data_7065
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7065
_Entry.Title
;
Solution conformation of gaegurin4
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2006-04-10
_Entry.Accession_date 2006-04-12
_Entry.Last_release_date 2006-04-12
_Entry.Original_release_date 2006-04-12
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.0.16
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 S.-W. Chi . . . . 7065
2 K.-H. Han . . . . 7065
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 7065
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 273 7065
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2007-09-24 . original BMRB . 7065
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2G9L 'BMRB Entry Tracking System' 7065
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 7065
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 17141187
_Citation.Full_citation .
_Citation.Title
;
Solution structure and membrane interaction mode of an antimicrobial peptide gaegurin 4
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.'
_Citation.Journal_name_full .
_Citation.Journal_volume 352
_Citation.Journal_issue 3
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 592
_Citation.Page_last 597
_Citation.Year 2007
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 S.-W. Chi . . . . 7065 1
2 J.-S. Kim . . . . 7065 1
3 D.-H. Kim . . . . 7065 1
4 S.-H. Lee . . . . 7065 1
5 Y.-H. Park . . . . 7065 1
6 K.-H. Han . . . . 7065 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'amphipathic helix' 7065 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_ggn4
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_ggn4
_Assembly.Entry_ID 7065
_Assembly.ID 1
_Assembly.Name Gaegurin-4
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all disulfide bound'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 7065 1
stop_
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 Gaegurin-4 1 $ggn4 . . . native . . . . . 7065 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_asym_ID_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_asym_ID_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . . . 7065 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 2G9L . . . . . . 7065 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
Gaegurin-4 system 7065 1
ggn4 abbreviation 7065 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_ggn4
_Entity.Sf_category entity
_Entity.Sf_framecode ggn4
_Entity.Entry_ID 7065
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'gaegurin 4'
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GILDTLKQFAKGVGKDLVKG
AAQGVLSTVSCKLAKTC
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 37
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'gaegurin 4' common 7065 1
ggn4 abbreviation 7065 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 7065 1
2 . ILE . 7065 1
3 . LEU . 7065 1
4 . ASP . 7065 1
5 . THR . 7065 1
6 . LEU . 7065 1
7 . LYS . 7065 1
8 . GLN . 7065 1
9 . PHE . 7065 1
10 . ALA . 7065 1
11 . LYS . 7065 1
12 . GLY . 7065 1
13 . VAL . 7065 1
14 . GLY . 7065 1
15 . LYS . 7065 1
16 . ASP . 7065 1
17 . LEU . 7065 1
18 . VAL . 7065 1
19 . LYS . 7065 1
20 . GLY . 7065 1
21 . ALA . 7065 1
22 . ALA . 7065 1
23 . GLN . 7065 1
24 . GLY . 7065 1
25 . VAL . 7065 1
26 . LEU . 7065 1
27 . SER . 7065 1
28 . THR . 7065 1
29 . VAL . 7065 1
30 . SER . 7065 1
31 . CYS . 7065 1
32 . LYS . 7065 1
33 . LEU . 7065 1
34 . ALA . 7065 1
35 . LYS . 7065 1
36 . THR . 7065 1
37 . CYS . 7065 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 7065 1
. ILE 2 2 7065 1
. LEU 3 3 7065 1
. ASP 4 4 7065 1
. THR 5 5 7065 1
. LEU 6 6 7065 1
. LYS 7 7 7065 1
. GLN 8 8 7065 1
. PHE 9 9 7065 1
. ALA 10 10 7065 1
. LYS 11 11 7065 1
. GLY 12 12 7065 1
. VAL 13 13 7065 1
. GLY 14 14 7065 1
. LYS 15 15 7065 1
. ASP 16 16 7065 1
. LEU 17 17 7065 1
. VAL 18 18 7065 1
. LYS 19 19 7065 1
. GLY 20 20 7065 1
. ALA 21 21 7065 1
. ALA 22 22 7065 1
. GLN 23 23 7065 1
. GLY 24 24 7065 1
. VAL 25 25 7065 1
. LEU 26 26 7065 1
. SER 27 27 7065 1
. THR 28 28 7065 1
. VAL 29 29 7065 1
. SER 30 30 7065 1
. CYS 31 31 7065 1
. LYS 32 32 7065 1
. LEU 33 33 7065 1
. ALA 34 34 7065 1
. LYS 35 35 7065 1
. THR 36 36 7065 1
. CYS 37 37 7065 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 7065
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $ggn4 . 8410 . . 'Rana rugosa' 'Rana rugosa' . . Eukaryota Metazoa Rana rugosa . . . . . . . . . . . . . 7065 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 7065
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $ggn4 . 'chemical synthesis' . . . . . . . . . . . . . . . . 7065 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 7065
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'gaegurin 4' . . . 1 $ggn4 . . . . 2 mM . . . . 7065 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_cond_1
_Sample_condition_list.Entry_ID 7065
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 4 0.1 n/a 7065 1
pressure 1 . atm 7065 1
temperature 298 0.1 K 7065 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 7065
_Software.ID 1
_Software.Type .
