################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34959 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 34959 1 2 '2D DQF-COSY' . . . 34959 1 3 '2D 1H-1H TOCSY' . . . 34959 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ACE H1 H 1 2.054 0.005 . . . . . . A 0 ACE H1 . 34959 1 2 . 1 . 1 1 1 ACE H2 H 1 2.054 0.005 . . . . . . A 0 ACE H2 . 34959 1 3 . 1 . 1 1 1 ACE H3 H 1 2.054 0.005 . . . . . . A 0 ACE H3 . 34959 1 4 . 1 . 1 2 2 ASP H H 1 8.007 0.002 . . . . . . A 1 ASP H . 34959 1 5 . 1 . 1 2 2 ASP HA H 1 4.623 0.004 . . . . . . A 1 ASP HA . 34959 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.794 0.010 . . . . . . A 1 ASP HB2 . 34959 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.794 0.010 . . . . . . A 1 ASP HB3 . 34959 1 8 . 1 . 1 3 3 GLU H H 1 8.485 0.002 . . . . . . A 2 GLU H . 34959 1 9 . 1 . 1 3 3 GLU HA H 1 4.003 0.008 . . . . . . A 2 GLU HA . 34959 1 10 . 1 . 1 3 3 GLU HB2 H 1 2.054 0.005 . . . . . . A 2 GLU HB2 . 34959 1 11 . 1 . 1 3 3 GLU HB3 H 1 2.054 0.005 . . . . . . A 2 GLU HB3 . 34959 1 12 . 1 . 1 3 3 GLU HG2 H 1 2.427 0.002 . . . . . . A 2 GLU HG2 . 34959 1 13 . 1 . 1 3 3 GLU HG3 H 1 2.427 0.002 . . . . . . A 2 GLU HG3 . 34959 1 14 . 1 . 1 4 4 AIB H H 1 8.107 0.002 . . . . . . A 3 AIB H . 34959 1 15 . 1 . 1 4 4 AIB HB11 H 1 1.428 0.009 . . . . . . A 3 AIB HB11 . 34959 1 16 . 1 . 1 4 4 AIB HB12 H 1 1.428 0.009 . . . . . . A 3 AIB HB12 . 34959 1 17 . 1 . 1 4 4 AIB HB13 H 1 1.428 0.009 . . . . . . A 3 AIB HB13 . 34959 1 18 . 1 . 1 4 4 AIB HB21 H 1 1.428 0.009 . . . . . . A 3 AIB HB21 . 34959 1 19 . 1 . 1 4 4 AIB HB22 H 1 1.428 0.009 . . . . . . A 3 AIB HB22 . 34959 1 20 . 1 . 1 4 4 AIB HB23 H 1 1.428 0.009 . . . . . . A 3 AIB HB23 . 34959 1 21 . 1 . 1 5 5 GLN H H 1 7.919 0.003 . . . . . . A 4 GLN H . 34959 1 22 . 1 . 1 5 5 GLN HA H 1 3.801 0.002 . . . . . . A 4 GLN HA . 34959 1 23 . 1 . 1 5 5 GLN HB3 H 1 1.942 0.003 . . . . . . A 4 GLN HB3 . 34959 1 24 . 1 . 1 5 5 GLN HG2 H 1 2.276 0.007 . . . . . . A 4 GLN HG2 . 34959 1 25 . 1 . 1 5 5 GLN HG3 H 1 2.276 0.007 . . . . . . A 4 GLN HG3 . 34959 1 26 . 1 . 