################################### # 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 17394 _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' . . . 17394 1 2 '2D 1H-1H NOESY' . . . 17394 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 4.070 0.02 . 1 . . . A 1 LYS HA . 17394 1 2 . 1 1 1 1 LYS HB2 H 1 1.902 0.02 . 1 . . . A 1 LYS HB2 . 17394 1 3 . 1 1 1 1 LYS HB3 H 1 1.902 0.02 . 1 . . . A 1 LYS HB3 . 17394 1 4 . 1 1 1 1 LYS HG2 H 1 1.451 0.02 . 1 . . . A 1 LYS HG2 . 17394 1 5 . 1 1 1 1 LYS HG3 H 1 1.451 0.02 . 1 . . . A 1 LYS HG3 . 17394 1 6 . 1 1 1 1 LYS HD2 H 1 1.698 0.02 . 2 . . . A 1 LYS HD2 . 17394 1 7 . 1 1 1 1 LYS HD3 H 1 1.698 0.02 . 2 . . . A 1 LYS HD3 . 17394 1 8 . 1 1 1 1 LYS HE2 H 1 3.000 0.02 . 2 . . . A 1 LYS HE2 . 17394 1 9 . 1 1 1 1 LYS HE3 H 1 3.000 0.02 . 2 . . . A 1 LYS HE3 . 17394 1 10 . 1 1 2 2 CYS H H 1 8.741 0.02 . 1 . . . A 2 CYS H . 17394 1 11 . 1 1 2 2 CYS HB2 H 1 3.207 0.02 . 2 . . . A 2 CYS HB2 . 17394 1 12 . 1 1 2 2 CYS HB3 H 1 3.171 0.02 . 2 . . . A 2 CYS HB3 . 17394 1 13 . 1 1 3 3 ASN H H 1 8.672 0.02 . 1 . . . A 3 ASN H . 17394 1 14 . 1 1 3 3 ASN HB2 H 1 2.941 0.02 . 2 . . . A 3 ASN HB2 . 17394 1 15 . 1 1 3 3 ASN HB3 H 1 2.814 0.02 . 2 . . . A 3 ASN HB3 . 17394 1 16 . 1 1 3 3 ASN HD21 H 1 6.763 0.02 . 2 . . . A 3 ASN HD21 . 17394 1 17 . 1 1 3 3 ASN HD22 H 1 7.457 0.02 . 2 . . . A 3 ASN HD22 . 17394 1 18 . 1 1 4 4 THR H H 1 7.404 0.02 . 1 . . . A 4 THR H . 17394 1 19 . 1 1 4 4 THR HG21 H 1 1.240 0.02 . 1 . . . A 4 THR HG21 . 17394 1 20 . 1 1 4 4 THR HG22 H 1 1.240 0.02 . 1 . . . A 4 THR HG22 . 17394 1 21 . 1 1 4 4 THR HG23 H 1 1.240 0.02 . 1 . . . A 4 THR HG23 . 17394 1 22 . 1 1 5 5 ALA H H 1 8.694 0.02 . 1 . . . A 5 ALA H . 17394 1 23 . 1 1 5 5 ALA HA H 1 4.117 0.02 . 1 . . . A 5 ALA HA . 17394 1 24 . 1 1 5 5 ALA HB1 H 1 1.492 0.02 . 1 . . . A 5 ALA HB1 . 17394 1 25 . 1 1 5 5 ALA HB2 H 1 1.492 0.02 . 1 . . . A 5 ALA HB2 . 17394 1 26 . 1 1 5 5 ALA HB3 H 1 1.492 0.02 . 1 . . . A 5 ALA HB3 . 17394 1 27 . 1 1 6 6 THR H H 1 7.979 0.02 . 1 . . . A 6 THR H . 