data_7262
save_study_list
_Study_list.Sf_category study_list
_Study_list.Sf_framecode study_list
_Study_list.Entry_ID 7262
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 NN-BP-6 'Structure analysis' 'NMR structure of the N-terminal subdomain of IGFBP-6(1-45IGFBP-6)' 7262 1
stop_
loop_
_Study_keyword.Study_ID
_Study_keyword.Keyword
_Study_keyword.Entry_ID
_Study_keyword.Study_list_ID
. IGFBP-6 7262 1
. 'Insulin like growth factors' 7262 1
stop_
save_
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7262
_Entry.Title
;
NMR assignments of the the N-terminal subdomain of IGFBP-6
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2006-08-10
_Entry.Accession_date 2006-08-11
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_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.Entry_ID
1 Indu Chandrashekaran . R. . 7262
2 Shenggen Yao . . . 7262
3 Chunxiao Wang . C. . 7262
4 Paramjit Bansal . S. . 7262
5 Paul Alewood . F. . 7262
6 John Wallace . C. . 7262
7 Leon Bach . A. . 7262
8 Raymond Norton . S. . 7262
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
. . WEHI . 7262
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 7262
coupling_constants 1 7262
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 37 7262
'15N chemical shifts' 35 7262
'1H chemical shifts' 199 7262
'coupling constants' 15 7262
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
2 . . 2007-03-20 2006-08-10 update author 'complete citation' 7262
1 . . 2007-03-06 2006-08-10 original author 'original release' 7262
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2JM2 'BMRB Entry Tracking System' 7262
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 7262
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 17305365
_Citation.Full_citation .
_Citation.Title
;
The N-Terminal Subdomain of Insulin-like Growth Factor (IGF) Binding Protein 6.
Structure and Interaction with IGFs
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full .
_Citation.Journal_volume 46
_Citation.Journal_issue 11
_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 3065
_Citation.Page_last 3074
_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.Entry_ID
_Citation_author.Citation_ID
1 Indu Chandrashekaran . R. . 7262 1
2 Shenggen Yao . . . 7262 1
3 Chunxiao Wang . C. . 7262 1
4 Paramjit Bansal . S. . 7262 1
5 Paul Alewood . F. . 7262 1
6 B. Forbes . E. . 7262 1
7 John Wallace . C. . 7262 1
8 Leon Bach . A. . 7262 1
9 Raymond Norton . S. . 7262 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
IGFBP-6 7262 1
'Insulin like growth factors' 7262 1
'NMR assignments' 7262 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 7262
_Assembly.ID 1
_Assembly.Name 1-45IGFBP-6
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites no
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state 'all disulfide bound'
_Assembly.Molecular_mass 4365.7
_Assembly.Enzyme_commission_number .
_Assembly.Details '1-45 of IGFBP-6 comprising the N-terminal subdomain of IGFBP-6'
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
protein 7262 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 1-45IGFBP-6 1 $1-45IGFBP-6 . . yes native no no . . . 7262 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_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_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 5 5 SG . 1 . 1 CYS 8 8 SG . . . . . . . . . . 7262 1