_Software.Name VNMR
_Software.Version 6.1B
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 7065 1
stop_
save_
save_FELIX
_Software.Sf_category software
_Software.Sf_framecode FELIX
_Software.Entry_ID 7065
_Software.ID 2
_Software.Type .
_Software.Name FELIX
_Software.Version 98.0
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 7065 2
stop_
save_
save_DISCOVER
_Software.Sf_category software
_Software.Sf_framecode DISCOVER
_Software.Entry_ID 7065
_Software.ID 3
_Software.Type .
_Software.Name DISCOVER
_Software.Version 2.98
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 7065 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 7065
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 7065
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer Varian INOVA . 600 . . . 7065 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 7065
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7065 1
2 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7065 1
3 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7065 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 7065
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 7065 1
H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . 7065 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 7065
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 NOESY' 1 $sample_1 . 7065 1
2 '2D TOCSY' 1 $sample_1 . 7065 1
3 '2D DQF-COSY' 1 $sample_1 . 7065 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.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 GLY HA2 H 1 4.010 0.01 . 1 . . . . . . . . . 7065 1
2 . 1 1 1 1 GLY HA3 H 1 3.870 0.01 . 2 . . . . . . . . . 7065 1
3 . 1 1 2 2 ILE H H 1 9.000 0.01 . 1 . . . . . . . . . 7065 1
4 . 1 1 2 2 ILE HA H 1 4.080 0.01 . 1 . . . . . . . . . 7065 1
5 . 1 1 2 2 ILE HB H 1 1.870 0.01 . 1 . . . . . . . . . 7065 1
6 . 1 1 2 2 ILE HG12 H 1 1.290 0.01 . 2 . . . . . . . . . 7065 1
7 . 1 1 2 2 ILE HG13 H 1 1.530 0.01 . 2 . . . . . . . . . 7065 1
8 . 1 1 2 2 ILE HD11 H 1 0.860 0.01 . 1 . . . . . . . . . 7065 1
9 . 1 1 2 2 ILE HD12 H 1 0.860 0.01 . 1 . . . . . . . . . 7065 1
10 . 1 1 2 2 ILE HD13 H 1 0.860 0.01 . 1 . . . . . . . . . 7065 1
11 . 1 1 3 3 LEU H H 1 8.580 0.01 . 1 . . . . . . . . . 7065 1
12 . 1 1 3 3 LEU HA H 1 4.140 0.01 . 1 . . . . . . . . . 7065 1
13 . 1 1 3 3 LEU HB2 H 1 1.800 0.01 . 2 . . . . . . . . . 7065 1
14 . 1 1 3 3 LEU HB3 H 1 1.540 0.01 . 2 . . . . . . . . . 7065 1
15 . 1 1 3 3 LEU HG H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1
16 . 1 1 3 3 LEU HD11 H 1 0.960 0.01 . 1 . . . . . . . . . 7065 1
17 . 1 1 3 3 LEU HD12 H 1 0.960 0.01 . 1 . . . . . . . . . 7065 1
18 . 1 1 3 3 LEU HD13 H 1 0.960 0.01 . 1 . . . . . . . . . 7065 1
19 . 1 1 3 3 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
20 . 1 1 3 3 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
21 . 1 1 3 3 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