1 5 5 GLN HE21 H 1 6.550 0.004 . . . . . . A 4 GLN HE21 . 34959 1 27 . 1 . 1 5 5 GLN HE22 H 1 7.267 0.001 . . . . . . A 4 GLN HE22 . 34959 1 28 . 1 . 1 6 6 LEU H H 1 7.808 0.003 . . . . . . A 5 LEU H . 34959 1 29 . 1 . 1 6 6 LEU HA H 1 3.794 0.004 . . . . . . A 5 LEU HA . 34959 1 30 . 1 . 1 6 6 LEU HB3 H 1 1.645 0.008 . . . . . . A 5 LEU HB3 . 34959 1 31 . 1 . 1 6 6 LEU HG H 1 1.302 0.004 . . . . . . A 5 LEU HG . 34959 1 32 . 1 . 1 6 6 LEU HD11 H 1 0.800 0.003 . . . . . . A 5 LEU HD11 . 34959 1 33 . 1 . 1 6 6 LEU HD12 H 1 0.800 0.003 . . . . . . A 5 LEU HD12 . 34959 1 34 . 1 . 1 6 6 LEU HD13 H 1 0.800 0.003 . . . . . . A 5 LEU HD13 . 34959 1 35 . 1 . 1 6 6 LEU HD21 H 1 0.697 0.004 . . . . . . A 5 LEU HD21 . 34959 1 36 . 1 . 1 6 6 LEU HD22 H 1 0.697 0.004 . . . . . . A 5 LEU HD22 . 34959 1 37 . 1 . 1 6 6 LEU HD23 H 1 0.697 0.004 . . . . . . A 5 LEU HD23 . 34959 1 38 . 1 . 1 7 7 SER H H 1 7.586 0.005 . . . . . . A 6 SER H . 34959 1 39 . 1 . 1 7 7 SER HA H 1 3.655 0.003 . . . . . . A 6 SER HA . 34959 1 40 . 1 . 1 7 7 SER HB3 H 1 3.577 0.002 . . . . . . A 6 SER HB3 . 34959 1 41 . 1 . 1 8 8 AIB H H 1 7.424 0.003 . . . . . . A 7 AIB H . 34959 1 42 . 1 . 1 8 8 AIB HB11 H 1 1.193 0.002 . . . . . . A 7 AIB HB11 . 34959 1 43 . 1 . 1 8 8 AIB HB12 H 1 1.193 0.002 . . . . . . A 7 AIB HB12 . 34959 1 44 . 1 . 1 8 8 AIB HB13 H 1 1.193 0.002 . . . . . . A 7 AIB HB13 . 34959 1 45 . 1 . 1 8 8 AIB HB21 H 1 0.806 0.003 . . . . . . A 7 AIB HB21 . 34959 1 46 . 1 . 1 8 8 AIB HB22 H 1 0.806 0.003 . . . . . . A 7 AIB HB22 . 34959 1 47 . 1 . 1 8 8 AIB HB23 H 1 0.806 0.003 . . . . . . A 7 AIB HB23 . 34959 1 48 . 1 . 1 9 9 GLN H H 1 7.352 0.002 . . . . . . A 8 GLN H . 34959 1 49 . 1 . 1 9 9 GLN HA H 1 3.530 0.007 . . . . . . A 8 GLN HA . 34959 1 50 . 1 . 1 9 9 GLN HB3 H 1 1.575 0.006 . . . . . . A 8 GLN HB3 . 34959 1 51 . 1 . 1 9 9 GLN HG3 H 1 2.032 0.005 . . . . . . A 8 GLN HG3 . 34959 1 52 . 1 . 1 9 9 GLN HE21 H 1 6.055 0.003 . . . . . . A 8 GLN HE21 . 34959 1 53 . 1 . 1 9 9 GLN HE22 H 1 6.976 0.002 . . . . . . A 8 GLN HE22 . 34959 1 54 . 1 . 1 10 10 DAB H H 1 7.558 0.003 . . . . . . A 9 DAB H . 34959 1 55 . 1 . 