2 disulfide single . 1 . 1 CYS 16 16 SG . 1 . 1 CYS 20 20 SG . . . . . . . . . . 7262 1
3 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 39 39 SG . . . . . . . . . . 7262 1
stop_
loop_
_Assembly_bio_function.Biological_function
_Assembly_bio_function.Entry_ID
_Assembly_bio_function.Assembly_ID
'Insulin like growth factor regulation' 7262 1
stop_
loop_
_Assembly_keyword.Keyword
_Assembly_keyword.Entry_ID
_Assembly_keyword.Assembly_ID
IGFBP-6 7262 1
'Insulin like growth factors' 7262 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_1-45IGFBP-6
_Entity.Sf_category entity
_Entity.Sf_framecode 1-45IGFBP-6
_Entity.Entry_ID 7262
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name NN-BP-6
_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
;
ALARCPGCGQGVQAGCPGGC
VEEEDGGSPAEGCAEAEGCL
RREGQ
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 45
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_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_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'IGF binding protein' 7262 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
NN-BP-6 . 7262 1
stop_
loop_
_Entity_keyword.Keyword
_Entity_keyword.Entry_ID
_Entity_keyword.Entity_ID
IGFBP-6 7262 1
'Insulin like growth factors' 7262 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 . ALA . 7262 1
2 . LEU . 7262 1
3 . ALA . 7262 1
4 . ARG . 7262 1
5 . CYS . 7262 1
6 . PRO . 7262 1
7 . GLY . 7262 1
8 . CYS . 7262 1
9 . GLY . 7262 1
10 . GLN . 7262 1
11 . GLY . 7262 1
12 . VAL . 7262 1
13 . GLN . 7262 1
14 . ALA . 7262 1
15 . GLY . 7262 1
16 . CYS . 7262 1
17 . PRO . 7262 1
18 . GLY . 7262 1
19 . GLY . 7262 1
20 . CYS . 7262 1
21 . VAL . 7262 1
22 . GLU . 7262 1
23 . GLU . 7262 1
24 . GLU . 7262 1
25 . ASP . 7262 1
26 . GLY . 7262 1
27 . GLY . 7262 1
28 . SER . 7262 1
29 . PRO . 7262 1
30 . ALA . 7262 1
31 . GLU . 7262 1
32 . GLY . 7262 1
33 . CYS . 7262 1
34 . ALA . 7262 1
35 . GLU . 7262 1
36 . ALA . 7262 1
37 . GLU . 7262 1
38 . GLY . 7262 1
39 . CYS . 7262 1
40 . LEU . 7262 1
41 . ARG . 7262 1
42 . ARG . 7262 1
43 . GLU . 7262 1
44 . GLY . 7262 1
45 . GLN . 7262 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
. ALA 1 1 7262 1
. LEU 2 2 7262 1
. ALA 3 3 7262 1
. ARG 4 4 7262 1
. CYS 5 5 7262 1
. PRO 6 6 7262 1
. GLY 7 7 7262 1
. CYS 8 8 7262 1
. GLY 9 9 7262 1
. GLN 10 10 7262 1
. GLY 11 11 7262 1
. VAL 12 12 7262 1
. GLN 13 13 7262 1
. ALA 14 14 7262 1
. GLY 15 15 7262 1
. CYS 16 16 7262 1
. PRO 17 17 7262 1
. GLY 18 18 7262 1
. GLY 19 19 7262 1
. CYS 20 20 7262 1
. VAL 21 21 7262 1
. GLU 22 22 7262 1
. GLU 23 23 7262 1
. GLU 24 24 7262 1
. ASP 25 25 7262 1
. GLY 26 26 7262 1
. GLY 27 27 7262 1
. SER 28 28 7262 1
. PRO 29 29 7262 1
. ALA 30 30 7262 1
. GLU 31 31 7262 1
. GLY 32 32 7262 1
. CYS 33 33 7262 1
. ALA 34 34 7262 1
. GLU 35 35 7262 1
. ALA 36 36 7262 1
. GLU 37 37 7262 1
. GLY 38 38 7262 1
. CYS 39 39 7262 1
. LEU 40 40 7262 1
. ARG 41 41 7262 1
. ARG 42 42 7262 1
. GLU 43 43 7262 1
. GLY 44 44 7262 1
. GLN 45 45 7262 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 7262
_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.Subvariant
