################################### # 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 25947 _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' . . . 25947 1 2 '2D 1H-1H NOESY' . . . 25947 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 TYR H H 1 8.713 -0.035 . 1 . . . A 2 TYR H . 25947 1 2 . 1 1 2 2 TYR HA H 1 4.587 0.002 . 1 . . . A 2 TYR HA . 25947 1 3 . 1 1 2 2 TYR HB2 H 1 3.240 0.008 . 2 . . . A 2 TYR HB2 . 25947 1 4 . 1 1 2 2 TYR HB3 H 1 3.240 0.008 . 2 . . . A 2 TYR HB3 . 25947 1 5 . 1 1 2 2 TYR HD1 H 1 7.120 0.009 . 2 . . . A 2 TYR HD1 . 25947 1 6 . 1 1 2 2 TYR HD2 H 1 7.120 0.009 . 2 . . . A 2 TYR HD2 . 25947 1 7 . 1 1 2 2 TYR HE1 H 1 6.811 0.005 . 2 . . . A 2 TYR HE1 . 25947 1 8 . 1 1 2 2 TYR HE2 H 1 6.811 0.005 . 2 . . . A 2 TYR HE2 . 25947 1 9 . 1 1 3 3 GLU H H 1 8.321 0.003 . 1 . . . A 3 GLU H . 25947 1 10 . 1 1 3 3 GLU HA H 1 4.377 0.011 . 1 . . . A 3 GLU HA . 25947 1 11 . 1 1 3 3 GLU HB2 H 1 1.992 -0.005 . 1 . . . A 3 GLU HB2 . 25947 1 12 . 1 1 3 3 GLU HB3 H 1 1.859 0.004 . 1 . . . A 3 GLU HB3 . 25947 1 13 . 1 1 3 3 GLU HG2 H 1 2.316 -0.002 . 2 . . . A 3 GLU HG2 . 25947 1 14 . 1 1 3 3 GLU HG3 H 1 2.316 -0.002 . 2 . . . A 3 GLU HG3 . 25947 1 15 . 1 1 4 4 ILE H H 1 8.284 0.007 . 1 . . . A 4 ILE H . 25947 1 16 . 1 1 4 4 ILE HA H 1 4.422 -0.019 . 1 . . . A 4 ILE HA . 25947 1 17 . 1 1 4 4 ILE HB H 1 1.846 0.008 . 1 . . . A 4 ILE HB . 25947 1 18 . 1 1 4 4 ILE HG12 H 1 1.499 0.003 . 1 . . . A 4 ILE HG12 . 25947 1 19 . 1 1 4 4 ILE HG21 H 1 0.926 0.006 . 1 . . . A 4 ILE HG21 . 25947 1 20 . 1 1 4 4 ILE HG22 H 1 0.926 0.006 . 1 . . . A 4 ILE HG22 . 25947 1 21 . 1 1 4 4 ILE HG23 H 1 0.926 0.006 . 1 . . . A 4 ILE HG23 . 25947 1 22 . 1 1 5 5 THR H H 1 8.145 -0.006 . 1 . . . A 5 THR H . 25947 1 23 . 1 1 5 5 THR HA H 1 4.388 0.003 . 1 . . . A 5 THR HA . 25947 1 24 . 1 1 5 5 THR HB H 1 4.156 0.002 . 1 . . . A 5 THR HB . 25947 1 25 . 1 1 5 5 THR HG21 H 1 1.167 0.010 . 1 . . . A 5 THR HG21 . 25947 1 26 . 1 1 5 5 THR HG22 H 1 1.167 0.010 . 1 . . . A 5 THR HG22 . 25947 1 27 . 1 1 5 5 THR HG23 H 1 1.167 0.010 . 1 . . . A 5 THR HG23 . 25947 1 28 . 1 1 6 6 THR H H 1 8.197 0.002 . 1 . . . A 6 THR H . 25947 1 29 . 1 1 6 6 THR HA H 1 4.322 0.004 . 1 . . . A 6 THR HA . 