22 . 1 1 4 4 ASP H H 1 7.950 0.01 . 1 . . . . . . . . . 7065 1
23 . 1 1 4 4 ASP HA H 1 4.440 0.01 . 1 . . . . . . . . . 7065 1
24 . 1 1 4 4 ASP HB2 H 1 2.950 0.01 . 2 . . . . . . . . . 7065 1
25 . 1 1 4 4 ASP HB3 H 1 2.830 0.01 . 2 . . . . . . . . . 7065 1
26 . 1 1 5 5 THR H H 1 8.000 0.01 . 1 . . . . . . . . . 7065 1
27 . 1 1 5 5 THR HA H 1 4.260 0.01 . 1 . . . . . . . . . 7065 1
28 . 1 1 5 5 THR HB H 1 3.920 0.01 . 1 . . . . . . . . . 7065 1
29 . 1 1 5 5 THR HG21 H 1 1.190 0.01 . 1 . . . . . . . . . 7065 1
30 . 1 1 5 5 THR HG22 H 1 1.190 0.01 . 1 . . . . . . . . . 7065 1
31 . 1 1 5 5 THR HG23 H 1 1.190 0.01 . 1 . . . . . . . . . 7065 1
32 . 1 1 6 6 LEU H H 1 8.330 0.01 . 1 . . . . . . . . . 7065 1
33 . 1 1 6 6 LEU HA H 1 4.120 0.01 . 1 . . . . . . . . . 7065 1
34 . 1 1 6 6 LEU HB2 H 1 1.920 0.01 . 2 . . . . . . . . . 7065 1
35 . 1 1 6 6 LEU HB3 H 1 1.500 0.01 . 2 . . . . . . . . . 7065 1
36 . 1 1 6 6 LEU HG H 1 1.840 0.01 . 1 . . . . . . . . . 7065 1
37 . 1 1 6 6 LEU HD11 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
38 . 1 1 6 6 LEU HD12 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
39 . 1 1 6 6 LEU HD13 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
40 . 1 1 6 6 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
41 . 1 1 6 6 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
42 . 1 1 6 6 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
43 . 1 1 7 7 LYS H H 1 8.170 0.01 . 1 . . . . . . . . . 7065 1
44 . 1 1 7 7 LYS HA H 1 4.020 0.01 . 1 . . . . . . . . . 7065 1
45 . 1 1 7 7 LYS HB2 H 1 2.020 0.01 . 2 . . . . . . . . . 7065 1
46 . 1 1 7 7 LYS HB3 H 1 1.090 0.01 . 2 . . . . . . . . . 7065 1
47 . 1 1 7 7 LYS HG2 H 1 1.490 0.01 . 1 . . . . . . . . . 7065 1
48 . 1 1 7 7 LYS HG3 H 1 1.490 0.01 . 1 . . . . . . . . . 7065 1
49 . 1 1 7 7 LYS HD2 H 1 1.680 0.01 . 1 . . . . . . . . . 7065 1
50 . 1 1 7 7 LYS HD3 H 1 1.680 0.01 . 1 . . . . . . . . . 7065 1
51 . 1 1 7 7 LYS HE2 H 1 2.910 0.01 . 1 . . . . . . . . . 7065 1
52 . 1 1 7 7 LYS HE3 H 1 2.910 0.01 . 1 . . . . . . . . . 7065 1
53 . 1 1 7 7 LYS HZ1 H 1 7.810 0.01 . 1 . . . . . . . . . 7065 1
54 . 1 1 7 7 LYS HZ2 H 1 7.810 0.01 . 1 . . . . . . . . . 7065 1
55 . 1 1 7 7 LYS HZ3 H 1 7.810 0.01 . 1 . . . . . . . . . 7065 1
56 . 1 1 8 8 GLN H H 1 8.140 0.01 . 1 . . . . . . . . . 7065 1
57 . 1 1 8 8 GLN HA H 1 4.040 0.01 . 1 . . . . . . . . . 7065 1
58 . 1 1 8 8 GLN HB2 H 1 2.220 0.01 . 2 . . . . . . . . . 7065 1
59 . 1 1 8 8 GLN HB3 H 1 2.140 0.01 . 2 . . . . . . . . . 7065 1
60 . 1 1 8 8 GLN HG2 H 1 2.420 0.01 . 1 . . . . . . . . . 7065 1
61 . 1 1 8 8 GLN HG3 H 1 2.420 0.01 . 1 . . . . . . . . . 7065 1
62 . 1 1 8 8 GLN HE21 H 1 6.920 0.01 . 2 . . . . . . . . . 7065 1
63 . 1 1 8 8 GLN HE22 H 1 7.570 0.01 . 2 . . . . . . . . . 7065 1
64 . 1 1 9 9 PHE H H 1 8.430 0.01 . 1 . . . . . . . . . 7065 1
65 . 1 1 9 9 PHE HA H 1 4.310 0.01 . 1 . . . . . . . . . 7065 1
66 . 1 1 9 9 PHE HB2 H 1 3.230 0.01 . 1 . . . . . . . . . 7065 1