_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.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $1-45IGFBP-6 . 9606 organism no 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7262 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 7262
_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_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_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.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $1-45IGFBP-6 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7262 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 7262
_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 NN-BP-6 . . . 1 $1-45IGFBP-6 . protein 1.1 . . mM . . . . 7262 1
2 'Sodium acetate' . . . . . . buffer 10 . . mM . . . . 7262 1
3 'Sodium azide' . . . . . . . 0.02 . . % . . . . 7262 1
4 D2O . . . . . . . 5 . . % . . . . 7262 1
stop_
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode conditions_1
_Sample_condition_list.Entry_ID 7262
_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
'ionic strength' 10 0.002 mM 7262 1
pH 4.3 0.1 pH 7262 1
temperature 288 0.2 K 7262 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 7262
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version 1.3
_Software.Details 'Data collection and processing'
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 7262 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 7262
_Software.ID 2
_Software.Name XEASY
_Software.Version 1.3
_Software.Details 'Peak assignment'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_500MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 500MHz_spectrometer
_NMR_spectrometer.Entry_ID 7262
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_600MHz_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode 600MHz_spectrometer
_NMR_spectrometer.Entry_ID 7262
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_NMR_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode NMR_experiment_list
_Experiment_list.Entry_ID 7262
_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 '1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1
2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1
3 '2D 1H-1H DQF-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1
4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 2 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1
5 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 7262 1
stop_
save_
save_1H-13C_HMQC
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode 1H-13C_HMQC
_NMR_spec_expt.Entry_ID 7262
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '1H-13C HMQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_2D_1H-1H_NOESY
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode 2D_1H-1H_NOESY
_NMR_spec_expt.Entry_ID 7262
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '2D 1H-1H NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 2
_NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_2D_1H-1H_DQF-COSY
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode 2D_1H-1H_DQF-COSY
_NMR_spec_expt.Entry_ID 7262
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '2D 1H-1H DQF-COSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 2
_NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_2D_1H-1H_TOCSY