25947 1 30 . 1 1 6 6 THR HB H 1 4.173 0.001 . 1 . . . A 6 THR HB . 25947 1 31 . 1 1 6 6 THR HG21 H 1 1.140 -0.004 . 1 . . . A 6 THR HG21 . 25947 1 32 . 1 1 6 6 THR HG22 H 1 1.140 -0.004 . 1 . . . A 6 THR HG22 . 25947 1 33 . 1 1 6 6 THR HG23 H 1 1.140 -0.004 . 1 . . . A 6 THR HG23 . 25947 1 34 . 1 1 7 7 ILE H H 1 8.108 0.004 . 1 . . . A 7 ILE H . 25947 1 35 . 1 1 7 7 ILE HA H 1 4.905 0.005 . 1 . . . A 7 ILE HA . 25947 1 36 . 1 1 7 7 ILE HB H 1 1.813 0.003 . 1 . . . A 7 ILE HB . 25947 1 37 . 1 1 7 7 ILE HG12 H 1 0.837 0.002 . 1 . . . A 7 ILE HG12 . 25947 1 38 . 1 1 7 7 ILE HG21 H 1 1.390 0.001 . 1 . . . A 7 ILE HG21 . 25947 1 39 . 1 1 7 7 ILE HG22 H 1 1.390 0.001 . 1 . . . A 7 ILE HG22 . 25947 1 40 . 1 1 7 7 ILE HG23 H 1 1.390 0.001 . 1 . . . A 7 ILE HG23 . 25947 1 41 . 1 1 8 8 HIS H H 1 8.626 0.004 . 1 . . . A 8 HIS H . 25947 1 42 . 1 1 8 8 HIS HA H 1 4.725 0.003 . 1 . . . A 8 HIS HA . 25947 1 43 . 1 1 8 8 HIS HB2 H 1 3.249 0.002 . 1 . . . A 8 HIS HB2 . 25947 1 44 . 1 1 8 8 HIS HB3 H 1 3.140 0.008 . 1 . . . A 8 HIS HB3 . 25947 1 45 . 1 1 8 8 HIS HD2 H 1 7.278 0.002 . 1 . . . A 8 HIS HD2 . 25947 1 46 . 1 1 9 9 ASN H H 1 8.495 0.003 . 1 . . . A 9 ASN H . 25947 1 47 . 1 1 9 9 ASN HA H 1 4.677 0.004 . 1 . . . A 9 ASN HA . 25947 1 48 . 1 1 9 9 ASN HB2 H 1 2.813 0.003 . 2 . . . A 9 ASN HB2 . 25947 1 49 . 1 1 9 9 ASN HB3 H 1 2.813 0.003 . 2 . . . A 9 ASN HB3 . 25947 1 50 . 1 1 10 10 LEU HA H 1 4.306 0.001 . 1 . . . A 10 LEU HA . 25947 1 51 . 1 1 10 10 LEU HB2 H 1 1.624 0.008 . 2 . . . A 10 LEU HB2 . 25947 1 52 . 1 1 10 10 LEU HB3 H 1 1.624 0.008 . 2 . . . A 10 LEU HB3 . 25947 1 53 . 1 1 10 10 LEU HG H 1 1.577 0.006 . 1 . . . A 10 LEU HG . 25947 1 54 . 1 1 10 10 LEU HD11 H 1 0.869 0.004 . 2 . . . A 10 LEU HD11 . 25947 1 55 . 1 1 10 10 LEU HD12 H 1 0.869 0.004 . 2 . . . A 10 LEU HD12 . 25947 1 56 . 1 1 10 10 LEU HD13 H 1 0.869 0.004 . 2 . . . A 10 LEU HD13 . 25947 1 57 . 1 1 10 10 LEU HD21 H 1 0.869 0.004 . 2 . . . A 10 LEU HD21 . 25947 1 58 . 1 1 10 10 LEU HD22 H 1 0.869 0.004 . 2 . . . A 10 LEU HD22 . 25947 1 59 . 1 1 10 10 LEU HD23 H 1 0.869 0.004 . 2 . . . A 10 LEU HD23 . 25947 1 60 . 1 1 10 10 LEU H H 1 8.336 0.005 . 1 . . . A 10 LEU H . 25947 1 61 . 1 1 11 11 ALA H H 1 8.267 0.002 . 