################################### # 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 19071 _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' . . . 19071 1 2 '2D 1H-1H NOESY' . . . 19071 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 HIS HB2 H 1 3.279 0.004 . 2 . . . X 1 HIS HB2 . 19071 1 2 . 1 1 1 1 HIS HB3 H 1 3.388 0.004 . 2 . . . X 1 HIS HB3 . 19071 1 3 . 1 1 1 1 HIS HD2 H 1 7.195 0.002 . 1 . . . X 1 HIS HD2 . 19071 1 4 . 1 1 1 1 HIS HE1 H 1 7.745 0.000 . 1 . . . X 1 HIS HE1 . 19071 1 5 . 1 1 1 1 HIS HE2 H 1 8.206 0.006 . 1 . . . X 1 HIS HE2 . 19071 1 6 . 1 1 2 2 AIB HB11 H 1 1.313 0.005 . 1 . . . . 2 AIB HB2 . 19071 1 7 . 1 1 2 2 AIB HB12 H 1 1.313 0.005 . 1 . . . . 2 AIB HB2 . 19071 1 8 . 1 1 2 2 AIB HB13 H 1 1.313 0.005 . 1 . . . . 2 AIB HB2 . 19071 1 9 . 1 1 2 2 AIB HB21 H 1 1.406 0.000 . 1 . . . . 2 AIB HB3 . 19071 1 10 . 1 1 2 2 AIB HB22 H 1 1.406 0.000 . 1 . . . . 2 AIB HB3 . 19071 1 11 . 1 1 2 2 AIB HB23 H 1 1.406 0.000 . 1 . . . . 2 AIB HB3 . 19071 1 12 . 1 1 3 3 GLN HA H 1 3.978 0.005 . 1 . . . X 3 GLN HA . 19071 1 13 . 1 1 3 3 GLN HB2 H 1 1.940 0.051 . 2 . . . X 3 GLN HB2 . 19071 1 14 . 1 1 3 3 GLN HB3 H 1 2.045 0.008 . 2 . . . X 3 GLN HB3 . 19071 1 15 . 1 1 3 3 GLN HG2 H 1 2.362 0.004 . 2 . . . X 3 GLN HG2 . 19071 1 16 . 1 1 3 3 GLN HG3 H 1 2.536 0.004 . 2 . . . X 3 GLN HG3 . 19071 1 17 . 1 1 4 4 GLY HA2 H 1 3.943 0.002 . 2 . . . X 4 GLY HA2 . 19071 1 18 . 1 1 4 4 GLY HA3 H 1 4.083 0.001 . 2 . . . X 4 GLY HA3 . 19071 1 19 . 1 1 5 5 THR HA H 1 4.088 0.003 . 1 . . . X 5 THR HA . 19071 1 20 . 1 1 5 5 THR HB H 1 3.874 0.004 . 1 . . . X 5 THR HB . 19071 1 21 . 1 1 5 5 THR HG21 H 1 1.133 0.003 . 1 . . . X 5 THR HG21 . 19071 1 22 . 1 1 5 5 THR HG22 H 1 1.133 0.003 . 1 . . . X 5 THR HG22 . 19071 1 23 . 1 1 5 5 THR HG23 H 1 1.133 0.003 . 1 . . . X 5 THR HG23 . 19071 1 24 . 1 1 6 6 PHE HA H 1 4.292 0.005 . 1 . . . X 6 PHE HA . 19071 1 25 . 1 1 6 6 PHE HB2 H 1 3.095 0.009 . 2 . . . X 6 PHE HB2 . 19071 1 26 . 1 1 6 6 PHE HB3 H 1 3.110 0.007 . 2 . . . X 6 PHE HB3 . 19071 1 27 . 1 1 6 6 PHE HD1 H 1 7.063 0.047 . 1 . . . X 6 PHE HD1 . 19071 1 28 . 1 1 6 6 PHE HD2 H 1 7.063 0.047 . 1 . . . X 6 PHE HD2 . 19071 1 29 . 1 1 6 6 PHE HE1 H 1 7.106 0.011 . 1 . . . X 6 PHE HE1 . 19071 1 30 . 1 1 6 6 PHE HE2 H 1 7.106 0.011 . 1 . . . X 6 PHE HE2 . 19071 1 31 . 