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode 2D_1H-1H_TOCSY
_NMR_spec_expt.Entry_ID 7262
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name '2D 1H-1H TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 2
_NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_1H15N_HSQC
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode 1H15N_HSQC
_NMR_spec_expt.Entry_ID 7262
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name '1H15N HSQC'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_referencing
_Chem_shift_reference.Entry_ID 7262
_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.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7262 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7262 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7262 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_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 7262
_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 '1H-13C HMQC' 1 $sample_1 isotropic 7262 1
2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 7262 1
3 '2D 1H-1H DQF-COSY' 1 $sample_1 isotropic 7262 1
4 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 7262 1
5 '1H15N HSQC' 1 $sample_1 isotropic 7262 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 . . 7262 1
2 $software_2 . . 7262 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 ALA HA H 1 4.09 0.02 . 1 . . . . 1 ALA HA . 7262 1
2 . 1 1 1 1 ALA HB1 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1
3 . 1 1 1 1 ALA HB2 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1
4 . 1 1 1 1 ALA HB3 H 1 1.52 0.02 . 1 . . . . 1 ALA HB . 7262 1
5 . 1 1 1 1 ALA CA C 13 51.3 0.5 . 1 . . . . 1 ALA CA . 7262 1
6 . 1 1 1 1 ALA CB C 13 19 0.5 . 1 . . . . 1 ALA CB . 7262 1
7 . 1 1 2 2 LEU H H 1 8.59 0.02 . 1 . . . . 2 LEU H . 7262 1
8 . 1 1 2 2 LEU HA H 1 4.33 0.02 . 1 . . . . 2 LEU HA . 7262 1
9 . 1 1 2 2 LEU HB2 H 1 1.6 0.02 . 2 . . . . 2 LEU HB2 . 7262 1
10 . 1 1 2 2 LEU HD11 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1
11 . 1 1 2 2 LEU HD12 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1
12 . 1 1 2 2 LEU HD13 H 1 0.92 0.02 . 2 . . . . 2 LEU HD1 . 7262 1
13 . 1 1 2 2 LEU N N 15 124.4 0.5 . 1 . . . . 2 LEU N . 7262 1
14 . 1 1 3 3 ALA H H 1 8.54 0.02 . 1 . . . . 3 ALA H . 7262 1
15 . 1 1 3 3 ALA HA H 1 4.35 0.02 . 1 . . . . 3 ALA HA . 7262 1
16 . 1 1 3 3 ALA HB1 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1
17 . 1 1 3 3 ALA HB2 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1
18 . 1 1 3 3 ALA HB3 H 1 1.38 0.02 . 1 . . . . 3 ALA HB . 7262 1
19 . 1 1 3 3 ALA CA C 13 52.3 0.5 . 1 . . . . 3 ALA CA . 7262 1
20 . 1 1 3 3 ALA N N 15 124.2 0.5 . 1 . . . . 3 ALA N . 7262 1
21 . 1 1 4 4 ARG H H 1 8.5 0.02 . 1 . . . . 4 ARG H . 7262 1
22 . 1 1 4 4 ARG HA H 1 4.33 0.02 . 1 . . . . 4 ARG HA . 7262 1
23 . 1 1 4 4 ARG HB2 H 1 1.84 0.02 . 2 . . . . 4 ARG HB2 . 7262 1
24 . 1 1 4 4 ARG HB3 H 1 1.76 0.02 . 2 . . . . 4 ARG HB3 . 7262 1
25 . 1 1 4 4 ARG HG2 H 1 1.64 0.02 . 2 . . . . 4 ARG HG2 . 7262 1
26 . 1 1 4 4 ARG HD2 H 1 3.193 0.02 . 2 . . . . 4 ARG HD2 . 7262 1
27 . 1 1 4 4 ARG N N 15 120.6 0.5 . 1 . . . . 4 ARG N . 7262 1
28 . 1 1 5 5 CYS H H 1 8.43 0.02 . 1 . . . . 5 CYS H . 7262 1
29 . 1 1 5 5 CYS HA H 1 4.89 0.02 . 1 . . . . 5 CYS HA . 7262 1