1 . . . A 11 ALA H . 25947 1 62 . 1 1 11 11 ALA HA H 1 4.283 0.003 . 1 . . . A 11 ALA HA . 25947 1 63 . 1 1 11 11 ALA HB1 H 1 1.386 0.002 . 1 . . . A 11 ALA HB1 . 25947 1 64 . 1 1 11 11 ALA HB2 H 1 1.386 0.002 . 1 . . . A 11 ALA HB2 . 25947 1 65 . 1 1 11 11 ALA HB3 H 1 1.386 0.002 . 1 . . . A 11 ALA HB3 . 25947 1 66 . 1 1 12 12 ARG H H 1 8.209 0.002 . 1 . . . A 12 ARG H . 25947 1 67 . 1 1 12 12 ARG HA H 1 4.374 0.002 . 1 . . . A 12 ARG HA . 25947 1 68 . 1 1 12 12 ARG HB2 H 1 1.755 0.002 . 2 . . . A 12 ARG HB2 . 25947 1 69 . 1 1 12 12 ARG HB3 H 1 1.755 0.002 . 2 . . . A 12 ARG HB3 . 25947 1 70 . 1 1 12 12 ARG HG2 H 1 1.662 0.002 . 2 . . . A 12 ARG HG2 . 25947 1 71 . 1 1 12 12 ARG HG3 H 1 1.662 0.002 . 2 . . . A 12 ARG HG3 . 25947 1 72 . 1 1 13 13 LYS H H 1 8.361 0.004 . 1 . . . A 13 LYS H . 25947 1 73 . 1 1 13 13 LYS HA H 1 4.297 0.002 . 1 . . . A 13 LYS HA . 25947 1 74 . 1 1 13 13 LYS HB2 H 1 1.755 0.005 . 2 . . . A 13 LYS HB2 . 25947 1 75 . 1 1 13 13 LYS HB3 H 1 1.755 0.005 . 2 . . . A 13 LYS HB3 . 25947 1 76 . 1 1 13 13 LYS HG2 H 1 1.454 0.004 . 2 . . . A 13 LYS HG2 . 25947 1 77 . 1 1 13 13 LYS HG3 H 1 1.454 0.004 . 2 . . . A 13 LYS HG3 . 25947 1 78 . 1 1 13 13 LYS HD2 H 1 1.674 0.003 . 2 . . . A 13 LYS HD2 . 25947 1 79 . 1 1 13 13 LYS HD3 H 1 1.674 0.003 . 2 . . . A 13 LYS HD3 . 25947 1 80 . 1 1 14 14 LEU H H 1 8.419 0.003 . 1 . . . A 14 LEU H . 25947 1 81 . 1 1 14 14 LEU HA H 1 4.351 0.002 . 1 . . . A 14 LEU HA . 25947 1 82 . 1 1 14 14 LEU HB2 H 1 1.630 0.001 . 2 . . . A 14 LEU HB2 . 25947 1 83 . 1 1 14 14 LEU HB3 H 1 1.630 0.001 . 2 . . . A 14 LEU HB3 . 25947 1 84 . 1 1 14 14 LEU HG H 1 1.579 0.002 . 1 . . . A 14 LEU HG . 25947 1 85 . 1 1 14 14 LEU HD11 H 1 0.882 0.002 . 2 . . . A 14 LEU HD11 . 25947 1 86 . 1 1 14 14 LEU HD12 H 1 0.882 0.002 . 2 . . . A 14 LEU HD12 . 25947 1 87 . 1 1 14 14 LEU HD13 H 1 0.882 0.002 . 2 . . . A 14 LEU HD13 . 25947 1 88 . 1 1 14 14 LEU HD21 H 1 0.882 0.002 . 2 . . . A 14 LEU HD21 . 25947 1 89 . 1 1 14 14 LEU HD22 H 1 0.882 0.002 . 2 . . . A 14 LEU HD22 . 25947 1 90 . 1 1 14 14 LEU HD23 H 1 0.882 0.002 . 2 . . . A 14 LEU HD23 . 25947 1 91 . 1 1 15 15 THR H H 1 8.145 0.003 . 1 . . . A 15 THR H . 25947 1 92 . 1 1 15 15 THR HA H 1 4.301 0.002 . 