################################### # 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 7155 _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 $sample_1 isotropic 7155 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 3.97 . . . . . . . 124 LYS HA . 7155 1 2 . 1 1 1 1 LYS HB2 H 1 1.79 . . . . . . . 124 LYS HB2 . 7155 1 3 . 1 1 1 1 LYS HG2 H 1 1.26 . . . . . . . 124 LYS HG2 . 7155 1 4 . 1 1 1 1 LYS HG3 H 1 1.26 . . . . . . . 124 LYS HG3 . 7155 1 5 . 1 1 1 1 LYS HD2 H 1 1.58 . . . . . . . 124 LYS HD2 . 7155 1 6 . 1 1 1 1 LYS HD3 H 1 1.58 . . . . . . . 124 LYS HD3 . 7155 1 7 . 1 1 1 1 LYS HE2 H 1 2.82 . . . . . . . 124 LYS HE2 . 7155 1 8 . 1 1 1 1 LYS HE3 H 1 2.82 . . . . . . . 124 LYS HE3 . 7155 1 9 . 1 1 1 1 LYS HZ1 H 1 7.36 . . . . . . . 124 LYS HZ . 7155 1 10 . 1 1 1 1 LYS HZ2 H 1 7.36 . . . . . . . 124 LYS HZ . 7155 1 11 . 1 1 1 1 LYS HZ3 H 1 7.36 . . . . . . . 124 LYS HZ . 7155 1 12 . 1 1 2 2 ARG H H 1 8.78 . . . . . . . 125 ARG H . 7155 1 13 . 1 1 2 2 ARG HA H 1 4.32 . . . . . . . 125 ARG HA . 7155 1 14 . 1 1 2 2 ARG HB2 H 1 1.87 . . . . . . . 125 ARG HB2 . 7155 1 15 . 1 1 2 2 ARG HB3 H 1 1.76 . . . . . . . 125 ARG HB3 . 7155 1 16 . 1 1 2 2 ARG HG2 H 1 1.69 . . . . . . . 125 ARG HG2 . 7155 1 17 . 1 1 2 2 ARG HG3 H 1 1.46 . . . . . . . 125 ARG HG3 . 7155 1 18 . 1 1 2 2 ARG HD2 H 1 3.01 . . . . . . . 125 ARG HD2 . 7155 1 19 . 1 1 2 2 ARG HD3 H 1 3.01 . . . . . . . 125 ARG HD3 . 7155 1 20 . 1 1 2 2 ARG HH11 H 1 7.20 . . . . . . . 125 ARG HH1 . 7155 1 21 . 1 1 3 3 TRP H H 1 8.62 . . . . . . . 126 TRP H . 7155 1 22 . 1 1 3 3 TRP HA H 1 4.61 . . . . . . . 126 TRP HA . 7155 1 23 . 1 1 3 3 TRP HB2 H 1 3.30 . . . . . . . 126 TRP HB2 . 7155 1 24 . 1 1 3 3 TRP HB3 H 1 3.26 . . . . . . . 126 TRP HB3 . 7155 1 25 . 1 1 3 3 TRP HD1 H 1 7.26 . . . . . . . 126 TRP HD1 . 7155 1 26 . 1 1 3 3 TRP HE1 H 1 10.20 . . . . . . . 126 TRP HE1 . 7155 1 27 . 1 1 3 3 TRP HE3 H 1 7.47 . . . . . . . 126 TRP HE3 . 7155 1 28 . 1 1 3 3 TRP HZ2 H 1 7.62 . . . . . . . 126 TRP HZ2 . 7155 1 29 . 1 1 3 3 TRP HZ3 H 1 7.22 . . . . . . . 126 TRP HZ3 . 7155 1 30 . 1 1 3 3 TRP HH2 H 1 7.14 . . . . . . . 126 TRP HH2 . 7155 1 31 . 1 1 4 4 ASP H H 1 8.14 . . . . . . . 127 ASP H . 7155 1 32 . 1 1 4 4 ASP HA H 1 4.35 . . . . . . . 127 ASP HA . 7155 1 33 . 1 1 4 4 ASP HB2 H 1 2.55 . . . . . . . 127 ASP HB2 . 7155 1 34 . 