17394 1 28 . 1 1 6 6 THR HA H 1 4.120 0.02 . 1 . . . A 6 THR HA . 17394 1 29 . 1 1 6 6 THR HB H 1 4.169 0.02 . 1 . . . A 6 THR HB . 17394 1 30 . 1 1 6 6 THR HG21 H 1 1.201 0.02 . 1 . . . A 6 THR HG21 . 17394 1 31 . 1 1 6 6 THR HG22 H 1 1.201 0.02 . 1 . . . A 6 THR HG22 . 17394 1 32 . 1 1 6 6 THR HG23 H 1 1.201 0.02 . 1 . . . A 6 THR HG23 . 17394 1 33 . 1 1 7 7 CYS H H 1 7.844 0.02 . 1 . . . A 7 CYS H . 17394 1 34 . 1 1 7 7 CYS HA H 1 4.455 0.02 . 1 . . . A 7 CYS HA . 17394 1 35 . 1 1 7 7 CYS HB2 H 1 3.403 0.02 . 1 . . . A 7 CYS HB2 . 17394 1 36 . 1 1 7 7 CYS HB3 H 1 3.403 0.02 . 1 . . . A 7 CYS HB3 . 17394 1 37 . 1 1 8 8 ALA H H 1 8.127 0.02 . 1 . . . A 8 ALA H . 17394 1 38 . 1 1 8 8 ALA HA H 1 4.012 0.02 . 1 . . . A 8 ALA HA . 17394 1 39 . 1 1 8 8 ALA HB1 H 1 1.468 0.02 . 1 . . . A 8 ALA HB1 . 17394 1 40 . 1 1 8 8 ALA HB2 H 1 1.468 0.02 . 1 . . . A 8 ALA HB2 . 17394 1 41 . 1 1 8 8 ALA HB3 H 1 1.468 0.02 . 1 . . . A 8 ALA HB3 . 17394 1 42 . 1 1 9 9 THR H H 1 8.373 0.02 . 1 . . . A 9 THR H . 17394 1 43 . 1 1 9 9 THR HA H 1 3.833 0.02 . 1 . . . A 9 THR HA . 17394 1 44 . 1 1 9 9 THR HB H 1 4.222 0.02 . 1 . . . A 9 THR HB . 17394 1 45 . 1 1 9 9 THR HG21 H 1 1.286 0.02 . 1 . . . A 9 THR HG21 . 17394 1 46 . 1 1 9 9 THR HG22 H 1 1.286 0.02 . 1 . . . A 9 THR HG22 . 17394 1 47 . 1 1 9 9 THR HG23 H 1 1.286 0.02 . 1 . . . A 9 THR HG23 . 17394 1 48 . 1 1 10 10 GLN H H 1 7.667 0.02 . 1 . . . A 10 GLN H . 17394 1 49 . 1 1 10 10 GLN HA H 1 4.082 0.02 . 1 . . . A 10 GLN HA . 17394 1 50 . 1 1 10 10 GLN HB2 H 1 2.217 0.02 . 2 . . . A 10 GLN HB2 . 17394 1 51 . 1 1 10 10 GLN HB3 H 1 2.142 0.02 . 2 . . . A 10 GLN HB3 . 17394 1 52 . 1 1 10 10 GLN HG2 H 1 2.505 0.02 . 2 . . . A 10 GLN HG2 . 17394 1 53 . 1 1 10 10 GLN HG3 H 1 2.389 0.02 . 2 . . . A 10 GLN HG3 . 17394 1 54 . 1 1 10 10 GLN HE21 H 1 6.761 0.02 . 2 . . . A 10 GLN HE21 . 17394 1 55 . 1 1 10 10 GLN HE22 H 1 7.401 0.02 . 2 . . . A 10 GLN HE22 . 17394 1 56 . 1 1 11 11 ARG H H 1 7.917 0.02 . 1 . . . A 11 ARG H . 17394 1 57 . 1 1 11 11 ARG HA H 1 4.132 0.02 . 1 . . . A 11 ARG HA . 