1 1 7 7 THR HA H 1 4.234 0.004 . 1 . . . X 7 THR HA . 19071 1 32 . 1 1 7 7 THR HB H 1 3.908 0.004 . 1 . . . X 7 THR HB . 19071 1 33 . 1 1 7 7 THR HG21 H 1 1.284 0.004 . 1 . . . X 7 THR HG21 . 19071 1 34 . 1 1 7 7 THR HG22 H 1 1.284 0.004 . 1 . . . X 7 THR HG22 . 19071 1 35 . 1 1 7 7 THR HG23 H 1 1.284 0.004 . 1 . . . X 7 THR HG23 . 19071 1 36 . 1 1 8 8 SER HA H 1 4.081 0.002 . 1 . . . X 8 SER HA . 19071 1 37 . 1 1 8 8 SER HB2 H 1 3.941 0.008 . 2 . . . X 8 SER HB2 . 19071 1 38 . 1 1 8 8 SER HB3 H 1 3.941 0.008 . 2 . . . X 8 SER HB3 . 19071 1 39 . 1 1 9 9 ASP HA H 1 4.439 0.005 . 1 . . . X 9 ASP HA . 19071 1 40 . 1 1 9 9 ASP HB2 H 1 2.773 0.007 . 2 . . . X 9 ASP HB2 . 19071 1 41 . 1 1 9 9 ASP HB3 H 1 2.968 0.006 . 2 . . . X 9 ASP HB3 . 19071 1 42 . 1 1 10 10 TYR HA H 1 4.118 0.003 . 1 . . . X 10 TYR HA . 19071 1 43 . 1 1 10 10 TYR HB2 H 1 2.810 0.002 . 2 . . . X 10 TYR HB2 . 19071 1 44 . 1 1 10 10 TYR HB3 H 1 2.828 0.002 . 2 . . . X 10 TYR HB3 . 19071 1 45 . 1 1 10 10 TYR HD1 H 1 6.889 0.069 . 1 . . . X 10 TYR HD1 . 19071 1 46 . 1 1 10 10 TYR HD2 H 1 6.889 0.069 . 1 . . . X 10 TYR HD2 . 19071 1 47 . 1 1 10 10 TYR HE1 H 1 6.716 0.091 . 1 . . . X 10 TYR HE1 . 19071 1 48 . 1 1 10 10 TYR HE2 H 1 6.716 0.091 . 1 . . . X 10 TYR HE2 . 19071 1 49 . 1 1 11 11 SER HA H 1 4.083 0.002 . 1 . . . X 11 SER HA . 19071 1 50 . 1 1 11 11 SER HB2 H 1 3.972 0.010 . 2 . . . X 11 SER HB2 . 19071 1 51 . 1 1 11 11 SER HB3 H 1 3.972 0.010 . 2 . . . X 11 SER HB3 . 19071 1 52 . 1 1 12 12 LYS HA H 1 4.041 0.008 . 1 . . . X 12 LYS HA . 19071 1 53 . 1 1 12 12 LYS HB2 H 1 1.656 0.000 . 2 . . . X 12 LYS HB2 . 19071 1 54 . 1 1 12 12 LYS HB3 H 1 1.726 0.004 . 2 . . . X 12 LYS HB3 . 19071 1 55 . 1 1 12 12 LYS HG2 H 1 1.391 0.004 . 2 . . . X 12 LYS HG2 . 19071 1 56 . 1 1 12 12 LYS HG3 H 1 1.391 0.004 . 2 . . . X 12 LYS HG3 . 19071 1 57 . 1 1 12 12 LYS HD2 H 1 1.648 0.014 . 2 . . . X 12 LYS HD2 . 19071 1 58 . 1 1 12 12 LYS HD3 H 1 1.853 0.003 . 2 . . . X 12 LYS HD3 . 19071 1 59 . 1 1 12 12 LYS HE2 H 1 2.889 0.004 . 2 . . . X 12 LYS HE2 . 19071 1 60 . 1 1 12 12 LYS HE3 H 1 2.958 0.005 . 2 . . . X 12 LYS HE3 . 19071 1 61 . 1 1 13 13 LYS H H 1 7.585 0.000 . 1 . . . X 13 LYS H . 19071 1 62 . 1 1 13 13 LYS HA H 1 3.881 0.002 . 1 . . . X 13 LYS HA . 19071 1 63 . 1 1 13 13 LYS HB2 H 1 1.748 0.012 . 2 . . . X 13 LYS HB2 . 19071 1 64 . 