1 1 4 4 ASP HB3 H 1 2.35 . . . . . . . 127 ASP HB3 . 7155 1 35 . 1 1 5 5 GLU H H 1 8.03 . . . . . . . 128 GLU H . 7155 1 36 . 1 1 5 5 GLU HA H 1 4.10 . . . . . . . 128 GLU HA . 7155 1 37 . 1 1 5 5 GLU HB2 H 1 2.03 . . . . . . . 128 GLU HB2 . 7155 1 38 . 1 1 5 5 GLU HB3 H 1 1.90 . . . . . . . 128 GLU HB3 . 7155 1 39 . 1 1 5 5 GLU HG2 H 1 2.34 . . . . . . . 128 GLU HG2 . 7155 1 40 . 1 1 6 6 ALA H H 1 8.29 . . . . . . . 129 ALA H . 7155 1 41 . 1 1 6 6 ALA HA H 1 4.21 . . . . . . . 129 ALA HA . 7155 1 42 . 1 1 6 6 ALA HB1 H 1 1.38 . . . . . . . 129 ALA HB . 7155 1 43 . 1 1 6 6 ALA HB2 H 1 1.38 . . . . . . . 129 ALA HB . 7155 1 44 . 1 1 6 6 ALA HB3 H 1 1.38 . . . . . . . 129 ALA HB . 7155 1 45 . 1 1 7 7 ALA H H 1 8.17 . . . . . . . 130 ALA H . 7155 1 46 . 1 1 7 7 ALA HA H 1 4.23 . . . . . . . 130 ALA HA . 7155 1 47 . 1 1 7 7 ALA HB1 H 1 1.37 . . . . . . . 130 ALA HB . 7155 1 48 . 1 1 7 7 ALA HB2 H 1 1.37 . . . . . . . 130 ALA HB . 7155 1 49 . 1 1 7 7 ALA HB3 H 1 1.37 . . . . . . . 130 ALA HB . 7155 1 50 . 1 1 8 8 VAL H H 1 8.09 . . . . . . . 131 VAL H . 7155 1 51 . 1 1 8 8 VAL HA H 1 3.99 . . . . . . . 131 VAL HA . 7155 1 52 . 1 1 8 8 VAL HB H 1 2.04 . . . . . . . 131 VAL HB . 7155 1 53 . 1 1 8 8 VAL HG11 H 1 0.93 . . . . . . . 131 VAL HG1 . 7155 1 54 . 1 1 8 8 VAL HG12 H 1 0.93 . . . . . . . 131 VAL HG1 . 7155 1 55 . 1 1 8 8 VAL HG13 H 1 0.93 . . . . . . . 131 VAL HG1 . 7155 1 56 . 1 1 8 8 VAL HG21 H 1 0.90 . . . . . . . 131 VAL HG2 . 7155 1 57 . 1 1 8 8 VAL HG22 H 1 0.90 . . . . . . . 131 VAL HG2 . 7155 1 58 . 1 1 8 8 VAL HG23 H 1 0.90 . . . . . . . 131 VAL HG2 . 7155 1 59 . 1 1 9 9 ASN H H 1 8.49 . . . . . . . 132 ASN H . 7155 1 60 . 1 1 9 9 ASN HA H 1 4.69 . . . . . . . 132 ASN HA . 7155 1 61 . 1 1 9 9 ASN HB2 H 1 2.84 . . . . . . . 132 ASN HB2 . 7155 1 62 . 1 1 9 9 ASN HB3 H 1 2.72 . . . . . . . 132 ASN HB3 . 7155 1 63 . 1 1 9 9 ASN HD21 H 1 7.66 . . . . . . . 132 ASN HD21 . 7155 1 64 . 1 1 9 9 ASN HD22 H 1 6.97 . . . . . . . 132 ASN HD22 . 7155 1 65 . 1 1 10 10 LEU H H 1 8.32 . . . . . . . 133 LEU H . 7155 1 66 . 1 1 10 10 LEU HA H 1 4.26 . . . . . . . 133 LEU HA . 7155 1 67 . 1 1 10 10 LEU HB2 H 1 1.62 . . . . . . . 133 LEU HB2 . 7155 1 68 . 1 1 10 10 LEU HB3 H 1 1.62 . . . . . . . 133 LEU HB3 . 7155 1 69 . 1 1 10 10 LEU HG H 1 1.62 . . . . . . . 133 LEU HG . 7155 1 70 . 1 1 10 10 LEU HD11 H 1 0.91 . . . . . . . 