17394 1 58 . 1 1 11 11 ARG HB2 H 1 1.950 0.02 . 2 . . . A 11 ARG HB2 . 17394 1 59 . 1 1 11 11 ARG HB3 H 1 1.848 0.02 . 2 . . . A 11 ARG HB3 . 17394 1 60 . 1 1 11 11 ARG HG2 H 1 1.699 0.02 . 1 . . . A 11 ARG HG2 . 17394 1 61 . 1 1 11 11 ARG HG3 H 1 1.699 0.02 . 1 . . . A 11 ARG HG3 . 17394 1 62 . 1 1 11 11 ARG HD2 H 1 3.215 0.02 . 1 . . . A 11 ARG HD2 . 17394 1 63 . 1 1 11 11 ARG HD3 H 1 3.163 0.02 . 1 . . . A 11 ARG HD3 . 17394 1 64 . 1 1 11 11 ARG HE H 1 7.086 0.02 . 1 . . . A 11 ARG HE . 17394 1 65 . 1 1 12 12 LEU H H 1 8.167 0.02 . 1 . . . A 12 LEU H . 17394 1 66 . 1 1 12 12 LEU HA H 1 4.133 0.02 . 1 . . . A 12 LEU HA . 17394 1 67 . 1 1 12 12 LEU HB2 H 1 1.854 0.02 . 2 . . . A 12 LEU HB2 . 17394 1 68 . 1 1 12 12 LEU HB3 H 1 1.710 0.02 . 2 . . . A 12 LEU HB3 . 17394 1 69 . 1 1 12 12 LEU HG H 1 1.453 0.02 . 1 . . . A 12 LEU HG . 17394 1 70 . 1 1 12 12 LEU HD11 H 1 0.894 0.02 . 2 . . . A 12 LEU HD11 . 17394 1 71 . 1 1 12 12 LEU HD12 H 1 0.894 0.02 . 2 . . . A 12 LEU HD12 . 17394 1 72 . 1 1 12 12 LEU HD13 H 1 0.894 0.02 . 2 . . . A 12 LEU HD13 . 17394 1 73 . 1 1 12 12 LEU HD21 H 1 0.956 0.02 . 2 . . . A 12 LEU HD21 . 17394 1 74 . 1 1 12 12 LEU HD22 H 1 0.956 0.02 . 2 . . . A 12 LEU HD22 . 17394 1 75 . 1 1 12 12 LEU HD23 H 1 0.956 0.02 . 2 . . . A 12 LEU HD23 . 17394 1 76 . 1 1 13 13 ALA H H 1 8.435 0.02 . 1 . . . A 13 ALA H . 17394 1 77 . 1 1 13 13 ALA HA H 1 3.963 0.02 . 1 . . . A 13 ALA HA . 17394 1 78 . 1 1 13 13 ALA HB1 H 1 1.513 0.02 . 1 . . . A 13 ALA HB1 . 17394 1 79 . 1 1 13 13 ALA HB2 H 1 1.513 0.02 . 1 . . . A 13 ALA HB2 . 17394 1 80 . 1 1 13 13 ALA HB3 H 1 1.513 0.02 . 1 . . . A 13 ALA HB3 . 17394 1 81 . 1 1 14 14 ASN H H 1 8.120 0.02 . 1 . . . A 14 ASN H . 17394 1 82 . 1 1 14 14 ASN HA H 1 4.392 0.02 . 1 . . . A 14 ASN HA . 17394 1 83 . 1 1 14 14 ASN HB2 H 1 2.943 0.02 . 2 . . . A 14 ASN HB2 . 17394 1 84 . 1 1 14 14 ASN HB3 H 1 2.845 0.02 . 2 . . . A 14 ASN HB3 . 17394 1 85 . 1 1 14 14 ASN HD21 H 1 6.928 0.02 . 2 . . . A 14 ASN HD21 . 17394 1 86 . 1 1 14 14 ASN HD22 H 1 7.651 0.02 . 