################################### # 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 51177 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 $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-15N HSQC' . . . 51177 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51177 1 2 $software_2 . . 51177 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 . 2 . 2 10 10 SER H H 1 8.3080 0.0000 . 1 . . . . . 6 SER H . 51177 1 2 . 2 . 2 10 10 SER N N 15 117.9030 0.0000 . 1 . . . . . 6 SER N . 51177 1 3 . 2 . 2 21 21 ALA H H 1 8.3040 0.0000 . 1 . . . . . 17 ALA H . 51177 1 4 . 2 . 2 21 21 ALA N N 15 125.8240 0.0000 . 1 . . . . . 17 ALA N . 51177 1 5 . 2 . 2 22 22 VAL H H 1 8.1610 0.0000 . 1 . . . . . 18 VAL H . 51177 1 6 . 2 . 2 22 22 VAL N N 15 120.1830 0.0000 . 1 . . . . . 18 VAL N . 51177 1 7 . 2 . 2 23 23 THR H H 1 8.2140 0.0000 . 1 . . . . . 19 THR H . 51177 1 8 . 2 . 2 23 23 THR N N 15 118.6540 0.0000 . 1 . . . . . 19 THR N . 51177 1 9 . 2 . 2 25 25 ALA H H 1 8.2960 0.0000 . 1 . . . . . 21 ALA H . 51177 1 10 . 2 . 2 25 25 ALA N N 15 125.0780 0.0000 . 1 . . . . . 21 ALA N . 51177 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_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 51177 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 2 _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-15N HSQC' . . . 51177 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51177 2 2 $software_2 . . 51177 2 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 . 2 . 2 3 3 GLY H H 1 8.5920 0.0000 . 1 . . . . . -1 GLY H . 51177 2 2 . 2 . 2 3 3 GLY N N 15 110.4110 0.0000 . 1 . . . . . -1 GLY N . 51177 2 3 . 2 . 2 4 4 MET H H 1 8.1080 0.0000 . 1 . . . . . 0 MET H . 51177 2 4 . 2 . 2 4 4 MET N N 15 121.4160 0.0000 . 1 . . . . . 0 MET N . 51177 2 5 . 2 . 2 6 6 GLU H H 1 8.4410 0.0000 . 1 . . . . . 2 GLU H . 51177 2 6 . 2 . 2 6 6 GLU N N 15 122.9090 0.0000 . 1 . . . . . 2 GLU N . 51177 2 7 . 2 . 2 8 8 ALA H H 1 8.3750 0.0000 . 1 . . . . . 4 ALA H . 51177 2 8 . 2 . 2 8 8 ALA N N 15 124.4180 0.0000 . 1 . . . . . 4 ALA N . 51177 2 9 . 2 . 2 9 9 LYS H H 1 8.2860 0.0000 . 1 . . . . . 5 LYS H . 51177 2 10 . 2 . 2 9 9 LYS N N 15 121.2050 0.0000 . 1 . . . . . 5 LYS N . 51177 2 11 . 2 . 2 10 10 SER H H 1 8.2750 0.0000 . 1 . . . . . 6 SER H . 51177 2 12 . 2 . 2 10 10 SER N N 15 117.7080 0.0000 . 1 . . . . . 6 SER N . 51177 2 13 . 2 . 2 11 11 ALA H H 1 8.2930 0.0000 . 1 . . . . . 7 ALA H . 51177 2 14 . 2 . 2 11 11 ALA N N 15 127.4090 0.0000 . 1 . . . . . 7 ALA N . 51177 2 15 . 2 . 2 13 13 ALA H H 1 8.4010 0.0000 . 1 . . . . . 9 ALA H . 51177 2 16 . 2 . 2 13 13 ALA N N 15 126.1650 0.0000 . 1 . . . . . 9 ALA N . 51177 2 17 . 2 . 2 15 15 LYS H H 1 8.4420 0.0000 . 1 . . . . . 11 LYS H . 51177 2 18 . 2 . 2 15 15 LYS N N 15 122.5810 0.0000 . 1 . . . . . 11 LYS N . 51177 2 19 . 2 . 2 16 16 LYS H H 1 8.4800 0.0000 . 1 . . . . . 12 LYS H . 51177 2 20 . 2 . 2 16 16 LYS N N 15 123.7320 0.0000 . 1 . . . . . 12 LYS N . 51177 2 21 . 2 . 2 17 17 GLY H H 1 8.5350 0.0000 . 1 . . . . . 13 GLY H . 51177 2 22 . 2 . 