1 1 13 13 LYS HB3 H 1 1.780 0.010 . 2 . . . X 13 LYS HB3 . 19071 1 65 . 1 1 13 13 LYS HG2 H 1 1.373 0.013 . 2 . . . X 13 LYS HG2 . 19071 1 66 . 1 1 13 13 LYS HG3 H 1 1.439 0.007 . 2 . . . X 13 LYS HG3 . 19071 1 67 . 1 1 13 13 LYS HD2 H 1 1.478 0.000 . 2 . . . X 13 LYS HD2 . 19071 1 68 . 1 1 13 13 LYS HD3 H 1 1.565 0.004 . 2 . . . X 13 LYS HD3 . 19071 1 69 . 1 1 13 13 LYS HE2 H 1 3.084 0.006 . 2 . . . X 13 LYS HE2 . 19071 1 70 . 1 1 13 13 LYS HE3 H 1 3.115 0.003 . 2 . . . X 13 LYS HE3 . 19071 1 71 . 1 1 14 14 LEU HA H 1 3.938 0.006 . 1 . . . X 14 LEU HA . 19071 1 72 . 1 1 14 14 LEU HB2 H 1 1.404 0.026 . 2 . . . X 14 LEU HB2 . 19071 1 73 . 1 1 14 14 LEU HB3 H 1 1.467 0.008 . 2 . . . X 14 LEU HB3 . 19071 1 74 . 1 1 14 14 LEU HG H 1 1.608 0.049 . 1 . . . X 14 LEU HG . 19071 1 75 . 1 1 14 14 LEU HD11 H 1 0.736 0.008 . 1 . . . X 14 LEU HD11 . 19071 1 76 . 1 1 14 14 LEU HD12 H 1 0.736 0.008 . 1 . . . X 14 LEU HD12 . 19071 1 77 . 1 1 14 14 LEU HD13 H 1 0.736 0.008 . 1 . . . X 14 LEU HD13 . 19071 1 78 . 1 1 14 14 LEU HD21 H 1 0.736 0.008 . 1 . . . X 14 LEU HD21 . 19071 1 79 . 1 1 14 14 LEU HD22 H 1 0.736 0.008 . 1 . . . X 14 LEU HD22 . 19071 1 80 . 1 1 14 14 LEU HD23 H 1 0.736 0.008 . 1 . . . X 14 LEU HD23 . 19071 1 81 . 1 1 15 15 ASP HA H 1 4.245 0.006 . 1 . . . X 15 ASP HA . 19071 1 82 . 1 1 15 15 ASP HB2 H 1 2.740 0.011 . 2 . . . X 15 ASP HB2 . 19071 1 83 . 1 1 15 15 ASP HB3 H 1 3.049 0.014 . 2 . . . X 15 ASP HB3 . 19071 1 84 . 1 1 16 16 AIB HB11 H 1 1.434 0.056 . 1 . . . . 16 AIB HB2 . 19071 1 85 . 1 1 16 16 AIB HB12 H 1 1.434 0.056 . 1 . . . . 16 AIB HB2 . 19071 1 86 . 1 1 16 16 AIB HB13 H 1 1.434 0.056 . 1 . . . . 16 AIB HB2 . 19071 1 87 . 1 1 16 16 AIB HB21 H 1 1.493 0.003 . 1 . . . . 16 AIB HB3 . 19071 1 88 . 1 1 16 16 AIB HB22 H 1 1.493 0.003 . 1 . . . . 16 AIB HB3 . 19071 1 89 . 1 1 16 16 AIB HB23 H 1 1.493 0.003 . 1 . . . . 16 AIB HB3 . 19071 1 90 . 1 1 17 17 ARG H H 1 7.930 0.002 . 1 . . . X 17 ARG H . 19071 1 91 . 1 1 17 17 ARG HA H 1 3.985 0.014 . 1 . . . X 17 ARG HA . 19071 1 92 . 1 1 17 17 ARG HB2 H 1 1.857 0.021 . 2 . . . X 17 ARG HB2 . 19071 1 93 . 1 1 17 17 ARG HB3 H 1 1.968 0.015 . 2 . . . X 17 ARG HB3 . 19071 1 94 . 1 1 17 17 ARG HG2 H 1 1.565 0.003 . 2 . . . X 17 ARG HG2 . 19071 1 95 . 1 1 17 17 ARG HG3 H 1 1.638 0.000 . 2 . . . X 17 ARG HG3 . 19071 1 96 . 1 1 17 17 ARG HD2 H 1 3.065 0.002 . 