1 10 10 DAB HA H 1 3.994 0.007 . . . . . . A 9 DAB HA . 34959 1 56 . 1 . 1 10 10 DAB HB3 H 1 1.606 0.007 . . . . . . A 9 DAB HB3 . 34959 1 57 . 1 . 1 10 10 DAB HD1 H 1 7.552 0.002 . . . . . . A 9 DAB HD1 . 34959 1 58 . 1 . 1 10 10 DAB HG3 H 1 2.930 0.005 . . . . . . A 9 DAB HG3 . 34959 1 59 . 1 . 1 11 11 ARG H H 1 7.558 0.003 . . . . . . A 10 ARG H . 34959 1 60 . 1 . 1 11 11 ARG HA H 1 3.990 0.003 . . . . . . A 10 ARG HA . 34959 1 61 . 1 . 1 11 11 ARG HB3 H 1 1.828 0.006 . . . . . . A 10 ARG HB3 . 34959 1 62 . 1 . 1 11 11 ARG HG3 H 1 1.448 0.011 . . . . . . A 10 ARG HG3 . 34959 1 63 . 1 . 1 11 11 ARG HD3 H 1 3.042 0.006 . . . . . . A 10 ARG HD3 . 34959 1 64 . 1 . 1 11 11 ARG HE H 1 6.984 0.003 . . . . . . A 10 ARG HE . 34959 1 65 . 1 . 1 12 12 NH2 HN1 H 1 7.159 0.006 . . . . . . A 11 NH2 HN1 . 34959 1 66 . 1 . 1 12 12 NH2 HN2 H 1 6.847 0.001 . . . . . . A 11 NH2 HN2 . 34959 1 67 . 2 . 2 1 1 ACE H1 H 1 1.985 0.004 . . . . . . B 0 ACE H1 . 34959 1 68 . 2 . 2 1 1 ACE H2 H 1 1.985 0.004 . . . . . . B 0 ACE H2 . 34959 1 69 . 2 . 2 1 1 ACE H3 H 1 1.985 0.004 . . . . . . B 0 ACE H3 . 34959 1 70 . 2 . 2 2 2 ASP H H 1 7.727 0.004 . . . . . . B 1 ASP H . 34959 1 71 . 2 . 2 2 2 ASP HA H 1 4.550 0.002 . . . . . . B 1 ASP HA . 34959 1 72 . 2 . 2 2 2 ASP HB2 H 1 2.715 0.002 . . . . . . B 1 ASP HB2 . 34959 1 73 . 2 . 2 2 2 ASP HB3 H 1 2.715 0.002 . . . . . . B 1 ASP HB3 . 34959 1 74 . 2 . 2 3 3 LEU H H 1 8.176 0.004 . . . . . . B 2 LEU H . 34959 1 75 . 2 . 2 3 3 LEU HA H 1 3.339 0.006 . . . . . . B 2 LEU HA . 34959 1 76 . 2 . 2 3 3 LEU HB3 H 1 1.423 0.005 . . . . . . B 2 LEU HB3 . 34959 1 77 . 2 . 2 3 3 LEU HG H 1 0.471 0.010 . . . . . . B 2 LEU HG . 34959 1 78 . 2 . 2 3 3 LEU HD11 H 1 0.976 0.004 . . . . . . B 2 LEU HD11 . 34959 1 79 . 2 . 2 3 3 LEU HD12 H 1 0.976 0.004 . . . . . . B 2 LEU HD12 . 34959 1 80 . 2 . 2 3 3 LEU HD13 H 1 0.976 0.004 . . . . . . B 2 LEU HD13 . 34959 1 81 . 2 . 2 3 3 LEU HD21 H 1 0.682 0.003 . . . . . . B 2 LEU HD21 . 34959 1 82 . 2 . 2 3 3 LEU HD22 H 1 0.682 0.003 . . . . . . B 2 LEU HD22 . 34959 1 83 . 2 . 2 3 3 LEU HD23 H 1 0.682 0.003 . . . . . . B 2 LEU HD23 . 