133 LEU HD1 . 7155 1 71 . 1 1 10 10 LEU HD12 H 1 0.91 . . . . . . . 133 LEU HD1 . 7155 1 72 . 1 1 10 10 LEU HD13 H 1 0.91 . . . . . . . 133 LEU HD1 . 7155 1 73 . 1 1 10 10 LEU HD21 H 1 0.85 . . . . . . . 133 LEU HD2 . 7155 1 74 . 1 1 10 10 LEU HD22 H 1 0.85 . . . . . . . 133 LEU HD2 . 7155 1 75 . 1 1 10 10 LEU HD23 H 1 0.85 . . . . . . . 133 LEU HD2 . 7155 1 76 . 1 1 11 11 ALA H H 1 8.20 . . . . . . . 134 ALA H . 7155 1 77 . 1 1 11 11 ALA HA H 1 4.27 . . . . . . . 134 ALA HA . 7155 1 78 . 1 1 11 11 ALA HB1 H 1 1.39 . . . . . . . 134 ALA HB . 7155 1 79 . 1 1 11 11 ALA HB2 H 1 1.39 . . . . . . . 134 ALA HB . 7155 1 80 . 1 1 11 11 ALA HB3 H 1 1.39 . . . . . . . 134 ALA HB . 7155 1 81 . 1 1 12 12 LYS H H 1 8.20 . . . . . . . 135 LYS H . 7155 1 82 . 1 1 12 12 LYS HA H 1 4.36 . . . . . . . 135 LYS HA . 7155 1 83 . 1 1 12 12 LYS HB2 H 1 1.86 . . . . . . . 135 LYS HB2 . 7155 1 84 . 1 1 12 12 LYS HG2 H 1 1.47 . . . . . . . 135 LYS HG2 . 7155 1 85 . 1 1 12 12 LYS HG3 H 1 1.47 . . . . . . . 135 LYS HG3 . 7155 1 86 . 1 1 12 12 LYS HD2 H 1 1.74 . . . . . . . 135 LYS HD2 . 7155 1 87 . 1 1 12 12 LYS HD3 H 1 1.74 . . . . . . . 135 LYS HD3 . 7155 1 88 . 1 1 12 12 LYS HE2 H 1 3.14 . . . . . . . 135 LYS HE2 . 7155 1 89 . 1 1 12 12 LYS HE3 H 1 3.14 . . . . . . . 135 LYS HE3 . 7155 1 90 . 1 1 12 12 LYS HZ1 H 1 7.37 . . . . . . . 135 LYS HZ . 7155 1 91 . 1 1 12 12 LYS HZ2 H 1 7.37 . . . . . . . 135 LYS HZ . 7155 1 92 . 1 1 12 12 LYS HZ3 H 1 7.37 . . . . . . . 135 LYS HZ . 7155 1 93 . 1 1 13 13 SER H H 1 8.36 . . . . . . . 136 SER H . 7155 1 94 . 1 1 13 13 SER HA H 1 4.43 . . . . . . . 136 SER HA . 7155 1 95 . 1 1 13 13 SER HB2 H 1 3.87 . . . . . . . 136 SER HB2 . 7155 1 96 . 1 1 14 14 ARG H H 1 8.12 . . . . . . . 137 ARG H . 7155 1 97 . 1 1 14 14 ARG HA H 1 4.21 . . . . . . . 137 ARG HA . 7155 1 98 . 1 1 14 14 ARG HB2 H 1 1.87 . . . . . . . 137 ARG HB2 . 7155 1 99 . 1 1 14 14 ARG HB3 H 1 1.72 . . . . . . . 137 ARG HB3 . 7155 1 100 . 1 1 14 14 ARG HG2 H 1 1.75 . . . . . . . 137 ARG HG2 . 7155 1 101 . 1 1 14 14 ARG HG3 H 1 1.60 . . . . . . . 137 ARG HG3 . 7155 1 102 . 1 1 14 14 ARG HD2 H 1 3.18 . . . . . . . 137 ARG HD2 . 7155 1 103 . 1 1 14 14 ARG HD3 H 1 3.18 . . . . . . . 137 ARG HD3 . 7155 1 104 . 1 1 14 14 ARG HH11 H 1 7.20 . . . . . . . 137 ARG NH1 . 