2 . . . X 17 ARG HD2 . 19071 1 97 . 1 1 17 17 ARG HD3 H 1 3.101 0.014 . 2 . . . X 17 ARG HD3 . 19071 1 98 . 1 1 18 18 ARG H H 1 7.925 0.007 . 1 . . . X 18 ARG H . 19071 1 99 . 1 1 18 18 ARG HA H 1 3.998 0.010 . 1 . . . X 18 ARG HA . 19071 1 100 . 1 1 18 18 ARG HB2 H 1 1.740 0.007 . 2 . . . X 18 ARG HB2 . 19071 1 101 . 1 1 18 18 ARG HB3 H 1 1.926 0.012 . 2 . . . X 18 ARG HB3 . 19071 1 102 . 1 1 18 18 ARG HG2 H 1 1.580 0.002 . 2 . . . X 18 ARG HG2 . 19071 1 103 . 1 1 18 18 ARG HG3 H 1 1.690 0.014 . 2 . . . X 18 ARG HG3 . 19071 1 104 . 1 1 18 18 ARG HD2 H 1 3.008 0.006 . 2 . . . X 18 ARG HD2 . 19071 1 105 . 1 1 18 18 ARG HD3 H 1 3.165 0.007 . 2 . . . X 18 ARG HD3 . 19071 1 106 . 1 1 19 19 ALA H H 1 8.189 0.002 . 1 . . . X 19 ALA H . 19071 1 107 . 1 1 19 19 ALA HA H 1 4.177 0.005 . 1 . . . X 19 ALA HA . 19071 1 108 . 1 1 19 19 ALA HB1 H 1 1.507 0.008 . 1 . . . X 19 ALA HB1 . 19071 1 109 . 1 1 19 19 ALA HB2 H 1 1.507 0.008 . 1 . . . X 19 ALA HB2 . 19071 1 110 . 1 1 19 19 ALA HB3 H 1 1.507 0.008 . 1 . . . X 19 ALA HB3 . 19071 1 111 . 1 1 20 20 GLN H H 1 8.184 0.024 . 1 . . . X 20 GLN H . 19071 1 112 . 1 1 20 20 GLN HA H 1 3.942 0.007 . 1 . . . X 20 GLN HA . 19071 1 113 . 1 1 20 20 GLN HB2 H 1 2.064 0.004 . 2 . . . X 20 GLN HB2 . 19071 1 114 . 1 1 20 20 GLN HB3 H 1 2.275 0.012 . 2 . . . X 20 GLN HB3 . 19071 1 115 . 1 1 20 20 GLN HG2 H 1 2.581 0.003 . 2 . . . X 20 GLN HG2 . 19071 1 116 . 1 1 20 20 GLN HG3 H 1 2.581 0.003 . 2 . . . X 20 GLN HG3 . 19071 1 117 . 1 1 21 21 ASP HA H 1 4.431 0.008 . 1 . . . X 21 ASP HA . 19071 1 118 . 1 1 21 21 ASP HB2 H 1 2.776 0.007 . 2 . . . X 21 ASP HB2 . 19071 1 119 . 1 1 21 21 ASP HB3 H 1 3.168 0.008 . 2 . . . X 21 ASP HB3 . 19071 1 120 . 1 1 22 22 PHE H H 1 8.420 0.000 . 1 . . . X 22 PHE H . 19071 1 121 . 1 1 22 22 PHE HA H 1 4.402 0.004 . 1 . . . X 22 PHE HA . 19071 1 122 . 1 1 22 22 PHE HB2 H 1 3.232 0.023 . 2 . . . X 22 PHE HB2 . 19071 1 123 . 1 1 22 22 PHE HB3 H 1 3.321 0.006 . 2 . . . X 22 PHE HB3 . 19071 1 124 . 1 1 22 22 PHE HD1 H 1 7.152 0.005 . 1 . . . X 22 PHE HD1 . 19071 1 125 . 1 1 22 22 PHE HD2 H 1 7.152 0.005 . 1 . . . X 22 PHE HD2 . 19071 1 126 . 1 1 22 22 PHE HE1 H 1 7.222 0.011 . 1 . . . X 22 PHE HE1 . 19071 1 127 . 1 1 22 22 PHE HE2 H 1 7.222 0.011 . 1 . . . X 22 PHE HE2 . 19071 1 128 . 1 1 23 23 VAL H H 1 8.394 0.002 . 1 . . . X 23 VAL H . 