################################### # 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 34962 _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 TOCSY' . . . 34962 1 2 '2D DQF-COSY' . . . 34962 1 3 '2D 1H-1H NOESY' . . . 34962 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 2.067 0.004 . . . . . . A 0 ACE 1HH3 . 34962 1 2 . 1 . 1 1 1 ACE H2 H 1 2.067 0.004 . . . . . . A 0 ACE 2HH3 . 34962 1 3 . 1 . 1 1 1 ACE H3 H 1 2.067 0.004 . . . . . . A 0 ACE 3HH3 . 34962 1 4 . 1 . 1 2 2 ASP H H 1 8.050 0.011 . . . . . . A 1 ASP H . 34962 1 5 . 1 . 1 2 2 ASP HA H 1 4.709 0.005 . . . . . . A 1 ASP HA . 34962 1 6 . 1 . 1 2 2 ASP HB2 H 1 2.938 0.003 . . . . . . A 1 ASP HB2 . 34962 1 7 . 1 . 1 2 2 ASP HB3 H 1 2.896 0.006 . . . . . . A 1 ASP HB3 . 34962 1 8 . 1 . 1 3 3 GLU H H 1 8.386 0.002 . . . . . . A 2 GLU H . 34962 1 9 . 1 . 1 3 3 GLU HA H 1 4.049 0.005 . . . . . . A 2 GLU HA . 34962 1 10 . 1 . 1 3 3 GLU HB2 H 1 2.114 0.004 . . . . . . A 2 GLU HB2 . 34962 1 11 . 1 . 1 3 3 GLU HB3 H 1 2.114 0.004 . . . . . . A 2 GLU HB3 . 34962 1 12 . 1 . 1 3 3 GLU HG2 H 1 2.488 0.002 . . . . . . A 2 GLU HG2 . 34962 1 13 . 1 . 1 3 3 GLU HG3 H 1 2.488 0.002 . . . . . . A 2 GLU HG3 . 34962 1 14 . 1 . 1 4 4 AIB H H 1 8.081 0.003 . . . . . . A 3 AIB H . 34962 1 15 . 1 . 1 4 4 AIB HB11 H 1 1.459 0.007 . . . . . . A 3 AIB 1HB1 . 34962 1 16 . 1 . 1 4 4 AIB HB12 H 1 1.459 0.007 . . . . . . A 3 AIB 2HB1 . 34962 1 17 . 1 . 1 4 4 AIB HB13 H 1 1.459 0.007 . . . . . . A 3 AIB 3HB1 . 34962 1 18 . 1 . 1 4 4 AIB HB21 H 1 1.459 0.007 . . . . . . A 3 AIB 1HB2 . 34962 1 19 . 1 . 1 4 4 AIB HB22 H 1 1.459 0.007 . . . . . . A 3 AIB 2HB2 . 34962 1 20 . 1 . 1 4 4 AIB HB23 H 1 1.459 0.007 . . . . . . A 3 AIB 3HB2 . 34962 1 21 . 1 . 1 5 5 GLN H H 1 7.949 0.004 . . . . . . A 4 GLN H . 34962 1 22 . 1 . 1 5 5 GLN HA H 1 3.833 0.003 . . . . . . A 4 GLN HA . 34962 1 23 . 1 . 1 5 5 GLN HB3 H 1 1.964 0.009 . . . . . . A 4 GLN HB3 . 34962 1 24 . 1 . 1 5 5 GLN HG2 H 1 2.296 0.006 . . . . . . A 4 GLN HG2 . 34962 1 25 . 1 . 1 5 5 GLN HG3 H 1 2.296 0.006 . . . . . . A 4 GLN HG3 . 34962 1 26 . 1 . 1 5 5 GLN HE21 H 1 6.550 0.006 . . . . . . A 4 GLN HE21 . 34962 1 27 . 1 . 1 5 5 GLN HE22 H 1 7.185 0.001 . . . . . . A 4 GLN HE22 . 