################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7153 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 unknown 1 $sample_1 isotropic 7153 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 4.00 . . . . . . . 1 LYS HA . 7153 1 2 . 1 1 1 1 LYS HB2 H 1 1.91 . . . . . . . 1 LYS HB2 . 7153 1 3 . 1 1 1 1 LYS HB3 H 1 1.72 . . . . . . . 1 LYS HB3 . 7153 1 4 . 1 1 1 1 LYS HG2 H 1 1.47 . . . . . . . 1 LYS HG2 . 7153 1 5 . 1 1 1 1 LYS HG3 H 1 1.47 . . . . . . . 1 LYS HG3 . 7153 1 6 . 1 1 1 1 LYS HD2 H 1 3.00 . . . . . . . 1 LYS HD2 . 7153 1 7 . 1 1 1 1 LYS HD3 H 1 3.00 . . . . . . . 1 LYS HD3 . 7153 1 8 . 1 1 1 1 LYS HE2 H 1 1.70 . . . . . . . 1 LYS HE2 . 7153 1 9 . 1 1 1 1 LYS HE3 H 1 1.70 . . . . . . . 1 LYS HE3 . 7153 1 10 . 1 1 2 2 ALA H H 1 8.82 . . . . . . . 2 ALA H . 7153 1 11 . 1 1 2 2 ALA HA H 1 4.43 . . . . . . . 2 ALA HA . 7153 1 12 . 1 1 2 2 ALA HB1 H 1 1.38 . . . . . . . 2 ALA HB . 7153 1 13 . 1 1 2 2 ALA HB2 H 1 1.38 . . . . . . . 2 ALA HB . 7153 1 14 . 1 1 2 2 ALA HB3 H 1 1.38 . . . . . . . 2 ALA HB . 7153 1 15 . 1 1 3 3 ILE H H 1 8.48 . . . . . . . 3 ILE H . 7153 1 16 . 1 1 3 3 ILE HA H 1 4.18 . . . . . . . 3 ILE HA . 7153 1 17 . 1 1 3 3 ILE HB H 1 1.88 . . . . . . . 3 ILE HB . 7153 1 18 . 1 1 3 3 ILE HG12 H 1 0.93 . . . . . . . 3 ILE HG12 . 7153 1 19 . 1 1 3 3 ILE HG13 H 1 1.43 . . . . . . . 3 ILE HG13 . 7153 1 20 . 1 1 3 3 ILE HG21 H 1 1.23 . . . . . . . 3 ILE HG2 . 7153 1 21 . 1 1 3 3 ILE HG22 H 1 1.23 . . . . . . . 3 ILE HG2 . 7153 1 22 . 1 1 3 3 ILE HG23 H 1 1.23 . . . . . . . 3 ILE HG2 . 7153 1 23 . 1 1 3 3 ILE HD11 H 1 0.90 . . . . . . . 3 ILE HD1 . 7153 1 24 . 1 1 3 3 ILE HD12 H 1 0.90 . . . . . . . 3 ILE HD1 . 7153 1 25 . 1 1 3 3 ILE HD13 H 1 0.90 . . . . . . . 3 ILE HD1 . 7153 1 26 . 1 1 4 4 GLY H H 1 8.56 . . . . . . . 4 GLY H . 7153 1 27 . 1 1 4 4 GLY HA2 H 1 4.01 . . . . . . . 4 GLY HA2 . 7153 1 28 . 1 1 4 4 GLY HA3 H 1 3.92 . . . . . . . 4 GLY HA3 . 7153 1 29 . 1 1 5 5 ARG H H 1 8.41 . . . . . . . 5 ARG H . 7153 1 30 . 1 1 5 5 ARG HA H 1 4.39 . . . . . . . 5 ARG HA . 7153 1 31 . 1 1 5 5 ARG HB2 H 1 1.85 . . . . . . . 5 ARG HB2 . 7153 1 32 . 1 1 5 5 ARG HB3 H 1 1.75 . . . . . . . 5 ARG HB3 . 7153 1 33 . 1 1 5 5 ARG HG2 H 1 1.61 . . . . . . . 