7155 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 7155 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _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 7155 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 . . . . . . . 124 LYS HA . 7155 2 2 . 1 1 1 1 LYS HB2 H 1 1.95 . . . . . . . 124 LYS HB2 . 7155 2 3 . 1 1 1 1 LYS HB3 H 1 1.89 . . . . . . . 124 LYS HB3 . 7155 2 4 . 1 1 1 1 LYS HG2 H 1 1.51 . . . . . . . 124 LYS HG2 . 7155 2 5 . 1 1 1 1 LYS HG3 H 1 1.51 . . . . . . . 124 LYS HG3 . 7155 2 6 . 1 1 1 1 LYS HD2 H 1 1.70 . . . . . . . 124 LYS HD2 . 7155 2 7 . 1 1 1 1 LYS HD3 H 1 1.70 . . . . . . . 124 LYS HD3 . 7155 2 8 . 1 1 1 1 LYS HE2 H 1 2.98 . . . . . . . 124 LYS HE2 . 7155 2 9 . 1 1 1 1 LYS HE3 H 1 2.98 . . . . . . . 124 LYS HE3 . 7155 2 10 . 1 1 1 1 LYS HZ1 H 1 7.47 . . . . . . . 124 LYS HZ . 7155 2 11 . 1 1 1 1 LYS HZ2 H 1 7.47 . . . . . . . 124 LYS HZ . 7155 2 12 . 1 1 1 1 LYS HZ3 H 1 7.47 . . . . . . . 124 LYS HZ . 7155 2 13 . 1 1 2 2 ARG H H 1 8.58 . . . . . . . 125 ARG H . 7155 2 14 . 1 1 2 2 ARG HA H 1 4.16 . . . . . . . 125 ARG HA . 7155 2 15 . 1 1 2 2 ARG HB2 H 1 1.97 . . . . . . . 125 ARG HB2 . 7155 2 16 . 1 1 2 2 ARG HB3 H 1 1.78 . . . . . . . 125 ARG HB3 . 7155 2 17 . 1 1 2 2 ARG HG2 H 1 1.55 . . . . . . . 125 ARG HG2 . 7155 2 18 . 1 1 2 2 ARG HG3 H 1 1.42 . . . . . . . 125 ARG HG3 . 7155 2 19 . 1 1 2 2 ARG HD2 H 1 3.06 . . . . . . . 125 ARG HD2 . 7155 2 20 . 1 1 2 2 ARG HD3 H 1 3.06 . . . . . . . 125 ARG HD3 . 7155 2 21 . 1 1 2 2 ARG HH11 H 1 6.98 . . . . . . . 125 ARG NH1 . 7155 2 22 . 1 1 3 3 TRP H H 1 7.91 . . . . . . . 126 TRP H . 7155 2 23 . 1 1 3 3 TRP HA H 1 4.52 . . . . . . . 126 TRP HA . 7155 2 24 . 1 1 3 3 TRP HB2 H 1 3.35 . . . . . . . 126 TRP HB2 . 7155 2 25 . 1 1 3 3 TRP HD1 H 1 7.07 . . . . . . . 126 TRP HD1 . 7155 2 26 . 1 1 3 3 TRP HE1 H 1 10.08 . . . . . . . 126 TRP HE1 . 7155 2 27 . 1 1 3 3 TRP HE3 H 1 7.41 . . . . . . . 126 TRP HE3 . 7155 2 28 . 1 1 3 3 TRP HZ2 H 1 7.46 . . . . . . . 126 TRP HZ2 . 7155 2 29 . 1 1 3 3 TRP HZ3 H 1 7.07 . . . . . . . 126 TRP HZ3 . 7155 2 30 . 1 1 3 3 TRP HH2 H 1 6.95 . . . . . . . 126 TRP HH2 . 7155 2 31 . 1 1 4 4 ASP H H 1 7.43 . . . . . . . 127 ASP H . 7155 2 32 . 1 1 4 4 ASP HA H 1 4.25 . . . . . . . 127 ASP HA . 7155 2 33 . 1 1 4 4 ASP HB2 H 1 2.57 . . . . . . . 127 ASP HB2 . 7155 2 34 . 1 1 4 4 ASP HB3 H 1 2.54 . . . . . . . 127 ASP HB3 . 