30 . 1 1 5 5 CYS HB2 H 1 3.2 0.02 . 2 . . . . 5 CYS HB2 . 7262 1
31 . 1 1 5 5 CYS HB3 H 1 3.38 0.02 . 2 . . . . 5 CYS HB3 . 7262 1
32 . 1 1 5 5 CYS N N 15 120.1 0.5 . 1 . . . . 5 CYS N . 7262 1
33 . 1 1 6 6 PRO HA H 1 4.42 0.02 . 1 . . . . 6 PRO HA . 7262 1
34 . 1 1 6 6 PRO HB2 H 1 2.16 0.02 . 2 . . . . 6 PRO HB2 . 7262 1
35 . 1 1 6 6 PRO HB3 H 1 2.31 0.02 . 2 . . . . 6 PRO HB3 . 7262 1
36 . 1 1 6 6 PRO HG2 H 1 2 0.02 . 2 . . . . 6 PRO HG2 . 7262 1
37 . 1 1 6 6 PRO HD2 H 1 3.71 0.02 . 2 . . . . 6 PRO HD2 . 7262 1
38 . 1 1 6 6 PRO HD3 H 1 3.84 0.02 . 2 . . . . 6 PRO HD3 . 7262 1
39 . 1 1 6 6 PRO CA C 13 64.3 0.5 . 1 . . . . 6 PRO CA . 7262 1
40 . 1 1 7 7 GLY H H 1 8.87 0.02 . 1 . . . . 7 GLY H . 7262 1
41 . 1 1 7 7 GLY HA2 H 1 3.99 0.02 . 2 . . . . 7 GLY HA2 . 7262 1
42 . 1 1 7 7 GLY HA3 H 1 3.92 0.02 . 2 . . . . 7 GLY HA3 . 7262 1
43 . 1 1 7 7 GLY CA C 13 45.1 0.5 . 1 . . . . 7 GLY CA . 7262 1
44 . 1 1 7 7 GLY N N 15 110.7 0.5 . 1 . . . . 7 GLY N . 7262 1
45 . 1 1 8 8 CYS H H 1 7.93 0.02 . 1 . . . . 8 CYS H . 7262 1
46 . 1 1 8 8 CYS HA H 1 4.46 0.02 . 1 . . . . 8 CYS HA . 7262 1
47 . 1 1 8 8 CYS HB2 H 1 3.2 0.02 . 2 . . . . 8 CYS HB2 . 7262 1
48 . 1 1 8 8 CYS HB3 H 1 3.42 0.02 . 2 . . . . 8 CYS HB3 . 7262 1
49 . 1 1 8 8 CYS CA C 13 58.3 0.5 . 1 . . . . 8 CYS CA . 7262 1
50 . 1 1 8 8 CYS CB C 13 38.3 0.5 . 1 . . . . 8 CYS CB . 7262 1
51 . 1 1 8 8 CYS N N 15 119.2 0.5 . 1 . . . . 8 CYS N . 7262 1
52 . 1 1 9 9 GLY H H 1 8.66 0.02 . 1 . . . . 9 GLY H . 7262 1
53 . 1 1 9 9 GLY HA2 H 1 3.97 0.02 . 2 . . . . 9 GLY HA2 . 7262 1
54 . 1 1 9 9 GLY N N 15 109.8 0.5 . 1 . . . . 9 GLY N . 7262 1
55 . 1 1 10 10 GLN H H 1 8.38 0.02 . 1 . . . . 10 GLN H . 7262 1
56 . 1 1 10 10 GLN HA H 1 4.34 0.02 . 1 . . . . 10 GLN HA . 7262 1
57 . 1 1 10 10 GLN HB2 H 1 2.15 0.02 . 2 . . . . 10 GLN HB2 . 7262 1
58 . 1 1 10 10 GLN HB3 H 1 1.98 0.02 . 2 . . . . 10 GLN HB3 . 7262 1
59 . 1 1 10 10 GLN HG2 H 1 2.36 0.02 . 2 . . . . 10 GLN HG2 . 7262 1
60 . 1 1 10 10 GLN HE21 H 1 7.56 0.02 . 2 . . . . 10 GLN HE21 . 7262 1
61 . 1 1 11 11 GLY H H 1 8.56 0.02 . 1 . . . . 11 GLY H . 7262 1
62 . 1 1 11 11 GLY HA2 H 1 3.98 0.02 . 2 . . . . 11 GLY HA2 . 7262 1
63 . 1 1 11 11 GLY N N 15 110.2 0.5 . 1 . . . . 11 GLY N . 7262 1
64 . 1 1 12 12 VAL H H 1 8.13 0.02 . 1 . . . . 12 VAL H . 7262 1
65 . 1 1 12 12 VAL HA H 1 4.11 0.02 . 1 . . . . 12 VAL HA . 7262 1
66 . 1 1 12 12 VAL HB H 1 2.08 0.02 . 1 . . . . 12 VAL HB . 7262 1
67 . 1 1 12 12 VAL HG11 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1
68 . 1 1 12 12 VAL HG12 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1
69 . 1 1 12 12 VAL HG13 H 1 0.92 0.02 . 2 . . . . 12 VAL HG1 . 7262 1
70 . 1 1 12 12 VAL CA C 13 62.3 0.5 . 1 . . . . 12 VAL CA . 7262 1
71 . 1 1 12 12 VAL CB C 13 32.5 0.5 . 1 . . . . 12 VAL CB . 7262 1
72 . 1 1 12 12 VAL N N 15 119.6 0.5 . 1 . . . . 12 VAL N . 7262 1
73 . 1 1 13 13 GLN H H 1 8.55 0.02 . 1 . . . . 13 GLN H . 7262 1
74 . 1 1 13 13 GLN HA H 1 4.35 0.02 . 1 . . . . 13 GLN HA . 7262 1
75 . 1 1 13 13 GLN HB2 H 1 2.11 0.02 . 2 . . . . 13 GLN HB2 . 7262 1
76 . 1 1 13 13 GLN HB3 H 1 1.98 0.02 . 2 . . . . 13 GLN HB3 . 7262 1
77 . 1 1 13 13 GLN HG2 H 1 2.38 0.02 . 2 . . . . 13 GLN HG2 . 7262 1
78 . 1 1 13 13 GLN CA C 13 54.8 0.5 . 1 . . . . 13 GLN CA . 7262 1