67 . 1 1 9 9 PHE HB3 H 1 3.230 0.01 . 1 . . . . . . . . . 7065 1
68 . 1 1 9 9 PHE HE1 H 1 7.220 0.01 . 1 . . . . . . . . . 7065 1
69 . 1 1 9 9 PHE HE2 H 1 7.220 0.01 . 1 . . . . . . . . . 7065 1
70 . 1 1 10 10 ALA H H 1 8.420 0.01 . 1 . . . . . . . . . 7065 1
71 . 1 1 10 10 ALA HA H 1 3.940 0.01 . 1 . . . . . . . . . 7065 1
72 . 1 1 10 10 ALA HB1 H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1
73 . 1 1 10 10 ALA HB2 H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1
74 . 1 1 10 10 ALA HB3 H 1 1.540 0.01 . 1 . . . . . . . . . 7065 1
75 . 1 1 11 11 LYS H H 1 8.090 0.01 . 1 . . . . . . . . . 7065 1
76 . 1 1 11 11 LYS HA H 1 4.070 0.01 . 1 . . . . . . . . . 7065 1
77 . 1 1 11 11 LYS HB2 H 1 1.920 0.01 . 1 . . . . . . . . . 7065 1
78 . 1 1 11 11 LYS HB3 H 1 1.920 0.01 . 1 . . . . . . . . . 7065 1
79 . 1 1 11 11 LYS HG2 H 1 1.440 0.01 . 2 . . . . . . . . . 7065 1
80 . 1 1 11 11 LYS HG3 H 1 1.400 0.01 . 2 . . . . . . . . . 7065 1
81 . 1 1 11 11 LYS HD2 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1
82 . 1 1 11 11 LYS HD3 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1
83 . 1 1 11 11 LYS HE2 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1
84 . 1 1 11 11 LYS HE3 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1
85 . 1 1 11 11 LYS HZ1 H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1
86 . 1 1 11 11 LYS HZ2 H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1
87 . 1 1 11 11 LYS HZ3 H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1
88 . 1 1 12 12 GLY H H 1 8.120 0.01 . 1 . . . . . . . . . 7065 1
89 . 1 1 12 12 GLY HA2 H 1 3.870 0.01 . 2 . . . . . . . . . 7065 1
90 . 1 1 12 12 GLY HA3 H 1 3.790 0.01 . 2 . . . . . . . . . 7065 1
91 . 1 1 13 13 VAL H H 1 8.130 0.01 . 1 . . . . . . . . . 7065 1
92 . 1 1 13 13 VAL HA H 1 3.680 0.01 . 1 . . . . . . . . . 7065 1
93 . 1 1 13 13 VAL HB H 1 1.990 0.01 . 1 . . . . . . . . . 7065 1
94 . 1 1 13 13 VAL HG11 H 1 0.860 0.01 . 2 . . . . . . . . . 7065 1
95 . 1 1 13 13 VAL HG12 H 1 0.860 0.01 . 2 . . . . . . . . . 7065 1
96 . 1 1 13 13 VAL HG13 H 1 0.860 0.01 . 2 . . . . . . . . . 7065 1
97 . 1 1 13 13 VAL HG21 H 1 0.730 0.01 . 2 . . . . . . . . . 7065 1
98 . 1 1 13 13 VAL HG22 H 1 0.730 0.01 . 2 . . . . . . . . . 7065 1
99 . 1 1 13 13 VAL HG23 H 1 0.730 0.01 . 2 . . . . . . . . . 7065 1
100 . 1 1 14 14 GLY H H 1 8.300 0.01 . 1 . . . . . . . . . 7065 1
101 . 1 1 14 14 GLY HA2 H 1 3.830 0.01 . 2 . . . . . . . . . 7065 1
102 . 1 1 14 14 GLY HA3 H 1 3.690 0.01 . 2 . . . . . . . . . 7065 1
103 . 1 1 15 15 LYS H H 1 8.020 0.01 . 1 . . . . . . . . . 7065 1
104 . 1 1 15 15 LYS HA H 1 4.000 0.01 . 1 . . . . . . . . . 7065 1
105 . 1 1 15 15 LYS HB2 H 1 1.900 0.01 . 1 . . . . . . . . . 7065 1
106 . 1 1 15 15 LYS HB3 H 1 1.900 0.01 . 1 . . . . . . . . . 7065 1
107 . 1 1 15 15 LYS HG2 H 1 1.410 0.01 . 1 . . . . . . . . . 7065 1
108 . 1 1 15 15 LYS HG3 H 1 1.410 0.01 . 1 . . . . . . . . . 7065 1