7155 2 35 . 1 1 5 5 GLU H H 1 7.78 . . . . . . . 128 GLU H . 7155 2 36 . 1 1 5 5 GLU HA H 1 4.05 . . . . . . . 128 GLU HA . 7155 2 37 . 1 1 5 5 GLU HB2 H 1 2.08 . . . . . . . 128 GLU HB2 . 7155 2 38 . 1 1 5 5 GLU HG2 H 1 2.43 . . . . . . . 128 GLU HG2 . 7155 2 39 . 1 1 6 6 ALA H H 1 8.03 . . . . . . . 129 ALA H . 7155 2 40 . 1 1 6 6 ALA HA H 1 4.23 . . . . . . . 129 ALA HA . 7155 2 41 . 1 1 6 6 ALA HB1 H 1 1.53 . . . . . . . 129 ALA HB . 7155 2 42 . 1 1 6 6 ALA HB2 H 1 1.53 . . . . . . . 129 ALA HB . 7155 2 43 . 1 1 6 6 ALA HB3 H 1 1.53 . . . . . . . 129 ALA HB . 7155 2 44 . 1 1 7 7 ALA H H 1 8.05 . . . . . . . 130 ALA H . 7155 2 45 . 1 1 7 7 ALA HA H 1 4.09 . . . . . . . 130 ALA HA . 7155 2 46 . 1 1 7 7 ALA HB1 H 1 1.51 . . . . . . . 130 ALA HB . 7155 2 47 . 1 1 7 7 ALA HB2 H 1 1.51 . . . . . . . 130 ALA HB . 7155 2 48 . 1 1 7 7 ALA HB3 H 1 1.51 . . . . . . . 130 ALA HB . 7155 2 49 . 1 1 8 8 VAL H H 1 7.79 . . . . . . . 131 VAL H . 7155 2 50 . 1 1 8 8 VAL HA H 1 3.67 . . . . . . . 131 VAL HA . 7155 2 51 . 1 1 8 8 VAL HB H 1 2.12 . . . . . . . 131 VAL HB . 7155 2 52 . 1 1 8 8 VAL HG11 H 1 1.04 . . . . . . . 131 VAL HG1 . 7155 2 53 . 1 1 8 8 VAL HG12 H 1 1.04 . . . . . . . 131 VAL HG1 . 7155 2 54 . 1 1 8 8 VAL HG13 H 1 1.04 . . . . . . . 131 VAL HG1 . 7155 2 55 . 1 1 8 8 VAL HG21 H 1 0.95 . . . . . . . 131 VAL HG2 . 7155 2 56 . 1 1 8 8 VAL HG22 H 1 0.95 . . . . . . . 131 VAL HG2 . 7155 2 57 . 1 1 8 8 VAL HG23 H 1 0.95 . . . . . . . 131 VAL HG2 . 7155 2 58 . 1 1 9 9 ASN H H 1 8.07 . . . . . . . 132 ASN H . 7155 2 59 . 1 1 9 9 ASN HA H 1 4.48 . . . . . . . 132 ASN HA . 7155 2 60 . 1 1 9 9 ASN HB2 H 1 2.85 . . . . . . . 132 ASN HB2 . 7155 2 61 . 1 1 9 9 ASN HB3 H 1 2.82 . . . . . . . 132 ASN HB3 . 7155 2 62 . 1 1 9 9 ASN HD21 H 1 7.58 . . . . . . . 132 ASN HD21 . 7155 2 63 . 1 1 9 9 ASN HD22 H 1 6.86 . . . . . . . 132 ASN HD22 . 7155 2 64 . 1 1 10 10 LEU H H 1 8.16 . . . . . . . 133 LEU H . 7155 2 65 . 1 1 10 10 LEU HA H 1 4.17 . . . . . . . 133 LEU HA . 7155 2 66 . 1 1 10 10 LEU HB2 H 1 1.84 . . . . . . . 133 LEU HB2 . 7155 2 67 . 1 1 10 10 LEU HB3 H 1 1.84 . . . . . . . 133 LEU HB3 . 7155 2 68 . 1 1 10 10 LEU HG H 1 1.73 . . . . . . . 133 LEU HG . 7155 2 69 . 1 1 10 10 LEU HD11 H 1 0.94 . . . . . . . 133 LEU HD1 . 7155 2 70 . 1 1 10 10 LEU HD12 H 1 0.94 . . . . . . . 133 LEU HD1 . 7155 2 71 . 