2 . . . A 14 ASN HD22 . 17394 1 87 . 1 1 15 15 PHE H H 1 8.088 0.02 . 1 . . . A 15 PHE H . 17394 1 88 . 1 1 15 15 PHE HA H 1 4.393 0.02 . 1 . . . A 15 PHE HA . 17394 1 89 . 1 1 15 15 PHE HB2 H 1 3.359 0.02 . 2 . . . A 15 PHE HB2 . 17394 1 90 . 1 1 15 15 PHE HB3 H 1 3.300 0.02 . 2 . . . A 15 PHE HB3 . 17394 1 91 . 1 1 15 15 PHE HD1 H 1 7.207 0.02 . 1 . . . A 15 PHE HD1 . 17394 1 92 . 1 1 15 15 PHE HD2 H 1 7.207 0.02 . 1 . . . A 15 PHE HD2 . 17394 1 93 . 1 1 15 15 PHE HE1 H 1 7.254 0.02 . 1 . . . A 15 PHE HE1 . 17394 1 94 . 1 1 15 15 PHE HE2 H 1 7.254 0.02 . 1 . . . A 15 PHE HE2 . 17394 1 95 . 1 1 16 16 LEU H H 1 8.393 0.02 . 1 . . . A 16 LEU H . 17394 1 96 . 1 1 16 16 LEU HA H 1 3.888 0.02 . 1 . . . A 16 LEU HA . 17394 1 97 . 1 1 16 16 LEU HB2 H 1 2.014 0.02 . 2 . . . A 16 LEU HB2 . 17394 1 98 . 1 1 16 16 LEU HB3 H 1 1.935 0.02 . 2 . . . A 16 LEU HB3 . 17394 1 99 . 1 1 16 16 LEU HD11 H 1 0.900 0.02 . 2 . . . A 16 LEU HD11 . 17394 1 100 . 1 1 16 16 LEU HD12 H 1 0.900 0.02 . 2 . . . A 16 LEU HD12 . 17394 1 101 . 1 1 16 16 LEU HD13 H 1 0.900 0.02 . 2 . . . A 16 LEU HD13 . 17394 1 102 . 1 1 16 16 LEU HD21 H 1 0.961 0.02 . 2 . . . A 16 LEU HD21 . 17394 1 103 . 1 1 16 16 LEU HD22 H 1 0.961 0.02 . 2 . . . A 16 LEU HD22 . 17394 1 104 . 1 1 16 16 LEU HD23 H 1 0.961 0.02 . 2 . . . A 16 LEU HD23 . 17394 1 105 . 1 1 17 17 VAL H H 1 8.077 0.02 . 1 . . . A 17 VAL H . 17394 1 106 . 1 1 17 17 VAL HA H 1 3.805 0.02 . 1 . . . A 17 VAL HA . 17394 1 107 . 1 1 17 17 VAL HB H 1 2.044 0.02 . 1 . . . A 17 VAL HB . 17394 1 108 . 1 1 17 17 VAL HG11 H 1 0.766 0.02 . 2 . . . A 17 VAL HG11 . 17394 1 109 . 1 1 17 17 VAL HG12 H 1 0.766 0.02 . 2 . . . A 17 VAL HG12 . 17394 1 110 . 1 1 17 17 VAL HG13 H 1 0.766 0.02 . 2 . . . A 17 VAL HG13 . 17394 1 111 . 1 1 17 17 VAL HG21 H 1 0.961 0.02 . 2 . . . A 17 VAL HG21 . 17394 1 112 . 1 1 17 17 VAL HG22 H 1 0.961 0.02 . 2 . . . A 17 VAL HG22 . 17394 1 113 . 1 1 17 17 VAL HG23 H 1 0.961 0.02 . 2 . . . A 17 VAL HG23 . 17394 1 114 . 1 1 18 18 HIS H H 1 7.751 0.02 . 1 . . . A 18 HIS H . 17394 1 115 . 