1 . . . A 15 THR HA . 25947 1 93 . 1 1 15 15 THR HB H 1 4.156 0.002 . 1 . . . A 15 THR HB . 25947 1 94 . 1 1 15 15 THR HG21 H 1 1.166 0.003 . 1 . . . A 15 THR HG21 . 25947 1 95 . 1 1 15 15 THR HG22 H 1 1.166 0.003 . 1 . . . A 15 THR HG22 . 25947 1 96 . 1 1 15 15 THR HG23 H 1 1.166 0.003 . 1 . . . A 15 THR HG23 . 25947 1 97 . 1 1 16 16 HIS H H 1 8.547 0.003 . 1 . . . A 16 HIS H . 25947 1 98 . 1 1 16 16 HIS HA H 1 4.730 0.002 . 1 . . . A 16 HIS HA . 25947 1 99 . 1 1 16 16 HIS HB2 H 1 3.277 0.004 . 1 . . . A 16 HIS HB2 . 25947 1 100 . 1 1 16 16 HIS HB3 H 1 3.149 0.002 . 1 . . . A 16 HIS HB3 . 25947 1 101 . 1 1 16 16 HIS HD2 H 1 7.292 0.003 . 1 . . . A 16 HIS HD2 . 25947 1 102 . 1 1 17 17 ARG H H 1 8.495 0.002 . 1 . . . A 17 ARG H . 25947 1 103 . 1 1 17 17 ARG HA H 1 4.392 0.002 . 1 . . . A 17 ARG HA . 25947 1 104 . 1 1 17 17 ARG HB2 H 1 1.819 0.003 . 1 . . . A 17 ARG HB2 . 25947 1 105 . 1 1 17 17 ARG HB3 H 1 1.766 0.002 . 1 . . . A 17 ARG HB3 . 25947 1 106 . 1 1 17 17 ARG HG2 H 1 1.614 0.002 . 2 . . . A 17 ARG HG2 . 25947 1 107 . 1 1 17 17 ARG HG3 H 1 1.614 0.002 . 2 . . . A 17 ARG HG3 . 25947 1 108 . 1 1 17 17 ARG HD2 H 1 3.200 0.002 . 2 . . . A 17 ARG HD2 . 25947 1 109 . 1 1 17 17 ARG HD3 H 1 3.200 0.002 . 2 . . . A 17 ARG HD3 . 25947 1 110 . 1 1 18 18 LEU H H 1 8.361 0.003 . 1 . . . A 18 LEU H . 25947 1 111 . 1 1 18 18 LEU HA H 1 4.418 0.002 . 1 . . . A 18 LEU HA . 25947 1 112 . 1 1 18 18 LEU HB2 H 1 1.626 0.001 . 2 . . . A 18 LEU HB2 . 25947 1 113 . 1 1 18 18 LEU HB3 H 1 1.626 0.001 . 2 . . . A 18 LEU HB3 . 25947 1 114 . 1 1 18 18 LEU HG H 1 1.541 0.002 . 1 . . . A 18 LEU HG . 25947 1 115 . 1 1 18 18 LEU HD11 H 1 0.862 0.002 . 2 . . . A 18 LEU HD11 . 25947 1 116 . 1 1 18 18 LEU HD12 H 1 0.862 0.002 . 2 . . . A 18 LEU HD12 . 25947 1 117 . 1 1 18 18 LEU HD13 H 1 0.862 0.002 . 2 . . . A 18 LEU HD13 . 25947 1 118 . 1 1 18 18 LEU HD21 H 1 0.862 0.002 . 2 . . . A 18 LEU HD21 . 25947 1 119 . 1 1 18 18 LEU HD22 H 1 0.862 0.002 . 2 . . . A 18 LEU HD22 . 25947 1 120 . 1 1 18 18 LEU HD23 H 1 0.862 0.002 . 2 . . . A 18 LEU HD23 . 25947 1 121 . 1 1 19 19 ALA H H 1 8.369 0.002 . 1 . . . A 19 ALA H . 25947 1 122 . 1 1 19 19 ALA HA H 1 4.303 0.003 . 1 . . . A 19 ALA HA . 25947 1 123 . 