79 . 1 1 13 13 GLN CB C 13 28.9 0.5 . 1 . . . . 13 GLN CB . 7262 1
80 . 1 1 13 13 GLN N N 15 121.9 0.5 . 1 . . . . 13 GLN N . 7262 1
81 . 1 1 14 14 ALA H H 1 8.4 0.02 . 1 . . . . 14 ALA H . 7262 1
82 . 1 1 14 14 ALA HA H 1 4.34 0.02 . 1 . . . . 14 ALA HA . 7262 1
83 . 1 1 14 14 ALA HB1 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1
84 . 1 1 14 14 ALA HB2 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1
85 . 1 1 14 14 ALA HB3 H 1 1.38 0.02 . 1 . . . . 14 ALA HB . 7262 1
86 . 1 1 14 14 ALA CA C 13 52 0.5 . 1 . . . . 14 ALA CA . 7262 1
87 . 1 1 14 14 ALA N N 15 125.6 0.5 . 1 . . . . 14 ALA N . 7262 1
88 . 1 1 15 15 GLY H H 1 8.45 0.02 . 1 . . . . 15 GLY H . 7262 1
89 . 1 1 15 15 GLY HA2 H 1 3.97 0.02 . 2 . . . . 15 GLY HA2 . 7262 1
90 . 1 1 15 15 GLY N N 15 107.7 0.5 . 1 . . . . 15 GLY N . 7262 1
91 . 1 1 16 16 CYS H H 1 8.2 0.02 . 1 . . . . 16 CYS H . 7262 1
92 . 1 1 16 16 CYS HA H 1 4.9 0.02 . 1 . . . . 16 CYS HA . 7262 1
93 . 1 1 16 16 CYS HB2 H 1 3.26 0.02 . 2 . . . . 16 CYS HB2 . 7262 1
94 . 1 1 16 16 CYS HB3 H 1 2.85 0.02 . 2 . . . . 16 CYS HB3 . 7262 1
95 . 1 1 16 16 CYS N N 15 118.2 0.5 . 1 . . . . 16 CYS N . 7262 1
96 . 1 1 17 17 PRO HA H 1 4.4 0.02 . 1 . . . . 17 PRO HA . 7262 1
97 . 1 1 17 17 PRO HB2 H 1 2.1 0.02 . 2 . . . . 17 PRO HB2 . 7262 1
98 . 1 1 17 17 PRO HB3 H 1 2.25 0.02 . 2 . . . . 17 PRO HB3 . 7262 1
99 . 1 1 17 17 PRO HG2 H 1 1.99 0.02 . 2 . . . . 17 PRO HG2 . 7262 1
100 . 1 1 17 17 PRO HD2 H 1 3.67 0.02 . 2 . . . . 17 PRO HD2 . 7262 1
101 . 1 1 17 17 PRO HD3 H 1 3.76 0.02 . 2 . . . . 17 PRO HD3 . 7262 1
102 . 1 1 17 17 PRO CA C 13 64.1 0.5 . 1 . . . . 17 PRO CA . 7262 1
103 . 1 1 18 18 GLY H H 1 8.79 0.02 . 1 . . . . 18 GLY H . 7262 1
104 . 1 1 18 18 GLY HA2 H 1 4.06 0.02 . 2 . . . . 18 GLY HA2 . 7262 1
105 . 1 1 18 18 GLY HA3 H 1 3.89 0.02 . 2 . . . . 18 GLY HA3 . 7262 1
106 . 1 1 18 18 GLY CA C 13 45.1 0.5 . 1 . . . . 18 GLY CA . 7262 1
107 . 1 1 18 18 GLY N N 15 112.1 0.5 . 1 . . . . 18 GLY N . 7262 1
108 . 1 1 19 19 GLY H H 1 8.08 0.02 . 1 . . . . 19 GLY H . 7262 1
109 . 1 1 19 19 GLY HA2 H 1 3.79 0.02 . 2 . . . . 19 GLY HA2 . 7262 1
110 . 1 1 19 19 GLY HA3 H 1 4.38 0.02 . 2 . . . . 19 GLY HA3 . 7262 1
111 . 1 1 19 19 GLY CA C 13 43.4 0.5 . 1 . . . . 19 GLY CA . 7262 1
112 . 1 1 19 19 GLY N N 15 109.6 0.5 . 1 . . . . 19 GLY N . 7262 1
113 . 1 1 20 20 CYS H H 1 8.75 0.02 . 1 . . . . 20 CYS H . 7262 1
114 . 1 1 20 20 CYS HA H 1 4.65 0.02 . 1 . . . . 20 CYS HA . 7262 1
115 . 1 1 20 20 CYS HB2 H 1 2.98 0.02 . 2 . . . . 20 CYS HB2 . 7262 1
116 . 1 1 20 20 CYS HB3 H 1 3.36 0.02 . 2 . . . . 20 CYS HB3 . 7262 1
117 . 1 1 20 20 CYS CA C 13 55.1 0.5 . 1 . . . . 20 CYS CA . 7262 1
118 . 1 1 20 20 CYS CB C 13 41.7 0.5 . 1 . . . . 20 CYS CB . 7262 1
119 . 1 1 20 20 CYS N N 15 120.7 0.5 . 1 . . . . 20 CYS N . 7262 1
120 . 1 1 21 21 VAL H H 1 8.4 0.02 . 1 . . . . 21 VAL H . 7262 1
121 . 1 1 21 21 VAL HA H 1 4.1 0.02 . 1 . . . . 21 VAL HA . 7262 1
122 . 1 1 21 21 VAL HB H 1 2.05 0.02 . 1 . . . . 21 VAL HB . 7262 1
123 . 1 1 21 21 VAL HG11 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1
124 . 1 1 21 21 VAL HG12 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1
125 . 1 1 21 21 VAL HG13 H 1 0.92 0.02 . 2 . . . . 21 VAL HG1 . 7262 1
126 . 1 1 21 21 VAL N N 15 121.3 0.5 . 1 . . . . 21 VAL N . 7262 1