1 1 18 18 HIS HA H 1 4.583 0.02 . 1 . . . A 18 HIS HA . 17394 1 116 . 1 1 18 18 HIS HB2 H 1 3.357 0.02 . 2 . . . A 18 HIS HB2 . 17394 1 117 . 1 1 18 18 HIS HB3 H 1 3.201 0.02 . 2 . . . A 18 HIS HB3 . 17394 1 118 . 1 1 18 18 HIS HD2 H 1 7.339 0.02 . 1 . . . A 18 HIS HD2 . 17394 1 119 . 1 1 18 18 HIS HE1 H 1 8.574 0.02 . 1 . . . A 18 HIS HE1 . 17394 1 120 . 1 1 19 19 SER H H 1 7.840 0.02 . 1 . . . A 19 SER H . 17394 1 121 . 1 1 19 19 SER HA H 1 4.303 0.02 . 1 . . . A 19 SER HA . 17394 1 122 . 1 1 19 19 SER HB2 H 1 3.683 0.02 . 2 . . . A 19 SER HB2 . 17394 1 123 . 1 1 19 19 SER HB3 H 1 3.641 0.02 . 2 . . . A 19 SER HB3 . 17394 1 124 . 1 1 20 20 SER H H 1 8.099 0.02 . 1 . . . A 20 SER H . 17394 1 125 . 1 1 20 20 SER HA H 1 4.201 0.02 . 1 . . . A 20 SER HA . 17394 1 126 . 1 1 20 20 SER HB2 H 1 3.855 0.02 . 1 . . . A 20 SER HB2 . 17394 1 127 . 1 1 20 20 SER HB3 H 1 3.855 0.02 . 1 . . . A 20 SER HB3 . 17394 1 128 . 1 1 21 21 ASN H H 1 8.099 0.02 . 1 . . . A 21 ASN H . 17394 1 129 . 1 1 21 21 ASN HA H 1 4.580 0.02 . 1 . . . A 21 ASN HA . 17394 1 130 . 1 1 21 21 ASN HB2 H 1 2.584 0.02 . 1 . . . A 21 ASN HB2 . 17394 1 131 . 1 1 21 21 ASN HB3 H 1 2.584 0.02 . 1 . . . A 21 ASN HB3 . 17394 1 132 . 1 1 21 21 ASN HD21 H 1 6.784 0.02 . 2 . . . A 21 ASN HD21 . 17394 1 133 . 1 1 21 21 ASN HD22 H 1 7.370 0.02 . 2 . . . A 21 ASN HD22 . 17394 1 134 . 1 1 22 22 ASN H H 1 8.180 0.02 . 1 . . . A 22 ASN H . 17394 1 135 . 1 1 22 22 ASN HB2 H 1 2.763 0.02 . 2 . . . A 22 ASN HB2 . 17394 1 136 . 1 1 22 22 ASN HB3 H 1 2.593 0.02 . 2 . . . A 22 ASN HB3 . 17394 1 137 . 1 1 22 22 ASN HD21 H 1 6.800 0.02 . 2 . . . A 22 ASN HD21 . 17394 1 138 . 1 1 22 22 ASN HD22 H 1 7.397 0.02 . 2 . . . A 22 ASN HD22 . 17394 1 139 . 1 1 23 23 PHE H H 1 8.175 0.02 . 1 . . . A 23 PHE H . 17394 1 140 . 1 1 23 23 PHE HA H 1 4.388 0.02 . 1 . . . A 23 PHE HA . 17394 1 141 . 1 1 23 23 PHE HB2 H 1 3.109 0.02 . 1 . . . A 23 PHE HB2 . 17394 1 142 . 1 1 23 23 PHE HB3 H 1 3.109 0.02 . 1 . . . A 23 PHE HB3 . 17394 1 143 . 1 1 23 23 PHE HD1 H 1 7.206 0.02 . 