34959 1 84 . 2 . 2 4 4 GLN H H 1 8.256 0.002 . . . . . . B 3 GLN H . 34959 1 85 . 2 . 2 4 4 GLN HA H 1 3.295 0.003 . . . . . . B 3 GLN HA . 34959 1 86 . 2 . 2 4 4 GLN HB3 H 1 1.902 0.008 . . . . . . B 3 GLN HB3 . 34959 1 87 . 2 . 2 4 4 GLN HG3 H 1 2.045 0.004 . . . . . . B 3 GLN HG3 . 34959 1 88 . 2 . 2 4 4 GLN HE21 H 1 6.494 0.003 . . . . . . B 3 GLN HE21 . 34959 1 89 . 2 . 2 4 4 GLN HE22 H 1 7.180 0.003 . . . . . . B 3 GLN HE22 . 34959 1 90 . 2 . 2 5 5 GLN H H 1 7.983 0.003 . . . . . . B 4 GLN H . 34959 1 91 . 2 . 2 5 5 GLN HA H 1 3.684 0.002 . . . . . . B 4 GLN HA . 34959 1 92 . 2 . 2 5 5 GLN HB3 H 1 1.903 0.005 . . . . . . B 4 GLN HB3 . 34959 1 93 . 2 . 2 5 5 GLN HG3 H 1 2.279 0.009 . . . . . . B 4 GLN HG3 . 34959 1 94 . 2 . 2 5 5 GLN HE22 H 1 7.267 0.001 . . . . . . B 4 GLN HE22 . 34959 1 95 . 2 . 2 6 6 LEU H H 1 7.633 0.003 . . . . . . B 5 LEU H . 34959 1 96 . 2 . 2 6 6 LEU HA H 1 3.538 0.004 . . . . . . B 5 LEU HA . 34959 1 97 . 2 . 2 6 6 LEU HB3 H 1 1.056 0.009 . . . . . . B 5 LEU HB3 . 34959 1 98 . 2 . 2 6 6 LEU HG H 1 0.792 0.007 . . . . . . B 5 LEU HG . 34959 1 99 . 2 . 2 6 6 LEU HD11 H 1 0.586 0.006 . . . . . . B 5 LEU HD11 . 34959 1 100 . 2 . 2 6 6 LEU HD12 H 1 0.586 0.006 . . . . . . B 5 LEU HD12 . 34959 1 101 . 2 . 2 6 6 LEU HD13 H 1 0.586 0.006 . . . . . . B 5 LEU HD13 . 34959 1 102 . 2 . 2 6 6 LEU HD21 H 1 0.008 0.004 . . . . . . B 5 LEU HD21 . 34959 1 103 . 2 . 2 6 6 LEU HD22 H 1 0.008 0.004 . . . . . . B 5 LEU HD22 . 34959 1 104 . 2 . 2 6 6 LEU HD23 H 1 0.008 0.004 . . . . . . B 5 LEU HD23 . 34959 1 105 . 2 . 2 7 7 HIS H H 1 6.328 0.003 . . . . . . B 6 HIS H . 34959 1 106 . 2 . 2 7 7 HIS HA H 1 2.299 0.006 . . . . . . B 6 HIS HA . 34959 1 107 . 2 . 2 7 7 HIS HB3 H 1 1.481 0.007 . . . . . . B 6 HIS HB3 . 34959 1 108 . 2 . 2 7 7 HIS HD1 H 1 9.268 0.003 . . . . . . B 6 HIS HD1 . 34959 1 109 . 2 . 2 7 7 HIS HD2 H 1 -0.456 0.002 . . . . . . B 6 HIS HD2 . 34959 1 110 . 2 . 2 7 7 HIS HE1 H 1 -0.202 0.003 . . . . . . B 6 HIS HE1 . 34959 1 111 . 2 . 2 8 8 SER H H 1 7.523 0.002 . . . . . . B 7 SER H . 34959 1 112 . 2 . 2 8 8 SER HA H 1 3.792 0.006 . . . . . . B 7 SER HA . 