34962 1 28 . 1 . 1 6 6 LEU H H 1 7.804 0.002 . . . . . . A 5 LEU H . 34962 1 29 . 1 . 1 6 6 LEU HA H 1 3.868 0.003 . . . . . . A 5 LEU HA . 34962 1 30 . 1 . 1 6 6 LEU HB3 H 1 1.659 0.007 . . . . . . A 5 LEU HB3 . 34962 1 31 . 1 . 1 6 6 LEU HG H 1 1.569 0.003 . . . . . . A 5 LEU HG . 34962 1 32 . 1 . 1 6 6 LEU HD11 H 1 0.813 0.003 . . . . . . A 5 LEU HD11 . 34962 1 33 . 1 . 1 6 6 LEU HD12 H 1 0.813 0.003 . . . . . . A 5 LEU HD12 . 34962 1 34 . 1 . 1 6 6 LEU HD13 H 1 0.813 0.003 . . . . . . A 5 LEU HD13 . 34962 1 35 . 1 . 1 6 6 LEU HD21 H 1 0.718 0.004 . . . . . . A 5 LEU HD21 . 34962 1 36 . 1 . 1 6 6 LEU HD22 H 1 0.718 0.004 . . . . . . A 5 LEU HD22 . 34962 1 37 . 1 . 1 6 6 LEU HD23 H 1 0.718 0.004 . . . . . . A 5 LEU HD23 . 34962 1 38 . 1 . 1 7 7 SER H H 1 7.591 0.002 . . . . . . A 6 SER H . 34962 1 39 . 1 . 1 7 7 SER HA H 1 3.615 0.005 . . . . . . A 6 SER HA . 34962 1 40 . 1 . 1 7 7 SER HB3 H 1 3.559 0.008 . . . . . . A 6 SER HB3 . 34962 1 41 . 1 . 1 8 8 AIB H H 1 7.374 0.004 . . . . . . A 7 AIB H . 34962 1 42 . 1 . 1 8 8 AIB HB11 H 1 1.185 0.005 . . . . . . A 7 AIB 1HB1 . 34962 1 43 . 1 . 1 8 8 AIB HB12 H 1 1.185 0.005 . . . . . . A 7 AIB 2HB1 . 34962 1 44 . 1 . 1 8 8 AIB HB13 H 1 1.185 0.005 . . . . . . A 7 AIB 3HB1 . 34962 1 45 . 1 . 1 8 8 AIB HB21 H 1 0.578 0.005 . . . . . . A 7 AIB 1HB2 . 34962 1 46 . 1 . 1 8 8 AIB HB22 H 1 0.578 0.005 . . . . . . A 7 AIB 2HB2 . 34962 1 47 . 1 . 1 8 8 AIB HB23 H 1 0.578 0.005 . . . . . . A 7 AIB 3HB2 . 34962 1 48 . 1 . 1 9 9 GLN H H 1 7.219 0.004 . . . . . . A 8 GLN H . 34962 1 49 . 1 . 1 9 9 GLN HA H 1 3.458 0.011 . . . . . . A 8 GLN HA . 34962 1 50 . 1 . 1 9 9 GLN HB3 H 1 1.640 0.005 . . . . . . A 8 GLN HB3 . 34962 1 51 . 1 . 1 9 9 GLN HG3 H 1 2.011 0.006 . . . . . . A 8 GLN HG3 . 34962 1 52 . 1 . 1 9 9 GLN HE21 H 1 6.078 0.000 . . . . . . A 8 GLN HE21 . 34962 1 53 . 1 . 1 9 9 GLN HE22 H 1 6.968 0.003 . . . . . . A 8 GLN HE22 . 34962 1 54 . 1 . 1 10 10 DAB H H 1 7.689 0.004 . . . . . . A 9 DAB H . 34962 1 55 . 1 . 1 10 10 DAB HA H 1 3.991 0.005 . . . . . . A 9 DAB HA . 34962 1 56 . 1 . 1 10 10 DAB HB2 H 1 1.872 0.014 . . . . . . A 9 DAB HB3 . 34962 1 57 . 1 . 1 10 10 DAB HB3 H 1 1.621 0.002 . . . . . . A 9 DAB 3HB . 