1 1 19 19 ALA HB1 H 1 1.375 0.002 . 1 . . . A 19 ALA HB1 . 25947 1 124 . 1 1 19 19 ALA HB2 H 1 1.375 0.002 . 1 . . . A 19 ALA HB2 . 25947 1 125 . 1 1 19 19 ALA HB3 H 1 1.375 0.002 . 1 . . . A 19 ALA HB3 . 25947 1 126 . 1 1 20 20 ARG H H 1 8.211 0.002 . 1 . . . A 20 ARG H . 25947 1 127 . 1 1 20 20 ARG HA H 1 4.279 0.002 . 1 . . . A 20 ARG HA . 25947 1 128 . 1 1 20 20 ARG HB2 H 1 1.894 0.003 . 1 . . . A 20 ARG HB2 . 25947 1 129 . 1 1 20 20 ARG HB3 H 1 1.817 0.002 . 1 . . . A 20 ARG HB3 . 25947 1 130 . 1 1 20 20 ARG HG2 H 1 1.652 0.002 . 2 . . . A 20 ARG HG2 . 25947 1 131 . 1 1 20 20 ARG HG3 H 1 1.652 0.002 . 2 . . . A 20 ARG HG3 . 25947 1 132 . 1 1 20 20 ARG HD2 H 1 3.292 0.002 . 2 . . . A 20 ARG HD2 . 25947 1 133 . 1 1 20 20 ARG HD3 H 1 3.292 0.002 . 2 . . . A 20 ARG HD3 . 25947 1 134 . 1 1 21 21 ARG H H 1 8.211 0.002 . 1 . . . A 21 ARG H . 25947 1 135 . 1 1 21 21 ARG HA H 1 4.303 0.002 . 1 . . . A 21 ARG HA . 25947 1 136 . 1 1 21 21 ARG HB2 H 1 1.761 0.002 . 2 . . . A 21 ARG HB2 . 25947 1 137 . 1 1 21 21 ARG HB3 H 1 1.761 0.002 . 2 . . . A 21 ARG HB3 . 25947 1 138 . 1 1 21 21 ARG HG2 H 1 1.632 0.002 . 2 . . . A 21 ARG HG2 . 25947 1 139 . 1 1 21 21 ARG HG3 H 1 1.632 0.002 . 2 . . . A 21 ARG HG3 . 25947 1 140 . 1 1 21 21 ARG HD2 H 1 3.209 0.002 . 2 . . . A 21 ARG HD2 . 25947 1 141 . 1 1 21 21 ARG HD3 H 1 3.209 0.002 . 2 . . . A 21 ARG HD3 . 25947 1 142 . 1 1 22 22 ASN H H 1 8.568 0.003 . 1 . . . A 22 ASN H . 25947 1 143 . 1 1 22 22 ASN HA H 1 4.675 0.004 . 1 . . . A 22 ASN HA . 25947 1 144 . 1 1 22 22 ASN HB2 H 1 2.847 0.003 . 1 . . . A 22 ASN HB2 . 25947 1 145 . 1 1 22 22 ASN HB3 H 1 2.763 0.002 . 1 . . . A 22 ASN HB3 . 25947 1 146 . 1 1 23 23 ALA H H 1 8.396 0.002 . 1 . . . A 23 ALA H . 25947 1 147 . 1 1 23 23 ALA HA H 1 4.309 0.003 . 1 . . . A 23 ALA HA . 25947 1 148 . 1 1 23 23 ALA HB1 H 1 1.407 0.002 . 1 . . . A 23 ALA HB1 . 25947 1 149 . 1 1 23 23 ALA HB2 H 1 1.407 0.002 . 1 . . . A 23 ALA HB2 . 25947 1 150 . 1 1 23 23 ALA HB3 H 1 1.407 0.002 . 1 . . . A 23 ALA HB3 . 25947 1 151 . 1 1 24 24 GLY H H 1 8.390 0.003 . 1 . . . A 24 GLY H . 25947 1 152 . 1 1 24 24 GLY HA2 H 1 3.948 0.002 . 2 . . . A 24 GLY HA2 . 25947 1 153 . 1 1 24 24 GLY HA3 H 1 3.948 0.002 . 