5 ARG HG2 . 7153 1 34 . 1 1 5 5 ARG HG3 H 1 1.61 . . . . . . . 5 ARG HG3 . 7153 1 35 . 1 1 5 5 ARG HD2 H 1 3.20 . . . . . . . 5 ARG HD2 . 7153 1 36 . 1 1 5 5 ARG HD3 H 1 3.20 . . . . . . . 5 ARG HD3 . 7153 1 37 . 1 1 5 5 ARG HH11 H 1 7.24 . . . . . . . 5 ARG NH1 . 7153 1 38 . 1 1 6 6 ASN H H 1 8.72 . . . . . . . 6 ASN H . 7153 1 39 . 1 1 6 6 ASN HA H 1 4.82 . . . . . . . 6 ASN HA . 7153 1 40 . 1 1 6 6 ASN HB2 H 1 2.85 . . . . . . . 6 ASN HB2 . 7153 1 41 . 1 1 6 6 ASN HB3 H 1 2.85 . . . . . . . 6 ASN HB3 . 7153 1 42 . 1 1 6 6 ASN HD21 H 1 7.69 . . . . . . . 6 ASN HD21 . 7153 1 43 . 1 1 6 6 ASN HD22 H 1 7.00 . . . . . . . 6 ASN HD22 . 7153 1 44 . 1 1 7 7 THR H H 1 8.37 . . . . . . . 7 THR H . 7153 1 45 . 1 1 7 7 THR HA H 1 4.33 . . . . . . . 7 THR HA . 7153 1 46 . 1 1 7 7 THR HB H 1 4.33 . . . . . . . 7 THR HB2 . 7153 1 47 . 1 1 7 7 THR HG21 H 1 1.19 . . . . . . . 7 THR HG . 7153 1 48 . 1 1 7 7 THR HG22 H 1 1.19 . . . . . . . 7 THR HG . 7153 1 49 . 1 1 7 7 THR HG23 H 1 1.19 . . . . . . . 7 THR HG . 7153 1 50 . 1 1 8 8 ASN H H 1 8.57 . . . . . . . 8 ASN H . 7153 1 51 . 1 1 8 8 ASN HA H 1 4.72 . . . . . . . 8 ASN HA . 7153 1 52 . 1 1 8 8 ASN HB2 H 1 2.85 . . . . . . . 8 ASN HB2 . 7153 1 53 . 1 1 8 8 ASN HB3 H 1 2.85 . . . . . . . 8 ASN HB3 . 7153 1 54 . 1 1 8 8 ASN HD21 H 1 7.69 . . . . . . . 8 ASN HD21 . 7153 1 55 . 1 1 8 8 ASN HD22 H 1 7.00 . . . . . . . 8 ASN HD22 . 7153 1 56 . 1 1 9 9 GLY H H 1 8.42 . . . . . . . 9 GLY H . 7153 1 57 . 1 1 9 9 GLY HA2 H 1 3.99 . . . . . . . 9 GLY HA2 . 7153 1 58 . 1 1 9 9 GLY HA3 H 1 3.89 . . . . . . . 9 GLY HA3 . 7153 1 59 . 1 1 10 10 VAL H H 1 8.00 . . . . . . . 10 VAL H . 7153 1 60 . 1 1 10 10 VAL HA H 1 4.09 . . . . . . . 10 VAL HA . 7153 1 61 . 1 1 10 10 VAL HB H 1 2.04 . . . . . . . 10 VAL HB . 7153 1 62 . 1 1 10 10 VAL HG11 H 1 0.93 . . . . . . . 10 VAL HG1 . 7153 1 63 . 1 1 10 10 VAL HG12 H 1 0.93 . . . . . . . 10 VAL HG1 . 7153 1 64 . 1 1 10 10 VAL HG13 H 1 0.93 . . . . . . . 10 VAL HG1 . 7153 1 65 . 1 1 11 11 ILE H H 1 8.49 . . . . . . . 11 ILE H . 7153 1 66 . 1 1 11 11 ILE HA H 1 4.27 . . . . . . . 11 ILE HA . 7153 1 67 . 1 1 11 11 ILE HB H 1 1.87 . . . . . . . 11 ILE HB . 7153 1 68 . 1 1 11 11 ILE HG12 H 1 1.49 . . . . . . . 