109 . 1 1 15 15 LYS HD2 H 1 1.670 0.01 . 2 . . . . . . . . . 7065 1
110 . 1 1 15 15 LYS HD3 H 1 1.610 0.01 . 2 . . . . . . . . . 7065 1
111 . 1 1 15 15 LYS HE2 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1
112 . 1 1 15 15 LYS HE3 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1
113 . 1 1 15 15 LYS HZ1 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1
114 . 1 1 15 15 LYS HZ2 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1
115 . 1 1 15 15 LYS HZ3 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1
116 . 1 1 16 16 ASP H H 1 8.170 0.01 . 1 . . . . . . . . . 7065 1
117 . 1 1 16 16 ASP HA H 1 4.400 0.01 . 1 . . . . . . . . . 7065 1
118 . 1 1 16 16 ASP HB2 H 1 3.070 0.01 . 2 . . . . . . . . . 7065 1
119 . 1 1 16 16 ASP HB3 H 1 2.830 0.01 . 2 . . . . . . . . . 7065 1
120 . 1 1 17 17 LEU H H 1 8.350 0.01 . 1 . . . . . . . . . 7065 1
121 . 1 1 17 17 LEU HA H 1 4.140 0.01 . 1 . . . . . . . . . 7065 1
122 . 1 1 17 17 LEU HB2 H 1 1.950 0.01 . 2 . . . . . . . . . 7065 1
123 . 1 1 17 17 LEU HB3 H 1 1.510 0.01 . 2 . . . . . . . . . 7065 1
124 . 1 1 17 17 LEU HG H 1 1.850 0.01 . 1 . . . . . . . . . 7065 1
125 . 1 1 17 17 LEU HD11 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
126 . 1 1 17 17 LEU HD12 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
127 . 1 1 17 17 LEU HD13 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
128 . 1 1 17 17 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
129 . 1 1 17 17 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
130 . 1 1 17 17 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
131 . 1 1 18 18 VAL H H 1 7.970 0.01 . 1 . . . . . . . . . 7065 1
132 . 1 1 18 18 VAL HA H 1 3.720 0.01 . 1 . . . . . . . . . 7065 1
133 . 1 1 18 18 VAL HB H 1 2.170 0.01 . 1 . . . . . . . . . 7065 1
134 . 1 1 18 18 VAL HG11 H 1 1.060 0.01 . 2 . . . . . . . . . 7065 1
135 . 1 1 18 18 VAL HG12 H 1 1.060 0.01 . 2 . . . . . . . . . 7065 1
136 . 1 1 18 18 VAL HG13 H 1 1.060 0.01 . 2 . . . . . . . . . 7065 1
137 . 1 1 18 18 VAL HG21 H 1 0.960 0.01 . 2 . . . . . . . . . 7065 1
138 . 1 1 18 18 VAL HG22 H 1 0.960 0.01 . 2 . . . . . . . . . 7065 1
139 . 1 1 18 18 VAL HG23 H 1 0.960 0.01 . 2 . . . . . . . . . 7065 1
140 . 1 1 19 19 LYS H H 1 8.240 0.01 . 1 . . . . . . . . . 7065 1
141 . 1 1 19 19 LYS HA H 1 4.060 0.01 . 1 . . . . . . . . . 7065 1
142 . 1 1 19 19 LYS HB2 H 1 1.910 0.01 . 1 . . . . . . . . . 7065 1
143 . 1 1 19 19 LYS HB3 H 1 1.910 0.01 . 1 . . . . . . . . . 7065 1
144 . 1 1 19 19 LYS HG2 H 1 1.440 0.01 . 1 . . . . . . . . . 7065 1
145 . 1 1 19 19 LYS HG3 H 1 1.440 0.01 . 1 . . . . . . . . . 7065 1
146 . 1 1 19 19 LYS HD2 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1
147 . 1 1 19 19 LYS HD3 H 1 1.670 0.01 . 1 . . . . . . . . . 7065 1
148 . 1 1 19 19 LYS HE2 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1
149 . 1 1 19 19 LYS HE3 H 1 2.920 0.01 . 1 . . . . . . . . . 7065 1