34962 1 58 . 1 . 1 10 10 DAB HD1 H 1 7.686 0.003 . . . . . . A 9 DAB HD . 34962 1 59 . 1 . 1 10 10 DAB HG2 H 1 3.049 0.008 . . . . . . A 9 DAB HG3 . 34962 1 60 . 1 . 1 10 10 DAB HG3 H 1 2.773 0.004 . . . . . . A 9 DAB 3HG . 34962 1 61 . 1 . 1 11 11 ARG H H 1 7.238 0.005 . . . . . . A 10 ARG H . 34962 1 62 . 1 . 1 11 11 ARG HA H 1 3.974 0.007 . . . . . . A 10 ARG HA . 34962 1 63 . 1 . 1 11 11 ARG HB3 H 1 1.863 0.007 . . . . . . A 10 ARG HB3 . 34962 1 64 . 1 . 1 11 11 ARG HG3 H 1 1.445 0.005 . . . . . . A 10 ARG HG3 . 34962 1 65 . 1 . 1 11 11 ARG HD3 H 1 3.054 0.002 . . . . . . A 10 ARG HD3 . 34962 1 66 . 1 . 1 11 11 ARG HE H 1 6.983 0.002 . . . . . . A 10 ARG HE . 34962 1 67 . 1 . 1 12 12 NH2 HN1 H 1 7.242 0.008 . . . . . . A 11 NH2 HN1 . 34962 1 68 . 1 . 1 12 12 NH2 HN2 H 1 6.922 0.003 . . . . . . A 11 NH2 HN2 . 34962 1 69 . 2 . 2 1 1 ACE H1 H 1 2.006 0.003 . . . . . . B 0 ACE 1HH3 . 34962 1 70 . 2 . 2 1 1 ACE H2 H 1 2.006 0.003 . . . . . . B 0 ACE 2HH3 . 34962 1 71 . 2 . 2 1 1 ACE H3 H 1 2.006 0.003 . . . . . . B 0 ACE 3HH3 . 34962 1 72 . 2 . 2 2 2 ASP H H 1 7.874 0.002 . . . . . . B 1 ASP H . 34962 1 73 . 2 . 2 2 2 ASP HA H 1 4.612 0.004 . . . . . . B 1 ASP HA . 34962 1 74 . 2 . 2 2 2 ASP HB2 H 1 2.879 0.003 . . . . . . B 1 ASP HB2 . 34962 1 75 . 2 . 2 2 2 ASP HB3 H 1 2.879 0.003 . . . . . . B 1 ASP HB3 . 34962 1 76 . 2 . 2 3 3 LEU H H 1 8.149 0.002 . . . . . . B 2 LEU H . 34962 1 77 . 2 . 2 3 3 LEU HA H 1 3.317 0.003 . . . . . . B 2 LEU HA . 34962 1 78 . 2 . 2 3 3 LEU HB3 H 1 1.407 0.003 . . . . . . B 2 LEU HB3 . 34962 1 79 . 2 . 2 3 3 LEU HG H 1 1.159 0.004 . . . . . . B 2 LEU HG . 34962 1 80 . 2 . 2 3 3 LEU HD11 H 1 0.909 0.007 . . . . . . B 2 LEU HD11 . 34962 1 81 . 2 . 2 3 3 LEU HD12 H 1 0.909 0.007 . . . . . . B 2 LEU HD12 . 34962 1 82 . 2 . 2 3 3 LEU HD13 H 1 0.909 0.007 . . . . . . B 2 LEU HD13 . 34962 1 83 . 2 . 2 3 3 LEU HD21 H 1 0.696 0.004 . . . . . . B 2 LEU HD21 . 34962 1 84 . 2 . 2 3 3 LEU HD22 H 1 0.696 0.004 . . . . . . B 2 LEU HD22 . 34962 1 85 . 2 . 2 3 3 LEU HD23 H 1 0.696 0.004 . . . . . . B 2 LEU HD23 . 34962 1 86 . 2 . 2 4 4 GLN H H 1 8.348 0.001 . . . . . . B 3 GLN H . 34962 1 87 . 2 . 2 4 4 GLN HA H 1 3.262 0.002 . . . . . . B 3 GLN HA . 