11 ILE HG12 . 7153 1 69 . 1 1 11 11 ILE HG13 H 1 1.20 . . . . . . . 11 ILE HG13 . 7153 1 70 . 1 1 11 11 ILE HG21 H 1 0.92 . . . . . . . 11 ILE HG2 . 7153 1 71 . 1 1 11 11 ILE HG22 H 1 0.92 . . . . . . . 11 ILE HG2 . 7153 1 72 . 1 1 11 11 ILE HG23 H 1 0.92 . . . . . . . 11 ILE HG2 . 7153 1 73 . 1 1 11 11 ILE HD11 H 1 0.88 . . . . . . . 11 ILE HD1 . 7153 1 74 . 1 1 11 11 ILE HD12 H 1 0.88 . . . . . . . 11 ILE HD1 . 7153 1 75 . 1 1 11 11 ILE HD13 H 1 0.88 . . . . . . . 11 ILE HD1 . 7153 1 76 . 1 1 12 12 THR H H 1 8.39 . . . . . . . 12 THR H . 7153 1 77 . 1 1 12 12 THR HA H 1 4.34 . . . . . . . 12 THR HA . 7153 1 78 . 1 1 12 12 THR HB H 1 4.17 . . . . . . . 12 THR HB . 7153 1 79 . 1 1 12 12 THR HG21 H 1 1.20 . . . . . . . 12 THR HG2 . 7153 1 80 . 1 1 12 12 THR HG22 H 1 1.20 . . . . . . . 12 THR HG2 . 7153 1 81 . 1 1 12 12 THR HG23 H 1 1.20 . . . . . . . 12 THR HG2 . 7153 1 82 . 1 1 13 13 LYS H H 1 8.48 . . . . . . . 13 LYS H . 7153 1 83 . 1 1 13 13 LYS HA H 1 4.39 . . . . . . . 13 LYS HA . 7153 1 84 . 1 1 13 13 LYS HB2 H 1 1.83 . . . . . . . 13 LYS HB2 . 7153 1 85 . 1 1 13 13 LYS HB3 H 1 1.75 . . . . . . . 13 LYS HB3 . 7153 1 86 . 1 1 13 13 LYS HG2 H 1 1.62 . . . . . . . 13 LYS HG2 . 7153 1 87 . 1 1 13 13 LYS HG3 H 1 1.62 . . . . . . . 13 LYS HG3 . 7153 1 88 . 1 1 13 13 LYS HD2 H 1 3.19 . . . . . . . 13 LYS HD2 . 7153 1 89 . 1 1 13 13 LYS HD3 H 1 3.19 . . . . . . . 13 LYS HD3 . 7153 1 90 . 1 1 13 13 LYS HE2 H 1 2.64 . . . . . . . 13 LYS HE2 . 7153 1 91 . 1 1 13 13 LYS HE3 H 1 2.64 . . . . . . . 13 LYS HE3 . 7153 1 92 . 1 1 13 13 LYS HZ1 H 1 7.24 . . . . . . . 13 LYS HZ . 7153 1 93 . 1 1 13 13 LYS HZ2 H 1 7.24 . . . . . . . 13 LYS HZ . 7153 1 94 . 1 1 13 13 LYS HZ3 H 1 7.24 . . . . . . . 13 LYS HZ . 7153 1 95 . 1 1 14 14 ASP H H 1 8.60 . . . . . . . 14 ASP H . 7153 1 96 . 1 1 14 14 ASP HA H 1 4.70 . . . . . . . 14 ASP HA . 7153 1 97 . 1 1 14 14 ASP HB2 H 1 2.92 . . . . . . . 14 ASP HB2 . 7153 1 98 . 1 1 14 14 ASP HB3 H 1 2.78 . . . . . . . 14 ASP HB3 . 7153 1 99 . 1 1 15 15 GLU H H 1 8.14 . . . . . . . 15 GLU H . 7153 1 100 . 1 1 15 15 GLU HA H 1 4.30 . . . . . . . 15 GLU HA . 7153 1 101 . 1 1 15 15 GLU HB2 H 1 2.17 . . . . . . . 15 GLU HB2 . 7153 1 102 . 1 1 15 15 GLU HB3 H 1 1.97 . . . . . . . 