34959 1 113 . 2 . 2 8 8 SER HB3 H 1 3.739 0.002 . . . . . . B 7 SER HB3 . 34959 1 114 . 2 . 2 9 9 GLN H H 1 7.704 0.002 . . . . . . B 8 GLN H . 34959 1 115 . 2 . 2 9 9 GLN HA H 1 4.044 0.005 . . . . . . B 8 GLN HA . 34959 1 116 . 2 . 2 9 9 GLN HB3 H 1 2.050 0.008 . . . . . . B 8 GLN HB3 . 34959 1 117 . 2 . 2 9 9 GLN HG3 H 1 2.286 0.007 . . . . . . B 8 GLN HG3 . 34959 1 118 . 2 . 2 9 9 GLN HE21 H 1 6.600 0.004 . . . . . . B 8 GLN HE21 . 34959 1 119 . 2 . 2 9 9 GLN HE22 H 1 6.980 0.003 . . . . . . B 8 GLN HE22 . 34959 1 120 . 2 . 2 10 10 LYS H H 1 7.447 0.002 . . . . . . B 9 LYS H . 34959 1 121 . 2 . 2 10 10 LYS HA H 1 3.938 0.006 . . . . . . B 9 LYS HA . 34959 1 122 . 2 . 2 10 10 LYS HB3 H 1 1.636 0.010 . . . . . . B 9 LYS HB3 . 34959 1 123 . 2 . 2 10 10 LYS HG3 H 1 1.460 0.013 . . . . . . B 9 LYS HG3 . 34959 1 124 . 2 . 2 10 10 LYS HD3 H 1 2.204 0.005 . . . . . . B 9 LYS HD3 . 34959 1 125 . 2 . 2 10 10 LYS HE3 H 1 3.167 0.008 . . . . . . B 9 LYS HE3 . 34959 1 126 . 2 . 2 10 10 LYS HZ1 H 1 8.499 0.003 . 1 . . . . B 9 LYS HZ1 . 34959 1 127 . 2 . 2 10 10 LYS HZ2 H 1 8.499 0.003 . 1 . . . . B 9 LYS HZ2 . 34959 1 128 . 2 . 2 10 10 LYS HZ3 H 1 8.499 0.003 . 1 . . . . B 9 LYS HZ3 . 34959 1 129 . 2 . 2 11 11 ARG H H 1 8.047 0.002 . . . . . . B 10 ARG H . 34959 1 130 . 2 . 2 11 11 ARG HA H 1 4.029 0.003 . . . . . . B 10 ARG HA . 34959 1 131 . 2 . 2 11 11 ARG HB3 H 1 1.824 0.004 . . . . . . B 10 ARG HB3 . 34959 1 132 . 2 . 2 11 11 ARG HG3 H 1 1.717 0.007 . . . . . . B 10 ARG HG3 . 34959 1 133 . 2 . 2 11 11 ARG HD3 H 1 3.109 0.002 . . . . . . B 10 ARG HD3 . 34959 1 134 . 2 . 2 11 11 ARG HE H 1 6.966 0.002 . . . . . . B 10 ARG HE . 34959 1 135 . 2 . 2 12 12 LYS H H 1 7.793 0.003 . . . . . . B 11 LYS H . 34959 1 136 . 2 . 2 12 12 LYS HA H 1 4.071 0.004 . . . . . . B 11 LYS HA . 34959 1 137 . 2 . 2 12 12 LYS HB3 H 1 1.939 0.007 . . . . . . B 11 LYS HB3 . 34959 1 138 . 2 . 2 12 12 LYS HG3 H 1 1.547 0.006 . . . . . . B 11 LYS HG3 . 34959 1 139 . 2 . 2 12 12 LYS HD3 H 1 1.665 0.009 . . . . . . B 11 LYS HD3 . 34959 1 140 . 2 . 2 13 13 ILE H H 1 7.980 0.004 . . . . . . B 12 ILE H . 