 160 . 1 1 29 29 ALA HA H 1 4.032 0.020 . 1 . . . A 29 ALA HA . 17537 1 161 . 1 1 29 29 ALA HB1 H 1 1.331 0.020 . 1 . . . A 29 ALA HB1 . 17537 1 162 . 1 1 29 29 ALA HB2 H 1 1.331 0.020 . 1 . . . A 29 ALA HB2 . 17537 1 163 . 1 1 29 29 ALA HB3 H 1 1.331 0.020 . 1 . . . A 29 ALA HB3 . 17537 1 164 . 1 1 30 30 VAL H H 1 7.779 0.020 . 1 . . . A 30 VAL H . 17537 1 165 . 1 1 30 30 VAL HA H 1 3.911 0.020 . 1 . . . A 30 VAL HA . 17537 1 166 . 1 1 30 30 VAL HB H 1 2.073 0.020 . 1 . . . A 30 VAL HB . 17537 1 167 . 1 1 30 30 VAL HG11 H 1 0.904 0.020 . 2 . . . A 30 VAL HG11 . 17537 1 168 . 1 1 30 30 VAL HG12 H 1 0.904 0.020 . 2 . . . A 30 VAL HG12 . 17537 1 169 . 1 1 30 30 VAL HG13 H 1 0.904 0.020 . 2 . . . A 30 VAL HG13 . 17537 1 170 . 1 1 30 30 VAL HG21 H 1 0.904 0.020 . 2 . . . A 30 VAL HG21 . 17537 1 171 . 1 1 30 30 VAL HG22 H 1 0.904 0.020 . 2 . . . A 30 VAL HG22 . 17537 1 172 . 1 1 30 30 VAL HG23 H 1 0.904 0.020 . 2 . . . A 30 VAL HG23 . 17537 1 173 . 1 1 31 31 ASN H H 1 7.494 0.020 . 1 . . . A 31 ASN H . 17537 1 174 . 1 1 31 31 ASN HB2 H 1 2.665 0.020 . 2 . . . A 31 ASN HB2 . 17537 1 175 . 1 1 31 31 ASN HB3 H 1 2.418 0.020 . 2 . . . A 31 ASN HB3 . 17537 1 176 . 1 1 31 31 ASN HD21 H 1 6.231 0.020 . 2 . . . A 31 ASN HD21 . 17537 1 177 . 1 1 31 31 ASN HD22 H 1 6.868 0.020 . 2 . . . A 31 ASN HD22 . 17537 1 178 . 1 1 32 32 ASN H H 1 7.606 0.020 . 1 . . . A 32 ASN H . 17537 1 179 . 1 1 32 32 ASN HA H 1 4.858 0.020 . 1 . . . A 32 ASN HA . 17537 1 180 . 1 1 32 32 ASN HB2 H 1 2.904 0.020 . 2 . . . A 32 ASN HB2 . 17537 1 181 . 1 1 32 32 ASN HD21 H 1 7.769 0.020 . 2 . . . A 32 ASN HD21 . 17537 1 182 . 1 1 32 32 ASN HD22 H 1 6.833 0.020 . 2 . . . A 32 ASN HD22 . 17537 1 183 . 1 1 33 33 PRO HA H 1 4.484 0.020 . 1 . . . A 33 PRO HA . 17537 1 184 . 1 1 33 33 PRO HD2 H 1 3.965 0.020 . 2 . . . A 33 PRO HD2 . 17537 1 185 . 1 1 33 33 PRO HD3 H 1 3.860 0.020 . 2 . . . A 33 PRO HD3 . 17537 1 186 . 1 1 34 34 LYS H H 1 8.091 0.020 . 1 . . . A 34 LYS H . 17537 1 187 . 1 1 34 34 LYS HA H 1 4.362 0.020 . 1 . . . A 34 LYS HA . 17537 1 188 . 1 1 34 34 LYS HB2 H 1 1.961 0.020 . 2 . . . A 34 LYS HB2 . 17537 1 189 . 1 1 34 34 LYS HG2 H 1 1.535 0.020 . 2 . . . A 34 LYS HG2 . 17537 1 190 . 1 1 34 34 LYS HG3 H 1 1.476 0.020 . 2 . . . A 34 LYS HG3 . 17537 1 191 . 1 1 34 34 LYS HD2 H 1 1.797 0.020 . 2 . . . A 34 LYS HD2 . 17537 1 192 . 1 1 35 35 LYS H H 1 7.911 0.020 . 1 . . . A 35 LYS H . 17537 1 193 . 1 1 35 35 LYS HA H 1 4.302 0.020 . 1 . . . A 35 LYS HA . 17537 1 194 . 1 1 35 35 LYS HB2 H 1 1.859 0.020 . 2 . . . A 35 LYS HB2 . 17537 1 195 . 1 1 35 35 LYS HB3 H 1 1.941 0.020 . 2 . . . A 35 LYS HB3 . 17537 1 196 . 1 1 35 35 LYS HG3 H 1 1.510 0.020 . 2 . . . A 35 LYS HG3 . 17537 1 197 . 1 1 35 35 LYS HD2 H 1 1.792 0.020 . 2 . . . A 35 LYS HD2 . 17537 1 198 . 1 1 36 36 GLN H H 1 8.142 0.020 . 1 . . . A 36 GLN H . 17537 1 199 . 1 1 36 36 GLN HA H 1 4.440 0.020 . 1 . . . A 36 GLN HA . 17537 1 200 . 1 1 36 36 GLN HB2 H 1 2.200 0.020 . 2 . . . A 36 GLN HB2 . 17537 1 201 . 1 1 36 36 GLN HB3 H 1 2.034 0.020 . 2 . . . A 36 GLN HB3 . 17537 1 202 . 1 1 36 36 GLN HG2 H 1 2.410 0.020 . 2 . . . A 36 GLN HG2 . 17537 1 stop_ save_