15 GLU HB3 . 7153 1 103 . 1 1 15 15 GLU HG2 H 1 2.44 . . . . . . . 15 GLU HG2 . 7153 1 104 . 1 1 15 15 GLU HG3 H 1 2.44 . . . . . . . 15 GLU HG3 . 7153 1 stop_ save_ ################################### # 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 7153 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . . 2 $sample_2 isotropic 7153 2 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 4.02 . . . . . . . 1 LYS HA . 7153 2 2 . 1 1 1 1 LYS HB2 H 1 1.95 . . . . . . . 1 LYS HB2 . 7153 2 3 . 1 1 1 1 LYS HG2 H 1 1.42 . . . . . . . 1 LYS HG2 . 7153 2 4 . 1 1 1 1 LYS HG3 H 1 1.42 . . . . . . . 1 LYS HG3 . 7153 2 5 . 1 1 2 2 ALA H H 1 8.71 . . . . . . . 2 ALA H . 7153 2 6 . 1 1 2 2 ALA HA H 1 4.49 . . . . . . . 2 ALA HA . 7153 2 7 . 1 1 2 2 ALA HB1 H 1 1.44 . . . . . . . 2 ALA HB . 7153 2 8 . 1 1 2 2 ALA HB2 H 1 1.44 . . . . . . . 2 ALA HB . 7153 2 9 . 1 1 2 2 ALA HB3 H 1 1.44 . . . . . . . 2 ALA HB . 7153 2 10 . 1 1 3 3 ILE H H 1 8.16 . . . . . . . 3 ILE H . 7153 2 11 . 1 1 3 3 ILE HA H 1 4.28 . . . . . . . 3 ILE HA . 7153 2 12 . 1 1 3 3 ILE HB H 1 1.88 . . . . . . . 3 ILE HB . 7153 2 13 . 1 1 3 3 ILE HG12 H 1 1.50 . . . . . . . 3 ILE HG12 . 7153 2 14 . 1 1 3 3 ILE HG13 H 1 1.21 . . . . . . . 3 ILE HG13 . 7153 2 15 . 1 1 3 3 ILE HG21 H 1 0.95 . . . . . . . 3 ILE HG2 . 7153 2 16 . 1 1 3 3 ILE HG22 H 1 0.95 . . . . . . . 3 ILE HG2 . 7153 2 17 . 1 1 3 3 ILE HG23 H 1 0.95 . . . . . . . 3 ILE HG2 . 7153 2 18 . 1 1 3 3 ILE HD11 H 1 0.90 . . . . . . . 3 ILE HD1 . 7153 2 19 . 1 1 3 3 ILE HD12 H 1 0.90 . . . . . . . 3 ILE HD1 . 7153 2 20 . 1 1 3 3 ILE HD13 H 1 0.90 . . . . . . . 3 ILE HD1 . 7153 2 21 . 1 1 4 4 GLY H H 1 8.32 . . . . . . . 4 GLY H . 7153 2 22 . 1 1 4 4 GLY HA2 H 1 3.99 . . . . . . . 4 GLY HA2 . 7153 2 23 . 1 1 5 5 ARG H H 1 8.25 . . . . . . . 5 ARG H . 7153 2 24 . 1 1 5 5 ARG HA H 1 4.49 . . . . . . . 5 ARG HA . 7153 2 25 . 1 1 5 5 ARG HB2 H 1 1.86 . . . . . . . 5 ARG HB2 . 7153 2 26 . 1 1 5 5 ARG HB3 H 1 1.75 . . . . . . . 5 ARG HB3 . 7153 2 27 . 1 1 5 5 ARG HG2 H 1 1.64 . . . . . . . 5 ARG HG2 . 7153 2 28 . 1 1 5 5 ARG HG3 H 1 1.64 . . . . . . . 5 ARG HG3 . 7153 2 29 . 1 1 5 5 ARG HD2 H 1 3.18 . . . . . . . 5 ARG HD2 . 7153 2 30 . 