19071 1 129 . 1 1 23 23 VAL HA H 1 3.489 0.003 . 1 . . . X 23 VAL HA . 19071 1 130 . 1 1 23 23 VAL HB H 1 2.143 0.003 . 1 . . . X 23 VAL HB . 19071 1 131 . 1 1 23 23 VAL HG11 H 1 0.933 0.002 . 2 . . . X 23 VAL HG11 . 19071 1 132 . 1 1 23 23 VAL HG12 H 1 0.933 0.002 . 2 . . . X 23 VAL HG12 . 19071 1 133 . 1 1 23 23 VAL HG13 H 1 0.933 0.002 . 2 . . . X 23 VAL HG13 . 19071 1 134 . 1 1 23 23 VAL HG21 H 1 1.124 0.038 . 2 . . . X 23 VAL HG21 . 19071 1 135 . 1 1 23 23 VAL HG22 H 1 1.124 0.038 . 2 . . . X 23 VAL HG22 . 19071 1 136 . 1 1 23 23 VAL HG23 H 1 1.124 0.038 . 2 . . . X 23 VAL HG23 . 19071 1 137 . 1 1 24 24 GLN H H 1 8.157 0.012 . 1 . . . X 24 GLN H . 19071 1 138 . 1 1 24 24 GLN HA H 1 3.893 0.007 . 1 . . . X 24 GLN HA . 19071 1 139 . 1 1 24 24 GLN HB2 H 1 2.088 0.008 . 2 . . . X 24 GLN HB2 . 19071 1 140 . 1 1 24 24 GLN HB3 H 1 2.268 0.011 . 2 . . . X 24 GLN HB3 . 19071 1 141 . 1 1 24 24 GLN HG2 H 1 2.497 0.004 . 2 . . . X 24 GLN HG2 . 19071 1 142 . 1 1 24 24 GLN HG3 H 1 2.497 0.004 . 2 . . . X 24 GLN HG3 . 19071 1 143 . 1 1 24 24 GLN HE22 H 1 7.194 0.000 . 1 . . . X 24 GLN HE22 . 19071 1 144 . 1 1 25 25 TRP H H 1 8.091 0.071 . 1 . . . X 25 TRP H . 19071 1 145 . 1 1 25 25 TRP HA H 1 4.133 0.003 . 1 . . . X 25 TRP HA . 19071 1 146 . 1 1 25 25 TRP HB2 H 1 3.225 0.004 . 2 . . . X 25 TRP HB2 . 19071 1 147 . 1 1 25 25 TRP HB3 H 1 3.554 0.004 . 2 . . . X 25 TRP HB3 . 19071 1 148 . 1 1 25 25 TRP HE3 H 1 7.294 0.010 . 1 . . . X 25 TRP HE3 . 19071 1 149 . 1 1 25 25 TRP HZ3 H 1 7.021 0.063 . 1 . . . X 25 TRP HZ3 . 19071 1 150 . 1 1 25 25 TRP HH2 H 1 6.943 0.006 . 1 . . . X 25 TRP HH2 . 19071 1 151 . 1 1 26 26 LEU H H 1 8.562 0.002 . 1 . . . X 26 LEU H . 19071 1 152 . 1 1 26 26 LEU HA H 1 3.460 0.008 . 1 . . . X 26 LEU HA . 19071 1 153 . 1 1 26 26 LEU HB2 H 1 1.402 0.007 . 2 . . . X 26 LEU HB2 . 19071 1 154 . 1 1 26 26 LEU HB3 H 1 1.621 0.003 . 2 . . . X 26 LEU HB3 . 19071 1 155 . 1 1 26 26 LEU HG H 1 1.437 0.045 . 1 . . . X 26 LEU HG . 19071 1 156 . 1 1 26 26 LEU HD11 H 1 0.678 0.023 . 2 . . . X 26 LEU HD11 . 19071 1 157 . 1 1 26 26 LEU HD12 H 1 0.678 0.023 . 2 . . . X 26 LEU HD12 . 19071 1 158 . 1 1 26 26 LEU HD13 H 1 0.678 0.023 . 2 . . . X 26 LEU HD13 . 19071 1 159 . 1 1 26 26 LEU HD21 H 1 0.730 0.008 . 2 . . . X 26 LEU HD21 . 19071 1 160 . 1 1 26 26 LEU HD22 H 1 0.730 0.008 . 