1 . . . A 23 PHE HD1 . 17394 1 144 . 1 1 23 23 PHE HD2 H 1 7.206 0.02 . 1 . . . A 23 PHE HD2 . 17394 1 145 . 1 1 23 23 PHE HE1 H 1 7.233 0.02 . 1 . . . A 23 PHE HE1 . 17394 1 146 . 1 1 23 23 PHE HE2 H 1 7.233 0.02 . 1 . . . A 23 PHE HE2 . 17394 1 147 . 1 1 24 24 GLY H H 1 8.476 0.02 . 1 . . . A 24 GLY H . 17394 1 148 . 1 1 24 24 GLY HA2 H 1 3.996 0.02 . 2 . . . A 24 GLY HA2 . 17394 1 149 . 1 1 24 24 GLY HA3 H 1 3.664 0.02 . 2 . . . A 24 GLY HA3 . 17394 1 150 . 1 1 25 25 ALA H H 1 7.874 0.02 . 1 . . . A 25 ALA H . 17394 1 151 . 1 1 25 25 ALA HA H 1 4.197 0.02 . 1 . . . A 25 ALA HA . 17394 1 152 . 1 1 25 25 ALA HB1 H 1 1.436 0.02 . 1 . . . A 25 ALA HB1 . 17394 1 153 . 1 1 25 25 ALA HB2 H 1 1.436 0.02 . 1 . . . A 25 ALA HB2 . 17394 1 154 . 1 1 25 25 ALA HB3 H 1 1.436 0.02 . 1 . . . A 25 ALA HB3 . 17394 1 155 . 1 1 26 26 ILE H H 1 7.853 0.02 . 1 . . . A 26 ILE H . 17394 1 156 . 1 1 26 26 ILE HA H 1 3.846 0.02 . 1 . . . A 26 ILE HA . 17394 1 157 . 1 1 26 26 ILE HB H 1 1.962 0.02 . 1 . . . A 26 ILE HB . 17394 1 158 . 1 1 26 26 ILE HG12 H 1 1.663 0.02 . 1 . . . A 26 ILE HG12 . 17394 1 159 . 1 1 26 26 ILE HG13 H 1 1.663 0.02 . 1 . . . A 26 ILE HG13 . 17394 1 160 . 1 1 26 26 ILE HG21 H 1 1.200 0.02 . 1 . . . A 26 ILE HG21 . 17394 1 161 . 1 1 26 26 ILE HG22 H 1 1.200 0.02 . 1 . . . A 26 ILE HG22 . 17394 1 162 . 1 1 26 26 ILE HG23 H 1 1.200 0.02 . 1 . . . A 26 ILE HG23 . 17394 1 163 . 1 1 26 26 ILE HD11 H 1 0.879 0.02 . 1 . . . A 26 ILE HD11 . 17394 1 164 . 1 1 26 26 ILE HD12 H 1 0.879 0.02 . 1 . . . A 26 ILE HD12 . 17394 1 165 . 1 1 26 26 ILE HD13 H 1 0.879 0.02 . 1 . . . A 26 ILE HD13 . 17394 1 166 . 1 1 27 27 LEU H H 1 8.004 0.02 . 1 . . . A 27 LEU H . 17394 1 167 . 1 1 27 27 LEU HA H 1 4.084 0.02 . 1 . . . A 27 LEU HA . 17394 1 168 . 1 1 27 27 LEU HB2 H 1 1.718 0.02 . 2 . . . A 27 LEU HB2 . 17394 1 169 . 1 1 27 27 LEU HB3 H 1 1.663 0.02 . 2 . . . A 27 LEU HB3 . 17394 1 170 . 1 1 27 27 LEU HG H 1 1.571 0.02 . 1 . . . A 27 LEU HG . 17394 1 171 . 1 1 27 27 LEU HD11 H 1 0.832 0.02 . 2 . . . A 27 LEU HD11 . 17394 1 172 . 