2 17 17 GLY N N 15 111.1040 0.0000 . 1 . . . . . 13 GLY N . 51177 2 23 . 2 . 2 18 18 SER H H 1 8.2050 0.0000 . 1 . . . . . 14 SER H . 51177 2 24 . 2 . 2 18 18 SER N N 15 116.1330 0.0000 . 1 . . . . . 14 SER N . 51177 2 25 . 2 . 2 19 19 LYS H H 1 8.5120 0.0000 . 1 . . . . . 15 LYS H . 51177 2 26 . 2 . 2 19 19 LYS N N 15 123.9980 0.0000 . 1 . . . . . 15 LYS N . 51177 2 27 . 2 . 2 20 20 LYS H H 1 8.3220 0.0000 . 1 . . . . . 16 LYS H . 51177 2 28 . 2 . 2 20 20 LYS N N 15 122.8730 0.0000 . 1 . . . . . 16 LYS N . 51177 2 29 . 2 . 2 21 21 ALA H H 1 8.2930 0.0000 . 1 . . . . . 17 ALA H . 51177 2 30 . 2 . 2 21 21 ALA N N 15 125.7120 0.0000 . 1 . . . . . 17 ALA N . 51177 2 31 . 2 . 2 22 22 VAL H H 1 8.1540 0.0000 . 1 . . . . . 18 VAL H . 51177 2 32 . 2 . 2 22 22 VAL N N 15 120.1150 0.0000 . 1 . . . . . 18 VAL N . 51177 2 33 . 2 . 2 23 23 THR H H 1 8.2030 0.0000 . 1 . . . . . 19 THR H . 51177 2 34 . 2 . 2 23 23 THR N N 15 118.5190 0.0000 . 1 . . . . . 19 THR N . 51177 2 35 . 2 . 2 24 24 LYS H H 1 8.3920 0.0000 . 1 . . . . . 20 LYS H . 51177 2 36 . 2 . 2 24 24 LYS N N 15 124.6600 0.0000 . 1 . . . . . 20 LYS N . 51177 2 37 . 2 . 2 25 25 ALA H H 1 8.2780 0.0000 . 1 . . . . . 21 ALA H . 51177 2 38 . 2 . 2 25 25 ALA N N 15 124.9270 0.0000 . 1 . . . . . 21 ALA N . 51177 2 39 . 2 . 2 26 26 GLN H H 1 8.2720 0.0000 . 1 . . . . . 22 GLN H . 51177 2 40 . 2 . 2 26 26 GLN N N 15 119.9540 0.0000 . 1 . . . . . 22 GLN N . 51177 2 41 . 2 . 2 27 27 LYS H H 1 8.3410 0.0000 . 1 . . . . . 23 LYS H . 51177 2 42 . 2 . 2 27 27 LYS N N 15 123.2990 0.0000 . 1 . . . . . 23 LYS N . 51177 2 43 . 2 . 2 28 28 LYS H H 1 8.4590 0.0000 . 1 . . . . . 24 LYS H . 51177 2 44 . 2 . 2 28 28 LYS N N 15 123.2480 0.0000 . 1 . . . . . 24 LYS N . 51177 2 45 . 2 . 2 29 29 ASP H H 1 8.2980 0.0000 . 1 . . . . . 25 ASP H . 51177 2 46 . 2 . 2 29 29 ASP N N 15 121.3110 0.0000 . 1 . . . . . 25 ASP N . 51177 2 47 . 2 . 2 30 30 GLY H H 1 8.2390 0.0000 . 1 . . . . . 26 GLY H . 51177 2 48 . 2 . 2 30 30 GLY N N 15 109.3610 0.0000 . 1 . . . . . 26 GLY N . 51177 2 49 . 2 . 2 31 31 LYS H H 1 8.1370 0.0000 . 1 . . . . . 27 LYS H . 51177 2 50 . 2 . 2 31 31 LYS N N 15 121.5050 0.0000 . 1 . . . . . 27 LYS N . 51177 2 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_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 51177 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 3 _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-15N HSQC' . . . 51177 3 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51177 3 2 $software_2 . . 51177 3 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 7 7 ARG H H 1 8.2050 0.0000 . 1 . . . . . 3 ARG H . 51177 3 2 . 1 . 1 7 7 ARG N N 15 120.7630 0.0000 . 1 . . . . . 3 ARG N . 51177 3 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_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 51177 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name 4 _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-15N HSQC' . . . 51177 4 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51177 4 2 $software_2 . . 