2 . . . A 24 GLY HA3 . 25947 1 154 . 1 1 25 25 ALA H H 1 8.147 -0.035 . 1 . . . A 25 ALA H . 25947 1 155 . 1 1 25 25 ALA HA H 1 4.301 0.002 . 1 . . . A 25 ALA HA . 25947 1 156 . 1 1 25 25 ALA HB1 H 1 1.402 0.008 . 1 . . . A 25 ALA HB1 . 25947 1 157 . 1 1 25 25 ALA HB2 H 1 1.402 0.008 . 1 . . . A 25 ALA HB2 . 25947 1 158 . 1 1 25 25 ALA HB3 H 1 1.402 0.008 . 1 . . . A 25 ALA HB3 . 25947 1 159 . 1 1 26 26 THR H H 1 8.278 0.003 . 1 . . . A 26 THR H . 25947 1 160 . 1 1 26 26 THR HA H 1 4.350 0.002 . 1 . . . A 26 THR HA . 25947 1 161 . 1 1 26 26 THR HB H 1 4.151 0.002 . 1 . . . A 26 THR HB . 25947 1 162 . 1 1 26 26 THR HG21 H 1 1.199 0.003 . 1 . . . A 26 THR HG21 . 25947 1 163 . 1 1 26 26 THR HG22 H 1 1.199 0.003 . 1 . . . A 26 THR HG22 . 25947 1 164 . 1 1 26 26 THR HG23 H 1 1.199 0.003 . 1 . . . A 26 THR HG23 . 25947 1 165 . 1 1 27 27 LEU H H 1 8.319 0.003 . 1 . . . A 27 LEU H . 25947 1 166 . 1 1 27 27 LEU HA H 1 4.378 0.002 . 1 . . . A 27 LEU HA . 25947 1 167 . 1 1 27 27 LEU HB2 H 1 1.740 0.001 . 2 . . . A 27 LEU HB2 . 25947 1 168 . 1 1 27 27 LEU HB3 H 1 1.740 0.001 . 2 . . . A 27 LEU HB3 . 25947 1 169 . 1 1 27 27 LEU HG H 1 1.635 0.002 . 1 . . . A 27 LEU HG . 25947 1 170 . 1 1 27 27 LEU HD11 H 1 0.876 0.002 . 2 . . . A 27 LEU HD11 . 25947 1 171 . 1 1 27 27 LEU HD12 H 1 0.876 0.002 . 2 . . . A 27 LEU HD12 . 25947 1 172 . 1 1 27 27 LEU HD13 H 1 0.876 0.002 . 2 . . . A 27 LEU HD13 . 25947 1 173 . 1 1 27 27 LEU HD21 H 1 0.876 0.002 . 2 . . . A 27 LEU HD21 . 25947 1 174 . 1 1 27 27 LEU HD22 H 1 0.876 0.002 . 2 . . . A 27 LEU HD22 . 25947 1 175 . 1 1 27 27 LEU HD23 H 1 0.876 0.002 . 2 . . . A 27 LEU HD23 . 25947 1 176 . 1 1 28 28 ARG H H 1 8.037 0.002 . 1 . . . A 28 ARG H . 25947 1 177 . 1 1 28 28 ARG HA H 1 4.227 0.002 . 1 . . . A 28 ARG HA . 25947 1 178 . 1 1 28 28 ARG HB2 H 1 1.867 0.003 . 1 . . . A 28 ARG HB2 . 25947 1 179 . 1 1 28 28 ARG HB3 H 1 1.732 0.002 . 1 . . . A 28 ARG HB3 . 25947 1 180 . 1 1 28 28 ARG HG2 H 1 1.595 0.002 . 2 . . . A 28 ARG HG2 . 25947 1 181 . 1 1 28 28 ARG HG3 H 1 1.595 0.002 . 2 . . . A 28 ARG HG3 . 25947 1 182 . 1 1 28 28 ARG HD2 H 1 3.204 0.002 . 2 . . . A 28 ARG HD2 . 25947 1 183 . 1 1 28 28 ARG HD3 H 1 3.204 0.002 . 2 . . . A 28 ARG HD3 . 25947 1 stop_ save_