1 1 10 10 LEU HD13 H 1 0.94 . . . . . . . 133 LEU HD1 . 7155 2 72 . 1 1 10 10 LEU HD21 H 1 0.92 . . . . . . . 133 LEU HD2 . 7155 2 73 . 1 1 10 10 LEU HD22 H 1 0.92 . . . . . . . 133 LEU HD2 . 7155 2 74 . 1 1 10 10 LEU HD23 H 1 0.92 . . . . . . . 133 LEU HD2 . 7155 2 75 . 1 1 11 11 ALA H H 1 8.16 . . . . . . . 134 ALA H . 7155 2 76 . 1 1 11 11 ALA HA H 1 4.07 . . . . . . . 134 ALA HA . 7155 2 77 . 1 1 11 11 ALA HB1 H 1 1.51 . . . . . . . 134 ALA HB . 7155 2 78 . 1 1 11 11 ALA HB2 H 1 1.51 . . . . . . . 134 ALA HB . 7155 2 79 . 1 1 11 11 ALA HB3 H 1 1.51 . . . . . . . 134 ALA HB . 7155 2 80 . 1 1 12 12 LYS H H 1 8.06 . . . . . . . 135 LYS H . 7155 2 81 . 1 1 12 12 LYS HA H 1 4.21 . . . . . . . 135 LYS HA . 7155 2 82 . 1 1 12 12 LYS HB2 H 1 1.95 . . . . . . . 135 LYS HB2 . 7155 2 83 . 1 1 12 12 LYS HB3 H 1 1.89 . . . . . . . 135 LYS HB3 . 7155 2 84 . 1 1 12 12 LYS HG2 H 1 1.51 . . . . . . . 135 LYS HG2 . 7155 2 85 . 1 1 12 12 LYS HG3 H 1 1.51 . . . . . . . 135 LYS HG3 . 7155 2 86 . 1 1 12 12 LYS HD2 H 1 1.70 . . . . . . . 135 LYS HD2 . 7155 2 87 . 1 1 12 12 LYS HD3 H 1 1.70 . . . . . . . 135 LYS HD3 . 7155 2 88 . 1 1 12 12 LYS HE2 H 1 2.98 . . . . . . . 135 LYS HE2 . 7155 2 89 . 1 1 12 12 LYS HE3 H 1 2.98 . . . . . . . 135 LYS HE3 . 7155 2 90 . 1 1 12 12 LYS HZ1 H 1 7.47 . . . . . . . 135 LYS HZ . 7155 2 91 . 1 1 12 12 LYS HZ2 H 1 7.47 . . . . . . . 135 LYS HZ . 7155 2 92 . 1 1 12 12 LYS HZ3 H 1 7.47 . . . . . . . 135 LYS HZ . 7155 2 93 . 1 1 13 13 SER H H 1 7.82 . . . . . . . 136 SER H . 7155 2 94 . 1 1 13 13 SER HA H 1 4.48 . . . . . . . 136 SER HA . 7155 2 95 . 1 1 13 13 SER HB2 H 1 3.99 . . . . . . . 136 SER HB2 . 7155 2 96 . 1 1 13 13 SER HB3 H 1 3.99 . . . . . . . 136 SER HB3 . 7155 2 97 . 1 1 14 14 ARG H H 1 7.61 . . . . . . . 137 ARG H . 7155 2 98 . 1 1 14 14 ARG HA H 1 4.30 . . . . . . . 137 ARG HA . 7155 2 99 . 1 1 14 14 ARG HB2 H 1 2.00 . . . . . . . 137 ARG HB2 . 7155 2 100 . 1 1 14 14 ARG HB3 H 1 1.89 . . . . . . . 137 ARG HB3 . 7155 2 101 . 1 1 14 14 ARG HG2 H 1 1.76 . . . . . . . 137 ARG HG2 . 7155 2 102 . 1 1 14 14 ARG HG3 H 1 1.71 . . . . . . . 137 ARG HG3 . 7155 2 103 . 1 1 14 14 ARG HD2 H 1 3.21 . . . . . . . 137 ARG HD2 . 7155 2 104 . 1 1 14 14 ARG HD3 H 1 3.21 . . . . . . . 137 ARG HD3 . 7155 2 105 . 1 1 14 14 ARG HH11 H 1 7.20 . . . . . . . 137 ARG NH1 . 7155 2 stop_ save_