127 . 1 1 22 22 GLU H H 1 8.58 0.02 . 1 . . . . 22 GLU H . 7262 1
128 . 1 1 22 22 GLU HA H 1 4.33 0.02 . 1 . . . . 22 GLU HA . 7262 1
129 . 1 1 22 22 GLU HB2 H 1 1.96 0.02 . 2 . . . . 22 GLU HB2 . 7262 1
130 . 1 1 22 22 GLU HB3 H 1 2.06 0.02 . 2 . . . . 22 GLU HB3 . 7262 1
131 . 1 1 22 22 GLU HG2 H 1 2.39 0.02 . 2 . . . . 22 GLU HG2 . 7262 1
132 . 1 1 23 23 GLU H H 1 8.46 0.02 . 1 . . . . 23 GLU H . 7262 1
133 . 1 1 23 23 GLU HA H 1 4.34 0.02 . 1 . . . . 23 GLU HA . 7262 1
134 . 1 1 23 23 GLU HB2 H 1 1.97 0.02 . 2 . . . . 23 GLU HB2 . 7262 1
135 . 1 1 23 23 GLU HB3 H 1 2.08 0.02 . 2 . . . . 23 GLU HB3 . 7262 1
136 . 1 1 23 23 GLU HG2 H 1 2.4 0.02 . 2 . . . . 23 GLU HG2 . 7262 1
137 . 1 1 23 23 GLU N N 15 122 0.5 . 1 . . . . 23 GLU N . 7262 1
138 . 1 1 24 24 GLU H H 1 8.54 0.02 . 1 . . . . 24 GLU H . 7262 1
139 . 1 1 24 24 GLU HA H 1 4.36 0.02 . 1 . . . . 24 GLU HA . 7262 1
140 . 1 1 24 24 GLU HB2 H 1 1.98 0.02 . 2 . . . . 24 GLU HB2 . 7262 1
141 . 1 1 24 24 GLU HB3 H 1 2.1 0.02 . 2 . . . . 24 GLU HB3 . 7262 1
142 . 1 1 24 24 GLU HG2 H 1 2.4 0.02 . 2 . . . . 24 GLU HG2 . 7262 1
143 . 1 1 24 24 GLU N N 15 126.1 0.5 . 1 . . . . 24 GLU N . 7262 1
144 . 1 1 25 25 ASP H H 1 8.54 0.02 . 1 . . . . 25 ASP H . 7262 1
145 . 1 1 25 25 ASP HA H 1 4.67 0.02 . 1 . . . . 25 ASP HA . 7262 1
146 . 1 1 25 25 ASP HB2 H 1 2.8 0.02 . 2 . . . . 25 ASP HB2 . 7262 1
147 . 1 1 25 25 ASP CA C 13 53.5 0.5 . 1 . . . . 25 ASP CA . 7262 1
148 . 1 1 25 25 ASP CB C 13 39.6 0.5 . 1 . . . . 25 ASP CB . 7262 1
149 . 1 1 25 25 ASP N N 15 121 0.5 . 1 . . . . 25 ASP N . 7262 1
150 . 1 1 26 26 GLY H H 1 8.46 0.02 . 1 . . . . 26 GLY H . 7262 1
151 . 1 1 26 26 GLY HA2 H 1 3.97 0.02 . 2 . . . . 26 GLY HA2 . 7262 1
152 . 1 1 26 26 GLY CA C 13 45 0.5 . 1 . . . . 26 GLY CA . 7262 1
153 . 1 1 27 27 GLY H H 1 8.29 0.02 . 1 . . . . 27 GLY H . 7262 1
154 . 1 1 27 27 GLY HA2 H 1 3.98 0.02 . 2 . . . . 27 GLY HA2 . 7262 1
155 . 1 1 27 27 GLY N N 15 108.5 0.5 . 1 . . . . 27 GLY N . 7262 1
156 . 1 1 28 28 SER H H 1 8.24 0.02 . 1 . . . . 28 SER H . 7262 1
157 . 1 1 28 28 SER HA H 1 4.8 0.02 . 1 . . . . 28 SER HA . 7262 1
158 . 1 1 28 28 SER HB2 H 1 3.85 0.02 . 2 . . . . 28 SER HB2 . 7262 1
159 . 1 1 28 28 SER CA C 13 56.2 0.5 . 1 . . . . 28 SER CA . 7262 1
160 . 1 1 28 28 SER CB C 13 63.2 0.5 . 1 . . . . 28 SER CB . 7262 1
161 . 1 1 28 28 SER N N 15 116.7 0.5 . 1 . . . . 28 SER N . 7262 1
162 . 1 1 29 29 PRO HA H 1 4.43 0.02 . 1 . . . . 29 PRO HA . 7262 1
163 . 1 1 29 29 PRO HB2 H 1 2.29 0.02 . 2 . . . . 29 PRO HB2 . 7262 1
164 . 1 1 29 29 PRO HG2 H 1 1.95 0.02 . 2 . . . . 29 PRO HG2 . 7262 1
165 . 1 1 29 29 PRO HD2 H 1 3.71 0.02 . 2 . . . . 29 PRO HD2 . 7262 1
166 . 1 1 29 29 PRO CA C 13 63.3 0.5 . 1 . . . . 29 PRO CA . 7262 1
167 . 1 1 29 29 PRO CB C 13 34 0.5 . 1 . . . . 29 PRO CB . 7262 1
168 . 1 1 30 30 ALA H H 1 8.41 0.02 . 1 . . . . 30 ALA H . 7262 1
169 . 1 1 30 30 ALA HA H 1 4.28 0.02 . 1 . . . . 30 ALA HA . 7262 1
170 . 1 1 30 30 ALA HB1 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1
171 . 1 1 30 30 ALA HB2 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1
172 . 1 1 30 30 ALA HB3 H 1 1.38 0.02 . 1 . . . . 30 ALA HB . 7262 1
173 . 1 1 30 30 ALA CA C 13 52.4 0.5 . 1 . . . . 30 ALA CA . 7262 1
174 . 1 1 30 30 ALA CB C 13 18.9 0.5 . 1 . . . . 30 ALA CB . 7262 1