150 . 1 1 19 19 LYS HZ1 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1
151 . 1 1 19 19 LYS HZ2 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1
152 . 1 1 19 19 LYS HZ3 H 1 7.830 0.01 . 1 . . . . . . . . . 7065 1
153 . 1 1 20 20 GLY H H 1 8.420 0.01 . 1 . . . . . . . . . 7065 1
154 . 1 1 20 20 GLY HA2 H 1 3.870 0.01 . 1 . . . . . . . . . 7065 1
155 . 1 1 20 20 GLY HA3 H 1 3.870 0.01 . 1 . . . . . . . . . 7065 1
156 . 1 1 21 21 ALA H H 1 8.230 0.01 . 1 . . . . . . . . . 7065 1
157 . 1 1 21 21 ALA HA H 1 4.200 0.01 . 1 . . . . . . . . . 7065 1
158 . 1 1 21 21 ALA HB1 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
159 . 1 1 21 21 ALA HB2 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
160 . 1 1 21 21 ALA HB3 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
161 . 1 1 22 22 ALA H H 1 8.310 0.01 . 1 . . . . . . . . . 7065 1
162 . 1 1 22 22 ALA HA H 1 4.070 0.01 . 1 . . . . . . . . . 7065 1
163 . 1 1 22 22 ALA HB1 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
164 . 1 1 22 22 ALA HB2 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
165 . 1 1 22 22 ALA HB3 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
166 . 1 1 23 23 GLN H H 1 8.340 0.01 . 1 . . . . . . . . . 7065 1
167 . 1 1 23 23 GLN HA H 1 4.030 0.01 . 1 . . . . . . . . . 7065 1
168 . 1 1 23 23 GLN HB2 H 1 2.230 0.01 . 2 . . . . . . . . . 7065 1
169 . 1 1 23 23 GLN HB3 H 1 2.140 0.01 . 2 . . . . . . . . . 7065 1
170 . 1 1 23 23 GLN HG2 H 1 2.460 0.01 . 2 . . . . . . . . . 7065 1
171 . 1 1 23 23 GLN HG3 H 1 2.370 0.01 . 2 . . . . . . . . . 7065 1
172 . 1 1 24 24 GLY H H 1 8.300 0.01 . 1 . . . . . . . . . 7065 1
173 . 1 1 24 24 GLY HA2 H 1 3.940 0.01 . 1 . . . . . . . . . 7065 1
174 . 1 1 24 24 GLY HA3 H 1 3.940 0.01 . 1 . . . . . . . . . 7065 1
175 . 1 1 25 25 VAL H H 1 8.100 0.01 . 1 . . . . . . . . . 7065 1
176 . 1 1 25 25 VAL HA H 1 3.760 0.01 . 1 . . . . . . . . . 7065 1
177 . 1 1 25 25 VAL HB H 1 2.210 0.01 . 1 . . . . . . . . . 7065 1
178 . 1 1 25 25 VAL HG11 H 1 1.070 0.01 . 2 . . . . . . . . . 7065 1
179 . 1 1 25 25 VAL HG12 H 1 1.070 0.01 . 2 . . . . . . . . . 7065 1
180 . 1 1 25 25 VAL HG13 H 1 1.070 0.01 . 2 . . . . . . . . . 7065 1
181 . 1 1 25 25 VAL HG21 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1
182 . 1 1 25 25 VAL HG22 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1
183 . 1 1 25 25 VAL HG23 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1
184 . 1 1 26 26 LEU H H 1 8.250 0.01 . 1 . . . . . . . . . 7065 1
185 . 1 1 26 26 LEU HA H 1 4.060 0.01 . 1 . . . . . . . . . 7065 1
186 . 1 1 26 26 LEU HB2 H 1 1.810 0.01 . 2 . . . . . . . . . 7065 1
187 . 1 1 26 26 LEU HB3 H 1 1.420 0.01 . 2 . . . . . . . . . 7065 1
188 . 1 1 26 26 LEU HG H 1 1.640 0.01 . 1 . . . . . . . . . 7065 1
189 . 1 1 26 26 LEU HD11 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1
190 . 1 1 26 26 LEU HD12 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1