34962 1 88 . 2 . 2 4 4 GLN HB3 H 1 1.860 0.004 . . . . . . B 3 GLN HB3 . 34962 1 89 . 2 . 2 4 4 GLN HG3 H 1 2.116 0.006 . . . . . . B 3 GLN HG3 . 34962 1 90 . 2 . 2 4 4 GLN HE21 H 1 6.492 0.002 . . . . . . B 3 GLN HE21 . 34962 1 91 . 2 . 2 4 4 GLN HE22 H 1 7.094 0.002 . . . . . . B 3 GLN HE22 . 34962 1 92 . 2 . 2 5 5 GLN H H 1 7.772 0.004 . . . . . . B 4 GLN H . 34962 1 93 . 2 . 2 5 5 GLN HA H 1 3.680 0.005 . . . . . . B 4 GLN HA . 34962 1 94 . 2 . 2 5 5 GLN HB3 H 1 1.922 0.004 . . . . . . B 4 GLN HB3 . 34962 1 95 . 2 . 2 5 5 GLN HG3 H 1 2.236 0.004 . . . . . . B 4 GLN HG3 . 34962 1 96 . 2 . 2 5 5 GLN HE21 H 1 6.520 0.003 . . . . . . B 4 GLN HE21 . 34962 1 97 . 2 . 2 5 5 GLN HE22 H 1 7.152 0.001 . . . . . . B 4 GLN HE22 . 34962 1 98 . 2 . 2 6 6 LEU H H 1 7.588 0.002 . . . . . . B 5 LEU H . 34962 1 99 . 2 . 2 6 6 LEU HA H 1 3.555 0.002 . . . . . . B 5 LEU HA . 34962 1 100 . 2 . 2 6 6 LEU HB3 H 1 0.952 0.005 . . . . . . B 5 LEU HB3 . 34962 1 101 . 2 . 2 6 6 LEU HG H 1 0.808 0.002 . . . . . . B 5 LEU HG . 34962 1 102 . 2 . 2 6 6 LEU HD11 H 1 0.624 0.003 . . . . . . B 5 LEU HD11 . 34962 1 103 . 2 . 2 6 6 LEU HD12 H 1 0.624 0.003 . . . . . . B 5 LEU HD12 . 34962 1 104 . 2 . 2 6 6 LEU HD13 H 1 0.624 0.003 . . . . . . B 5 LEU HD13 . 34962 1 105 . 2 . 2 6 6 LEU HD21 H 1 0.158 0.002 . . . . . . B 5 LEU HD21 . 34962 1 106 . 2 . 2 6 6 LEU HD22 H 1 0.158 0.002 . . . . . . B 5 LEU HD22 . 34962 1 107 . 2 . 2 6 6 LEU HD23 H 1 0.158 0.002 . . . . . . B 5 LEU HD23 . 34962 1 108 . 2 . 2 7 7 HIS H H 1 6.303 0.002 . . . . . . B 6 HIS H . 34962 1 109 . 2 . 2 7 7 HIS HA H 1 2.330 0.005 . . . . . . B 6 HIS HA . 34962 1 110 . 2 . 2 7 7 HIS HB3 H 1 1.493 0.007 . . . . . . B 6 HIS HB3 . 34962 1 111 . 2 . 2 7 7 HIS HD1 H 1 9.195 0.001 . . . . . . B 6 HIS HD1 . 34962 1 112 . 2 . 2 7 7 HIS HD2 H 1 -0.541 0.003 . . . . . . B 6 HIS HD2 . 34962 1 113 . 2 . 2 7 7 HIS HE1 H 1 -0.183 0.002 . . . . . . B 6 HIS HE1 . 34962 1 114 . 2 . 2 8 8 SER H H 1 7.467 0.001 . . . . . . B 7 SER H . 34962 1 115 . 2 . 2 8 8 SER HA H 1 3.832 0.004 . . . . . . B 7 SER HA . 34962 1 116 . 2 . 2 8 8 SER HB3 H 1 3.755 0.006 . . . . . . B 7 SER HB3 . 34962 1 117 . 2 . 2 9 9 GLN H H 1 7.603 0.002 . . . . . . B 8 GLN H . 