1 1 5 5 ARG HD3 H 1 3.18 . . . . . . . 5 ARG HD3 . 7153 2 31 . 1 1 5 5 ARG HH11 H 1 7.23 . . . . . . . 5 ARG NH1 . 7153 2 32 . 1 1 6 6 ASN H H 1 8.61 . . . . . . . 6 ASN H . 7153 2 33 . 1 1 6 6 ASN HA H 1 4.85 . . . . . . . 6 ASN HA . 7153 2 34 . 1 1 6 6 ASN HB2 H 1 2.93 . . . . . . . 6 ASN HB2 . 7153 2 35 . 1 1 6 6 ASN HB3 H 1 2.93 . . . . . . . 6 ASN HB3 . 7153 2 36 . 1 1 6 6 ASN HD21 H 1 7.61 . . . . . . . 6 ASN HD21 . 7153 2 37 . 1 1 6 6 ASN HD22 H 1 6.90 . . . . . . . 6 ASN HD22 . 7153 2 38 . 1 1 7 7 THR H H 1 8.20 . . . . . . . 7 THR H . 7153 2 39 . 1 1 7 7 THR HA H 1 4.32 . . . . . . . 7 THR HA . 7153 2 40 . 1 1 7 7 THR HB H 1 4.32 . . . . . . . 7 THR HB2 . 7153 2 41 . 1 1 7 7 THR HG21 H 1 1.22 . . . . . . . 7 THR HG . 7153 2 42 . 1 1 7 7 THR HG22 H 1 1.22 . . . . . . . 7 THR HG . 7153 2 43 . 1 1 7 7 THR HG23 H 1 1.22 . . . . . . . 7 THR HG . 7153 2 44 . 1 1 8 8 ASN H H 1 8.37 . . . . . . . 8 ASN H . 7153 2 45 . 1 1 8 8 ASN HA H 1 4.74 . . . . . . . 8 ASN HA . 7153 2 46 . 1 1 8 8 ASN HB2 H 1 2.87 . . . . . . . 8 ASN HB2 . 7153 2 47 . 1 1 8 8 ASN HB3 H 1 2.87 . . . . . . . 8 ASN HB3 . 7153 2 48 . 1 1 8 8 ASN HD21 H 1 7.58 . . . . . . . 8 ASN HD21 . 7153 2 49 . 1 1 8 8 ASN HD22 H 1 6.80 . . . . . . . 8 ASN HD22 . 7153 2 50 . 1 1 9 9 GLY H H 1 8.35 . . . . . . . 9 GLY H . 7153 2 51 . 1 1 9 9 GLY HA2 H 1 4.05 . . . . . . . 9 GLY HA2 . 7153 2 52 . 1 1 9 9 GLY HA3 H 1 3.86 . . . . . . . 9 GLY HA3 . 7153 2 53 . 1 1 10 10 VAL H H 1 7.86 . . . . . . . 10 VAL H . 7153 2 54 . 1 1 10 10 VAL HA H 1 4.08 . . . . . . . 10 VAL HA . 7153 2 55 . 1 1 10 10 VAL HB H 1 2.11 . . . . . . . 10 VAL HB . 7153 2 56 . 1 1 10 10 VAL HG11 H 1 0.95 . . . . . . . 10 VAL HG1 . 7153 2 57 . 1 1 10 10 VAL HG12 H 1 0.95 . . . . . . . 10 VAL HG1 . 7153 2 58 . 1 1 10 10 VAL HG13 H 1 0.95 . . . . . . . 10 VAL HG1 . 7153 2 59 . 1 1 11 11 ILE H H 1 8.14 . . . . . . . 11 ILE H . 7153 2 60 . 1 1 11 11 ILE HA H 1 4.27 . . . . . . . 11 ILE HA . 7153 2 61 . 1 1 11 11 ILE HB H 1 1.89 . . . . . . . 11 ILE HB . 7153 2 62 . 1 1 11 11 ILE HG12 H 1 1.57 . . . . . . . 11 ILE HG12 . 7153 2 63 . 1 1 11 11 ILE HG13 H 1 1.21 . . . . . . . 11 ILE HG13 . 7153 2 64 . 1 1 11 11 ILE HG21 H 1 0.95 . . . . . . . 11 ILE HG2 . 7153 2 65 . 