191 . 1 1 26 26 LEU HD13 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1
192 . 1 1 26 26 LEU HD21 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1
193 . 1 1 26 26 LEU HD22 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1
194 . 1 1 26 26 LEU HD23 H 1 0.890 0.01 . 1 . . . . . . . . . 7065 1
195 . 1 1 27 27 SER H H 1 8.520 0.01 . 1 . . . . . . . . . 7065 1
196 . 1 1 27 27 SER HA H 1 4.170 0.01 . 1 . . . . . . . . . 7065 1
197 . 1 1 27 27 SER HB2 H 1 4.010 0.01 . 2 . . . . . . . . . 7065 1
198 . 1 1 27 27 SER HB3 H 1 3.930 0.01 . 2 . . . . . . . . . 7065 1
199 . 1 1 28 28 THR H H 1 7.850 0.01 . 1 . . . . . . . . . 7065 1
200 . 1 1 28 28 THR HA H 1 4.430 0.01 . 1 . . . . . . . . . 7065 1
201 . 1 1 28 28 THR HB H 1 4.300 0.01 . 1 . . . . . . . . . 7065 1
202 . 1 1 28 28 THR HG21 H 1 1.200 0.01 . 1 . . . . . . . . . 7065 1
203 . 1 1 28 28 THR HG22 H 1 1.200 0.01 . 1 . . . . . . . . . 7065 1
204 . 1 1 28 28 THR HG23 H 1 1.200 0.01 . 1 . . . . . . . . . 7065 1
205 . 1 1 29 29 VAL H H 1 8.290 0.01 . 1 . . . . . . . . . 7065 1
206 . 1 1 29 29 VAL HA H 1 3.580 0.01 . 1 . . . . . . . . . 7065 1
207 . 1 1 29 29 VAL HB H 1 2.170 0.01 . 1 . . . . . . . . . 7065 1
208 . 1 1 29 29 VAL HG11 H 1 1.050 0.01 . 2 . . . . . . . . . 7065 1
209 . 1 1 29 29 VAL HG12 H 1 1.050 0.01 . 2 . . . . . . . . . 7065 1
210 . 1 1 29 29 VAL HG13 H 1 1.050 0.01 . 2 . . . . . . . . . 7065 1
211 . 1 1 29 29 VAL HG21 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1
212 . 1 1 29 29 VAL HG22 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1
213 . 1 1 29 29 VAL HG23 H 1 0.930 0.01 . 2 . . . . . . . . . 7065 1
214 . 1 1 30 30 SER H H 1 8.090 0.01 . 1 . . . . . . . . . 7065 1
215 . 1 1 30 30 SER HA H 1 4.120 0.01 . 1 . . . . . . . . . 7065 1
216 . 1 1 30 30 SER HB2 H 1 3.990 0.01 . 2 . . . . . . . . . 7065 1
217 . 1 1 30 30 SER HB3 H 1 3.880 0.01 . 2 . . . . . . . . . 7065 1
218 . 1 1 31 31 CYS H H 1 8.860 0.01 . 1 . . . . . . . . . 7065 1
219 . 1 1 31 31 CYS HA H 1 4.570 0.01 . 1 . . . . . . . . . 7065 1
220 . 1 1 31 31 CYS HB2 H 1 3.580 0.01 . 2 . . . . . . . . . 7065 1
221 . 1 1 31 31 CYS HB3 H 1 2.880 0.01 . 2 . . . . . . . . . 7065 1
222 . 1 1 32 32 LYS H H 1 8.430 0.01 . 1 . . . . . . . . . 7065 1
223 . 1 1 32 32 LYS HA H 1 4.200 0.01 . 1 . . . . . . . . . 7065 1
224 . 1 1 32 32 LYS HB2 H 1 2.180 0.01 . 1 . . . . . . . . . 7065 1
225 . 1 1 32 32 LYS HB3 H 1 2.180 0.01 . 1 . . . . . . . . . 7065 1
226 . 1 1 32 32 LYS HG2 H 1 1.700 0.01 . 2 . . . . . . . . . 7065 1
227 . 1 1 32 32 LYS HG3 H 1 1.450 0.01 . 2 . . . . . . . . . 7065 1
228 . 1 1 32 32 LYS HD2 H 1 1.820 0.01 . 2 . . . . . . . . . 7065 1
229 . 1 1 32 32 LYS HD3 H 1 1.520 0.01 . 2 . . . . . . . . . 7065 1
230 . 1 1 32 32 LYS HE2 H 1 2.840 0.01 . 2 . . . . . . . . . 7065 1
231 . 1 1 32 32 LYS HE3 H 1 2.790 0.01 . 2 . . . . . . . . . 7065 1
232 . 1 1 32 32 LYS HZ1 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1