34962 1 118 . 2 . 2 9 9 GLN HA H 1 4.123 0.004 . . . . . . B 8 GLN HA . 34962 1 119 . 2 . 2 9 9 GLN HB3 H 1 2.116 0.005 . . . . . . B 8 GLN HB3 . 34962 1 120 . 2 . 2 9 9 GLN HG2 H 1 2.289 0.003 . . . . . . B 8 GLN HG2 . 34962 1 121 . 2 . 2 9 9 GLN HG3 H 1 2.289 0.003 . . . . . . B 8 GLN HG3 . 34962 1 122 . 2 . 2 9 9 GLN HE21 H 1 6.583 0.001 . . . . . . B 8 GLN HE21 . 34962 1 123 . 2 . 2 9 9 GLN HE22 H 1 7.008 0.000 . . . . . . B 8 GLN HE22 . 34962 1 124 . 2 . 2 10 10 LYS H H 1 7.345 0.003 . . . . . . B 9 LYS H . 34962 1 125 . 2 . 2 10 10 LYS HA H 1 3.980 0.007 . . . . . . B 9 LYS HA . 34962 1 126 . 2 . 2 10 10 LYS HB3 H 1 1.692 0.004 . . . . . . B 9 LYS HB3 . 34962 1 127 . 2 . 2 10 10 LYS HG3 H 1 1.529 0.007 . . . . . . B 9 LYS HG3 . 34962 1 128 . 2 . 2 10 10 LYS HD3 H 1 1.459 0.008 . . . . . . B 9 LYS HD3 . 34962 1 129 . 2 . 2 10 10 LYS HE3 H 1 3.142 0.003 . . . . . . B 9 LYS HE3 . 34962 1 130 . 2 . 2 10 10 LYS HZ1 H 1 8.307 0.001 . 1 . . . . B 9 LYS HZ1 . 34962 1 131 . 2 . 2 10 10 LYS HZ2 H 1 8.307 0.001 . 1 . . . . B 9 LYS HZ2 . 34962 1 132 . 2 . 2 10 10 LYS HZ3 H 1 8.307 0.001 . 1 . . . . B 9 LYS HZ3 . 34962 1 133 . 2 . 2 11 11 ARG H H 1 8.011 0.003 . . . . . . B 10 ARG H . 34962 1 134 . 2 . 2 11 11 ARG HA H 1 4.111 0.005 . . . . . . B 10 ARG HA . 34962 1 135 . 2 . 2 11 11 ARG HB3 H 1 1.851 0.005 . . . . . . B 10 ARG HB3 . 34962 1 136 . 2 . 2 11 11 ARG HG3 H 1 1.731 0.010 . . . . . . B 10 ARG HG3 . 34962 1 137 . 2 . 2 11 11 ARG HD3 H 1 3.147 0.002 . . . . . . B 10 ARG HD3 . 34962 1 138 . 2 . 2 11 11 ARG HE H 1 7.035 0.006 . . . . . . B 10 ARG HE . 34962 1 139 . 2 . 2 12 12 LYS H H 1 7.814 0.003 . . . . . . B 11 LYS H . 34962 1 140 . 2 . 2 12 12 LYS HA H 1 4.128 0.004 . . . . . . B 11 LYS HA . 34962 1 141 . 2 . 2 12 12 LYS HB3 H 1 1.935 0.004 . . . . . . B 11 LYS HB3 . 34962 1 142 . 2 . 2 12 12 LYS HG3 H 1 1.538 0.022 . . . . . . B 11 LYS HG3 . 34962 1 143 . 2 . 2 12 12 LYS HD3 H 1 1.691 0.013 . . . . . . B 11 LYS HD3 . 34962 1 144 . 2 . 2 12 12 LYS HE3 H 1 2.966 0.005 . . . . . . B 11 LYS HE3 . 34962 1 145 . 2 . 2 12 12 LYS HZ1 H 1 7.588 0.000 . . . . . . B 11 LYS HZ1 . 34962 1 146 . 2 . 2 12 12 LYS HZ2 H 1 7.588 0.000 . . . . . . B 11 LYS HZ2 . 