2 . . . X 26 LEU HD22 . 19071 1 161 . 1 1 26 26 LEU HD23 H 1 0.730 0.008 . 2 . . . X 26 LEU HD23 . 19071 1 162 . 1 1 27 27 MET H H 1 8.453 0.003 . 1 . . . X 27 MET H . 19071 1 163 . 1 1 27 27 MET HA H 1 4.034 0.004 . 1 . . . X 27 MET HA . 19071 1 164 . 1 1 27 27 MET HB2 H 1 1.945 0.014 . 2 . . . X 27 MET HB2 . 19071 1 165 . 1 1 27 27 MET HB3 H 1 2.051 0.005 . 2 . . . X 27 MET HB3 . 19071 1 166 . 1 1 27 27 MET HG2 H 1 2.471 0.002 . 2 . . . X 27 MET HG2 . 19071 1 167 . 1 1 27 27 MET HG3 H 1 2.655 0.003 . 2 . . . X 27 MET HG3 . 19071 1 168 . 1 1 28 28 ASN H H 1 7.718 0.002 . 1 . . . X 28 ASN H . 19071 1 169 . 1 1 28 28 ASN HA H 1 4.535 0.004 . 1 . . . X 28 ASN HA . 19071 1 170 . 1 1 28 28 ASN HB2 H 1 2.647 0.003 . 2 . . . X 28 ASN HB2 . 19071 1 171 . 1 1 28 28 ASN HB3 H 1 2.647 0.003 . 2 . . . X 28 ASN HB3 . 19071 1 172 . 1 1 29 29 THR H H 1 7.920 0.000 . 1 . . . X 29 THR H . 19071 1 173 . 1 1 29 29 THR HA H 1 4.032 0.011 . 1 . . . X 29 THR HA . 19071 1 174 . 1 1 29 29 THR HB H 1 3.636 0.002 . 1 . . . X 29 THR HB . 19071 1 175 . 1 1 29 29 THR HG21 H 1 0.648 0.002 . 1 . . . X 29 THR HG21 . 19071 1 176 . 1 1 29 29 THR HG22 H 1 0.648 0.002 . 1 . . . X 29 THR HG22 . 19071 1 177 . 1 1 29 29 THR HG23 H 1 0.648 0.002 . 1 . . . X 29 THR HG23 . 19071 1 178 . 2 2 1 1 GGL HA H 1 4.369 0.006 . 1 . . . X 101 GGL HA . 19071 1 179 . 2 2 1 1 GGL HB2 H 1 1.845 0.003 . 1 . . . X 101 GGL HB3 . 19071 1 180 . 2 2 1 1 GGL HB3 H 1 2.121 0.007 . 1 . . . X 101 GGL HB3 . 19071 1 181 . 2 2 1 1 GGL HG H 1 2.293 0.006 . 1 . . . X 101 GGL HG . 19071 1 182 . 3 2 1 1 GGL HA H 1 4.393 0.004 . 1 . . . X 102 GGL HA . 19071 1 183 . 3 2 1 1 GGL HB2 H 1 1.856 0.008 . 1 . . . X 102 GGL HB3 . 19071 1 184 . 3 2 1 1 GGL HB3 H 1 2.130 0.000 . 1 . . . X 102 GGL HB3 . 19071 1 185 . 3 2 1 1 GGL HG H 1 2.222 0.003 . 1 . . . X 102 GGL HG . 19071 1 186 . 4 3 1 1 PLM H13 H 1 1.305 0.004 . 1 . . . . 103 PLM H13 . 19071 1 187 . 4 3 1 1 PLM H14 H 1 1.245 0.020 . 1 . . . . 103 PLM H14 . 19071 1 188 . 4 3 1 1 PLM H15 H 1 1.169 0.012 . 1 . . . . 103 PLM H15 . 19071 1 189 . 4 3 1 1 PLM H16 H 1 0.753 0.005 . 1 . . . . 103 PLM H16 . 19071 1 190 . 4 3 1 1 PLM H2 H 1 2.162 0.008 . 1 . . . . 103 PLM H2 . 19071 1 191 . 4 3 1 1 PLM H3 H 1 1.497 0.008 . 1 . . . . 103 PLM H3 . 19071 1 192 . 4 3 1 1 PLM H4 H 1 1.207 0.005 . 1 . . . . 103 PLM H4 . 19071 1 stop_ save_