1 1 27 27 LEU HD12 H 1 0.832 0.02 . 2 . . . A 27 LEU HD12 . 17394 1 173 . 1 1 27 27 LEU HD13 H 1 0.832 0.02 . 2 . . . A 27 LEU HD13 . 17394 1 174 . 1 1 28 28 SER H H 1 8.029 0.02 . 1 . . . A 28 SER H . 17394 1 175 . 1 1 28 28 SER HA H 1 4.325 0.02 . 1 . . . A 28 SER HA . 17394 1 176 . 1 1 28 28 SER HB2 H 1 3.929 0.02 . 1 . . . A 28 SER HB2 . 17394 1 177 . 1 1 28 28 SER HB3 H 1 3.929 0.02 . 1 . . . A 28 SER HB3 . 17394 1 178 . 1 1 29 29 SER H H 1 7.788 0.02 . 1 . . . A 29 SER H . 17394 1 179 . 1 1 29 29 SER HA H 1 4.527 0.02 . 1 . . . A 29 SER HA . 17394 1 180 . 1 1 29 29 SER HB2 H 1 4.007 0.02 . 2 . . . A 29 SER HB2 . 17394 1 181 . 1 1 29 29 SER HB3 H 1 3.967 0.02 . 2 . . . A 29 SER HB3 . 17394 1 182 . 1 1 30 30 THR H H 1 7.634 0.02 . 1 . . . A 30 THR H . 17394 1 183 . 1 1 30 30 THR HA H 1 4.489 0.02 . 1 . . . A 30 THR HA . 17394 1 184 . 1 1 30 30 THR HB H 1 4.335 0.02 . 1 . . . A 30 THR HB . 17394 1 185 . 1 1 30 30 THR HG21 H 1 1.260 0.02 . 1 . . . A 30 THR HG21 . 17394 1 186 . 1 1 30 30 THR HG22 H 1 1.260 0.02 . 1 . . . A 30 THR HG22 . 17394 1 187 . 1 1 30 30 THR HG23 H 1 1.260 0.02 . 1 . . . A 30 THR HG23 . 17394 1 188 . 1 1 31 31 ASN H H 1 8.409 0.02 . 1 . . . A 31 ASN H . 17394 1 189 . 1 1 31 31 ASN HB2 H 1 2.905 0.02 . 2 . . . A 31 ASN HB2 . 17394 1 190 . 1 1 31 31 ASN HB3 H 1 2.741 0.02 . 2 . . . A 31 ASN HB3 . 17394 1 191 . 1 1 31 31 ASN HD21 H 1 6.837 0.02 . 2 . . . A 31 ASN HD21 . 17394 1 192 . 1 1 31 31 ASN HD22 H 1 7.530 0.02 . 2 . . . A 31 ASN HD22 . 17394 1 193 . 1 1 32 32 VAL H H 1 8.000 0.02 . 1 . . . A 32 VAL H . 17394 1 194 . 1 1 32 32 VAL HA H 1 3.994 0.02 . 1 . . . A 32 VAL HA . 17394 1 195 . 1 1 32 32 VAL HB H 1 2.078 0.02 . 1 . . . A 32 VAL HB . 17394 1 196 . 1 1 32 32 VAL HG11 H 1 0.938 0.02 . 2 . . . A 32 VAL HG11 . 17394 1 197 . 1 1 32 32 VAL HG12 H 1 0.938 0.02 . 2 . . . A 32 VAL HG12 . 17394 1 198 . 1 1 32 32 VAL HG13 H 1 0.938 0.02 . 2 . . . A 32 VAL HG13 . 17394 1 199 . 1 1 32 32 VAL HG21 H 1 0.992 0.02 . 2 . . . A 32 VAL HG21 . 17394 1 200 . 1 1 32 32 VAL HG22 H 1 0.992 0.02 . 