34959 1 141 . 2 . 2 13 13 ILE HA H 1 4.027 0.008 . . . . . . B 12 ILE HA . 34959 1 142 . 2 . 2 13 13 ILE HB H 1 2.041 0.005 . . . . . . B 12 ILE HB . 34959 1 143 . 2 . 2 13 13 ILE HG13 H 1 1.706 0.010 . . . . . . B 12 ILE HG13 . 34959 1 144 . 2 . 2 13 13 ILE HG21 H 1 1.035 0.003 . . . . . . B 12 ILE HG21 . 34959 1 145 . 2 . 2 13 13 ILE HG22 H 1 1.035 0.003 . . . . . . B 12 ILE HG22 . 34959 1 146 . 2 . 2 13 13 ILE HG23 H 1 1.035 0.003 . . . . . . B 12 ILE HG23 . 34959 1 147 . 2 . 2 13 13 ILE HD11 H 1 0.936 0.006 . . . . . . B 12 ILE HD11 . 34959 1 148 . 2 . 2 13 13 ILE HD12 H 1 0.936 0.006 . . . . . . B 12 ILE HD12 . 34959 1 149 . 2 . 2 13 13 ILE HD13 H 1 0.936 0.006 . . . . . . B 12 ILE HD13 . 34959 1 150 . 2 . 2 14 14 THR H H 1 7.969 0.004 . . . . . . B 13 THR H . 34959 1 151 . 2 . 2 14 14 THR HA H 1 4.407 0.003 . . . . . . B 13 THR HA . 34959 1 152 . 2 . 2 14 14 THR HB H 1 4.329 0.005 . . . . . . B 13 THR HB . 34959 1 153 . 2 . 2 14 14 THR HG21 H 1 1.457 0.005 . . . . . . B 13 THR HG21 . 34959 1 154 . 2 . 2 14 14 THR HG22 H 1 1.457 0.005 . . . . . . B 13 THR HG22 . 34959 1 155 . 2 . 2 14 14 THR HG23 H 1 1.457 0.005 . . . . . . B 13 THR HG23 . 34959 1 156 . 2 . 2 15 15 LEU H H 1 7.981 0.005 . . . . . . B 14 LEU H . 34959 1 157 . 2 . 2 15 15 LEU HA H 1 4.418 0.003 . . . . . . B 14 LEU HA . 34959 1 158 . 2 . 2 15 15 LEU HB3 H 1 1.845 0.007 . . . . . . B 14 LEU HB3 . 34959 1 159 . 2 . 2 15 15 LEU HG H 1 1.664 0.007 . . . . . . B 14 LEU HG . 34959 1 160 . 2 . 2 15 15 LEU HD11 H 1 0.978 0.006 . . . . . . B 14 LEU HD11 . 34959 1 161 . 2 . 2 15 15 LEU HD12 H 1 0.978 0.006 . . . . . . B 14 LEU HD12 . 34959 1 162 . 2 . 2 15 15 LEU HD13 H 1 0.978 0.006 . . . . . . B 14 LEU HD13 . 34959 1 163 . 2 . 2 15 15 LEU HD21 H 1 0.978 0.006 . . . . . . B 14 LEU HD21 . 34959 1 164 . 2 . 2 15 15 LEU HD22 H 1 0.978 0.006 . . . . . . B 14 LEU HD22 . 34959 1 165 . 2 . 2 15 15 LEU HD23 H 1 0.978 0.006 . . . . . . B 14 LEU HD23 . 34959 1 166 . 2 . 2 16 16 NH2 HN1 H 1 7.239 0.002 . . . . . . B 15 NH2 HN1 . 34959 1 167 . 2 . 2 16 16 NH2 HN2 H 1 6.962 0.004 . . . . . . B 15 NH2 HN2 . 34959 1 stop_ save_