233 . 1 1 32 32 LYS HZ2 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1
234 . 1 1 32 32 LYS HZ3 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1
235 . 1 1 33 33 LEU H H 1 8.170 0.01 . 1 . . . . . . . . . 7065 1
236 . 1 1 33 33 LEU HA H 1 4.100 0.01 . 1 . . . . . . . . . 7065 1
237 . 1 1 33 33 LEU HB2 H 1 1.900 0.01 . 2 . . . . . . . . . 7065 1
238 . 1 1 33 33 LEU HB3 H 1 1.520 0.01 . 2 . . . . . . . . . 7065 1
239 . 1 1 33 33 LEU HG H 1 1.700 0.01 . 1 . . . . . . . . . 7065 1
240 . 1 1 33 33 LEU HD11 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
241 . 1 1 33 33 LEU HD12 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
242 . 1 1 33 33 LEU HD13 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
243 . 1 1 33 33 LEU HD21 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
244 . 1 1 33 33 LEU HD22 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
245 . 1 1 33 33 LEU HD23 H 1 0.880 0.01 . 1 . . . . . . . . . 7065 1
246 . 1 1 34 34 ALA H H 1 7.820 0.01 . 1 . . . . . . . . . 7065 1
247 . 1 1 34 34 ALA HA H 1 4.200 0.01 . 1 . . . . . . . . . 7065 1
248 . 1 1 34 34 ALA HB1 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
249 . 1 1 34 34 ALA HB2 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
250 . 1 1 34 34 ALA HB3 H 1 1.500 0.01 . 1 . . . . . . . . . 7065 1
251 . 1 1 35 35 LYS H H 1 7.770 0.01 . 1 . . . . . . . . . 7065 1
252 . 1 1 35 35 LYS HA H 1 4.060 0.01 . 1 . . . . . . . . . 7065 1
253 . 1 1 35 35 LYS HB2 H 1 2.290 0.01 . 2 . . . . . . . . . 7065 1
254 . 1 1 35 35 LYS HB3 H 1 2.030 0.01 . 2 . . . . . . . . . 7065 1
255 . 1 1 35 35 LYS HG2 H 1 1.450 0.01 . 1 . . . . . . . . . 7065 1
256 . 1 1 35 35 LYS HG3 H 1 1.450 0.01 . 1 . . . . . . . . . 7065 1
257 . 1 1 35 35 LYS HD2 H 1 1.800 0.01 . 2 . . . . . . . . . 7065 1
258 . 1 1 35 35 LYS HD3 H 1 1.680 0.01 . 2 . . . . . . . . . 7065 1
259 . 1 1 35 35 LYS HE2 H 1 3.000 0.01 . 1 . . . . . . . . . 7065 1
260 . 1 1 35 35 LYS HE3 H 1 3.000 0.01 . 1 . . . . . . . . . 7065 1
261 . 1 1 35 35 LYS HZ1 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1
262 . 1 1 35 35 LYS HZ2 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1
263 . 1 1 35 35 LYS HZ3 H 1 7.940 0.01 . 1 . . . . . . . . . 7065 1
264 . 1 1 36 36 THR H H 1 8.670 0.01 . 1 . . . . . . . . . 7065 1
265 . 1 1 36 36 THR HA H 1 4.440 0.01 . 1 . . . . . . . . . 7065 1
266 . 1 1 36 36 THR HB H 1 4.440 0.01 . 1 . . . . . . . . . 7065 1
267 . 1 1 36 36 THR HG21 H 1 1.090 0.01 . 1 . . . . . . . . . 7065 1
268 . 1 1 36 36 THR HG22 H 1 1.090 0.01 . 1 . . . . . . . . . 7065 1
269 . 1 1 36 36 THR HG23 H 1 1.090 0.01 . 1 . . . . . . . . . 7065 1
270 . 1 1 37 37 CYS H H 1 7.730 0.01 . 1 . . . . . . . . . 7065 1
271 . 1 1 37 37 CYS HA H 1 4.420 0.01 . 1 . . . . . . . . . 7065 1
272 . 1 1 37 37 CYS HB2 H 1 3.880 0.01 . 2 . . . . . . . . . 7065 1
273 . 1 1 37 37 CYS HB3 H 1 2.680 0.01 . 2 . . . . . . . . . 7065 1
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