2 . . . A 32 VAL HG22 . 17394 1 201 . 1 1 32 32 VAL HG23 H 1 0.992 0.02 . 2 . . . A 32 VAL HG23 . 17394 1 202 . 1 1 33 33 GLY H H 1 8.359 0.02 . 1 . . . A 33 GLY H . 17394 1 203 . 1 1 33 33 GLY HA2 H 1 4.050 0.02 . 2 . . . A 33 GLY HA2 . 17394 1 204 . 1 1 33 33 GLY HA3 H 1 3.900 0.02 . 2 . . . A 33 GLY HA3 . 17394 1 205 . 1 1 34 34 SER H H 1 8.003 0.02 . 1 . . . A 34 SER H . 17394 1 206 . 1 1 34 34 SER HA H 1 4.377 0.02 . 1 . . . A 34 SER HA . 17394 1 207 . 1 1 34 34 SER HB2 H 1 3.894 0.02 . 1 . . . A 34 SER HB2 . 17394 1 208 . 1 1 34 34 SER HB3 H 1 3.894 0.02 . 1 . . . A 34 SER HB3 . 17394 1 209 . 1 1 35 35 ASN H H 1 8.175 0.02 . 1 . . . A 35 ASN H . 17394 1 210 . 1 1 35 35 ASN HA H 1 3.888 0.02 . 1 . . . A 35 ASN HA . 17394 1 211 . 1 1 35 35 ASN HB2 H 1 2.744 0.02 . 1 . . . A 35 ASN HB2 . 17394 1 212 . 1 1 35 35 ASN HB3 H 1 2.744 0.02 . 1 . . . A 35 ASN HB3 . 17394 1 213 . 1 1 35 35 ASN HD21 H 1 6.832 0.02 . 2 . . . A 35 ASN HD21 . 17394 1 214 . 1 1 35 35 ASN HD22 H 1 7.472 0.02 . 2 . . . A 35 ASN HD22 . 17394 1 215 . 1 1 36 36 THR H H 1 7.934 0.02 . 1 . . . A 36 THR H . 17394 1 216 . 1 1 36 36 THR HA H 1 4.173 0.02 . 1 . . . A 36 THR HA . 17394 1 217 . 1 1 36 36 THR HB H 1 4.007 0.02 . 1 . . . A 36 THR HB . 17394 1 218 . 1 1 36 36 THR HG21 H 1 0.995 0.02 . 1 . . . A 36 THR HG21 . 17394 1 219 . 1 1 36 36 THR HG22 H 1 0.995 0.02 . 1 . . . A 36 THR HG22 . 17394 1 220 . 1 1 36 36 THR HG23 H 1 0.995 0.02 . 1 . . . A 36 THR HG23 . 17394 1 221 . 1 1 37 37 TYR H H 1 8.026 0.02 . 1 . . . A 37 TYR H . 17394 1 222 . 1 1 37 37 TYR HA H 1 4.483 0.02 . 1 . . . A 37 TYR HA . 17394 1 223 . 1 1 37 37 TYR HB2 H 1 2.834 0.02 . 2 . . . A 37 TYR HB3 . 17394 1 224 . 1 1 37 37 TYR HB3 H 1 3.038 0.02 . 2 . . . A 37 TYR HB3 . 17394 1 225 . 1 1 37 37 TYR HD1 H 1 7.097 0.02 . 1 . . . A 37 TYR HD1 . 17394 1 226 . 1 1 37 37 TYR HD2 H 1 7.097 0.02 . 1 . . . A 37 TYR HD2 . 17394 1 227 . 1 1 37 37 TYR HE1 H 1 6.766 0.02 . 1 . . . A 37 TYR HE1 . 17394 1 228 . 1 1 37 37 TYR HE2 H 1 6.766 0.02 . 1 . . . A 37 TYR HE2 . 17394 1 stop_ save_