34962 1 147 . 2 . 2 12 12 LYS HZ3 H 1 7.588 0.000 . . . . . . B 11 LYS HZ3 . 34962 1 148 . 2 . 2 13 13 ILE H H 1 7.951 0.002 . . . . . . B 12 ILE H . 34962 1 149 . 2 . 2 13 13 ILE HA H 1 4.067 0.002 . . . . . . B 12 ILE HA . 34962 1 150 . 2 . 2 13 13 ILE HB H 1 2.053 0.008 . . . . . . B 12 ILE HB . 34962 1 151 . 2 . 2 13 13 ILE HG13 H 1 1.305 0.004 . . . . . . B 12 ILE HG13 . 34962 1 152 . 2 . 2 13 13 ILE HG21 H 1 1.054 0.005 . . . . . . B 12 ILE HG21 . 34962 1 153 . 2 . 2 13 13 ILE HG22 H 1 1.054 0.005 . . . . . . B 12 ILE HG22 . 34962 1 154 . 2 . 2 13 13 ILE HG23 H 1 1.054 0.005 . . . . . . B 12 ILE HG23 . 34962 1 155 . 2 . 2 13 13 ILE HD11 H 1 0.959 0.005 . . . . . . B 12 ILE HD11 . 34962 1 156 . 2 . 2 13 13 ILE HD12 H 1 0.959 0.005 . . . . . . B 12 ILE HD12 . 34962 1 157 . 2 . 2 13 13 ILE HD13 H 1 0.959 0.005 . . . . . . B 12 ILE HD13 . 34962 1 158 . 2 . 2 14 14 THR H H 1 7.943 0.002 . . . . . . B 13 THR H . 34962 1 159 . 2 . 2 14 14 THR HA H 1 4.358 0.003 . . . . . . B 13 THR HA . 34962 1 160 . 2 . 2 14 14 THR HB H 1 4.402 0.005 . . . . . . B 13 THR HB . 34962 1 161 . 2 . 2 14 14 THR HG21 H 1 1.452 0.007 . . . . . . B 13 THR HG21 . 34962 1 162 . 2 . 2 14 14 THR HG22 H 1 1.452 0.007 . . . . . . B 13 THR HG22 . 34962 1 163 . 2 . 2 14 14 THR HG23 H 1 1.452 0.007 . . . . . . B 13 THR HG23 . 34962 1 164 . 2 . 2 15 15 LEU H H 1 7.950 0.002 . . . . . . B 14 LEU H . 34962 1 165 . 2 . 2 15 15 LEU HA H 1 4.422 0.005 . . . . . . B 14 LEU HA . 34962 1 166 . 2 . 2 15 15 LEU HB3 H 1 1.849 0.008 . . . . . . B 14 LEU HB3 . 34962 1 167 . 2 . 2 15 15 LEU HD11 H 1 0.971 0.005 . . . . . . B 14 LEU HD11 . 34962 1 168 . 2 . 2 15 15 LEU HD12 H 1 0.971 0.005 . . . . . . B 14 LEU HD12 . 34962 1 169 . 2 . 2 15 15 LEU HD13 H 1 0.971 0.005 . . . . . . B 14 LEU HD13 . 34962 1 170 . 2 . 2 15 15 LEU HD21 H 1 0.971 0.005 . . . . . . B 14 LEU HD21 . 34962 1 171 . 2 . 2 15 15 LEU HD22 H 1 0.971 0.005 . . . . . . B 14 LEU HD22 . 34962 1 172 . 2 . 2 15 15 LEU HD23 H 1 0.971 0.005 . . . . . . B 14 LEU HD23 . 34962 1 173 . 2 . 2 16 16 NH2 HN1 H 1 7.262 0.001 . . . . . . B 15 NH2 HN1 . 34962 1 174 . 2 . 2 16 16 NH2 HN2 H 1 6.925 0.002 . . . . . . B 15 NH2 HN2 . 34962 1 stop_ save_