51177 4 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 3 3 GLY H H 1 8.6280 0.0000 . 1 . . . . . -1 GLY H . 51177 4 2 . 1 . 1 3 3 GLY N N 15 110.1480 0.0000 . 1 . . . . . -1 GLY N . 51177 4 3 . 1 . 1 4 4 MET H H 1 8.2980 0.0000 . 1 . . . . . 0 MET H . 51177 4 4 . 1 . 1 4 4 MET N N 15 120.4360 0.0000 . 1 . . . . . 0 MET N . 51177 4 5 . 1 . 1 5 5 SER H H 1 8.4000 0.0000 . 1 . . . . . 1 SER H . 51177 4 6 . 1 . 1 5 5 SER N N 15 117.3620 0.0000 . 1 . . . . . 1 SER N . 51177 4 7 . 1 . 1 6 6 GLY H H 1 8.4670 0.0000 . 1 . . . . . 2 GLY H . 51177 4 8 . 1 . 1 6 6 GLY N N 15 111.2220 0.0000 . 1 . . . . . 2 GLY N . 51177 4 9 . 1 . 1 7 7 ARG H H 1 8.1810 0.0000 . 1 . . . . . 3 ARG H . 51177 4 10 . 1 . 1 7 7 ARG N N 15 120.7030 0.0000 . 1 . . . . . 3 ARG N . 51177 4 11 . 1 . 1 8 8 GLY H H 1 8.4960 0.0000 . 1 . . . . . 4 GLY H . 51177 4 12 . 1 . 1 8 8 GLY N N 15 110.1940 0.0000 . 1 . . . . . 4 GLY N . 51177 4 13 . 1 . 1 9 9 LYS H H 1 8.2670 0.0000 . 1 . . . . . 5 LYS H . 51177 4 14 . 1 . 1 9 9 LYS N N 15 121.4000 0.0000 . 1 . . . . . 5 LYS N . 51177 4 15 . 1 . 1 10 10 GLN H H 1 8.5520 0.0000 . 1 . . . . . 6 GLN H . 51177 4 16 . 1 . 1 10 10 GLN N N 15 121.8510 0.0000 . 1 . . . . . 6 GLN N . 51177 4 17 . 1 . 1 11 11 GLY H H 1 8.4250 0.0000 . 1 . . . . . 7 GLY H . 51177 4 18 . 1 . 1 11 11 GLY N N 15 110.4500 0.0000 . 1 . . . . . 7 GLY N . 51177 4 19 . 1 . 1 12 12 GLY H H 1 8.3010 0.0000 . 1 . . . . . 8 GLY H . 51177 4 20 . 1 . 1 12 12 GLY N N 15 109.3050 0.0000 . 1 . . . . . 8 GLY N . 51177 4 21 . 1 . 1 124 124 THR H H 1 8.2220 0.0000 . 1 . . . . . 120 THR H . 51177 4 22 . 1 . 1 124 124 THR N N 15 116.2550 0.0000 . 1 . . . . . 120 THR N . 51177 4 23 . 1 . 1 125 125 GLU H H 1 8.5030 0.0000 . 1 . . . . . 121 GLU H . 51177 4 24 . 1 . 1 125 125 GLU N N 15 123.7350 0.0000 . 1 . . . . . 121 GLU N . 51177 4 25 . 1 . 1 126 126 SER H H 1 8.3550 0.0000 . 1 . . . . . 122 SER H . 51177 4 26 . 1 . 1 126 126 SER N N 15 117.5240 0.0000 . 1 . . . . . 122 SER N . 51177 4 27 . 1 . 1 127 127 HIS H H 1 8.5800 0.0000 . 1 . . . . . 123 HIS H . 51177 4 28 . 1 . 1 127 127 HIS N N 15 120.9190 0.0000 . 1 . . . . . 123 HIS N . 51177 4 29 . 1 . 1 128 128 HIS H H 1 8.4600 0.0000 . 1 . . . . . 124 HIS H . 51177 4 30 . 1 . 1 128 128 HIS N N 15 119.9330 0.0000 . 1 . . . . . 124 HIS N . 51177 4 31 . 1 . 1 129 129 LYS H H 1 8.4140 0.0000 . 1 . . . . . 125 LYS H . 51177 4 32 . 1 . 1 129 129 LYS N N 15 123.7780 0.0000 . 1 . . . . . 125 LYS N . 51177 4 33 . 1 . 1 130 130 ALA H H 1 8.3840 0.0000 . 1 . . . . . 126 ALA H . 51177 4 34 . 1 . 1 130 130 ALA N N 15 126.2810 0.0000 . 1 . . . . . 126 ALA N . 51177 4 35 . 1 . 1 131 131 LYS H H 1 8.3850 0.0000 . 1 . . . . . 127 LYS H . 51177 4 36 . 1 . 1 131 131 LYS N N 15 121.5760 0.0000 . 1 . . . . . 127 LYS N . 51177 4 37 . 1 . 1 132 132 GLY H H 1 8.4190 0.0000 . 1 . . . . . 128 GLY H . 51177 4 38 . 1 . 1 132 132 GLY N N 15 111.1480 0.0000 . 1 . . . . . 128 GLY N . 51177 4 39 . 1 . 1 133 133 LYS H H 1 7.7930 0.0000 . 1 . . . . . 129 LYS H . 51177 4 40 . 1 . 1 133 133 LYS N N 15 126.2240 0.0000 . 1 . . . . . 129 LYS N . 51177 4 stop_ save_