1 1 11 11 ILE HG22 H 1 0.95 . . . . . . . 11 ILE HG2 . 7153 2 66 . 1 1 11 11 ILE HG23 H 1 0.95 . . . . . . . 11 ILE HG2 . 7153 2 67 . 1 1 11 11 ILE HD11 H 1 0.90 . . . . . . . 11 ILE HD1 . 7153 2 68 . 1 1 11 11 ILE HD12 H 1 0.90 . . . . . . . 11 ILE HD1 . 7153 2 69 . 1 1 11 11 ILE HD13 H 1 0.90 . . . . . . . 11 ILE HD1 . 7153 2 70 . 1 1 12 12 THR H H 1 8.09 . . . . . . . 12 THR H . 7153 2 71 . 1 1 12 12 THR HA H 1 4.45 . . . . . . . 12 THR HA . 7153 2 72 . 1 1 12 12 THR HB H 1 4.34 . . . . . . . 12 THR HB . 7153 2 73 . 1 1 12 12 THR HG21 H 1 1.23 . . . . . . . 12 THR HG2 . 7153 2 74 . 1 1 12 12 THR HG22 H 1 1.23 . . . . . . . 12 THR HG2 . 7153 2 75 . 1 1 12 12 THR HG23 H 1 1.23 . . . . . . . 12 THR HG2 . 7153 2 76 . 1 1 13 13 LYS H H 1 8.19 . . . . . . . 13 LYS H . 7153 2 77 . 1 1 13 13 LYS HA H 1 4.40 . . . . . . . 13 LYS HA . 7153 2 78 . 1 1 13 13 LYS HB2 H 1 1.89 . . . . . . . 13 LYS HB2 . 7153 2 79 . 1 1 13 13 LYS HB3 H 1 1.83 . . . . . . . 13 LYS HB3 . 7153 2 80 . 1 1 13 13 LYS HG2 H 1 1.45 . . . . . . . 13 LYS HG2 . 7153 2 81 . 1 1 13 13 LYS HG3 H 1 1.45 . . . . . . . 13 LYS HG3 . 7153 2 82 . 1 1 13 13 LYS HD2 H 1 3.02 . . . . . . . 13 LYS HD2 . 7153 2 83 . 1 1 13 13 LYS HD3 H 1 3.02 . . . . . . . 13 LYS HD3 . 7153 2 84 . 1 1 13 13 LYS HE2 H 1 1.73 . . . . . . . 13 LYS HE2 . 7153 2 85 . 1 1 13 13 LYS HE3 H 1 1.73 . . . . . . . 13 LYS HE3 . 7153 2 86 . 1 1 13 13 LYS HZ1 H 1 7.23 . . . . . . . 13 LYS HZ . 7153 2 87 . 1 1 13 13 LYS HZ2 H 1 7.23 . . . . . . . 13 LYS HZ . 7153 2 88 . 1 1 13 13 LYS HZ3 H 1 7.23 . . . . . . . 13 LYS HZ . 7153 2 89 . 1 1 14 14 ASP H H 1 8.44 . . . . . . . 14 ASP H . 7153 2 90 . 1 1 14 14 ASP HA H 1 4.77 . . . . . . . 14 ASP HA . 7153 2 91 . 1 1 14 14 ASP HB2 H 1 2.93 . . . . . . . 14 ASP HB2 . 7153 2 92 . 1 1 14 14 ASP HB3 H 1 2.83 . . . . . . . 14 ASP HB3 . 7153 2 93 . 1 1 15 15 GLU H H 1 8.00 . . . . . . . 15 GLU H . 7153 2 94 . 1 1 15 15 GLU HA H 1 4.38 . . . . . . . 15 GLU HA . 7153 2 95 . 1 1 15 15 GLU HB2 H 1 2.21 . . . . . . . 15 GLU HB2 . 7153 2 96 . 1 1 15 15 GLU HB3 H 1 2.02 . . . . . . . 15 GLU HB3 . 7153 2 97 . 1 1 15 15 GLU HG2 H 1 2.47 . . . . . . . 15 GLU HG2 . 7153 2 98 . 1 1 15 15 GLU HG3 H 1 2.47 . . . . . . . 15 GLU HG3 . 7153 2 stop_ save_