175 . 1 1 30 30 ALA N N 15 124.1 0.5 . 1 . . . . 30 ALA N . 7262 1
176 . 1 1 31 31 GLU H H 1 8.32 0.02 . 1 . . . . 31 GLU H . 7262 1
177 . 1 1 31 31 GLU HA H 1 4.33 0.02 . 1 . . . . 31 GLU HA . 7262 1
178 . 1 1 31 31 GLU HB2 H 1 1.99 0.02 . 2 . . . . 31 GLU HB2 . 7262 1
179 . 1 1 31 31 GLU HB3 H 1 2.12 0.02 . 2 . . . . 31 GLU HB3 . 7262 1
180 . 1 1 31 31 GLU HG2 H 1 2.41 0.02 . 2 . . . . 31 GLU HG2 . 7262 1
181 . 1 1 32 32 GLY H H 1 8.45 0.02 . 1 . . . . 32 GLY H . 7262 1
182 . 1 1 32 32 GLY HA2 H 1 3.96 0.02 . 2 . . . . 32 GLY HA2 . 7262 1
183 . 1 1 33 33 CYS H H 1 8.32 0.02 . 1 . . . . 33 CYS H . 7262 1
184 . 1 1 33 33 CYS HA H 1 4.65 0.02 . 1 . . . . 33 CYS HA . 7262 1
185 . 1 1 33 33 CYS HB2 H 1 3.12 0.02 . 2 . . . . 33 CYS HB2 . 7262 1
186 . 1 1 33 33 CYS CA C 13 55.3 0.5 . 1 . . . . 33 CYS CA . 7262 1
187 . 1 1 33 33 CYS CB C 13 41.5 0.5 . 1 . . . . 33 CYS CB . 7262 1
188 . 1 1 33 33 CYS N N 15 118.7 0.5 . 1 . . . . 33 CYS N . 7262 1
189 . 1 1 34 34 ALA H H 1 8.77 0.02 . 1 . . . . 34 ALA H . 7262 1
190 . 1 1 34 34 ALA HA H 1 4.39 0.02 . 1 . . . . 34 ALA HA . 7262 1
191 . 1 1 34 34 ALA HB1 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1
192 . 1 1 34 34 ALA HB2 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1
193 . 1 1 34 34 ALA HB3 H 1 1.42 0.02 . 1 . . . . 34 ALA HB . 7262 1
194 . 1 1 34 34 ALA CA C 13 52.6 0.5 . 1 . . . . 34 ALA CA . 7262 1
195 . 1 1 34 34 ALA CB C 13 18.7 0.5 . 1 . . . . 34 ALA CB . 7262 1
196 . 1 1 34 34 ALA N N 15 127.9 0.5 . 1 . . . . 34 ALA N . 7262 1
197 . 1 1 35 35 GLU H H 1 8.05 0.02 . 1 . . . . 35 GLU H . 7262 1
198 . 1 1 35 35 GLU HA H 1 4.32 0.02 . 1 . . . . 35 GLU HA . 7262 1
199 . 1 1 35 35 GLU HB2 H 1 2.01 0.02 . 2 . . . . 35 GLU HB2 . 7262 1
200 . 1 1 35 35 GLU HB3 H 1 2.17 0.02 . 2 . . . . 35 GLU HB3 . 7262 1
201 . 1 1 35 35 GLU HG2 H 1 2.42 0.02 . 2 . . . . 35 GLU HG2 . 7262 1
202 . 1 1 35 35 GLU N N 15 119 0.5 . 1 . . . . 35 GLU N . 7262 1
203 . 1 1 36 36 ALA H H 1 8.61 0.02 . 1 . . . . 36 ALA H . 7262 1
204 . 1 1 36 36 ALA HA H 1 4.17 0.02 . 1 . . . . 36 ALA HA . 7262 1
205 . 1 1 36 36 ALA HB1 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1
206 . 1 1 36 36 ALA HB2 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1
207 . 1 1 36 36 ALA HB3 H 1 1.44 0.02 . 1 . . . . 36 ALA HB . 7262 1
208 . 1 1 36 36 ALA CA C 13 53.8 0.5 . 1 . . . . 36 ALA CA . 7262 1
209 . 1 1 36 36 ALA CB C 13 18.4 0.5 . 1 . . . . 36 ALA CB . 7262 1
210 . 1 1 36 36 ALA N N 15 124.5 0.5 . 1 . . . . 36 ALA N . 7262 1
211 . 1 1 37 37 GLU H H 1 8.28 0.02 . 1 . . . . 37 GLU H . 7262 1
212 . 1 1 37 37 GLU HA H 1 4.33 0.02 . 1 . . . . 37 GLU HA . 7262 1
213 . 1 1 37 37 GLU HB2 H 1 2.07 0.02 . 2 . . . . 37 GLU HB2 . 7262 1
214 . 1 1 37 37 GLU HB3 H 1 2.188 0.02 . 2 . . . . 37 GLU HB3 . 7262 1
215 . 1 1 37 37 GLU HG2 H 1 2.41 0.02 . 2 . . . . 37 GLU HG2 . 7262 1
216 . 1 1 37 37 GLU N N 15 116.2 0.5 . 1 . . . . 37 GLU N . 7262 1
217 . 1 1 38 38 GLY H H 1 8.18 0.02 . 1 . . . . 38 GLY H . 7262 1
218 . 1 1 38 38 GLY HA2 H 1 4.14 0.02 . 2 . . . . 38 GLY HA2 . 7262 1
219 . 1 1 38 38 GLY HA3 H 1 3.83 0.02 . 2 . . . . 38 GLY HA3 . 7262 1
220 . 1 1 38 38 GLY CA C 13 45.1 0.5 . 1 . . . . 38 GLY CA . 7262 1
221 . 1 1 38 38 GLY N N 15 108.4 0.5 . 1 . . . . 38 GLY N . 7262 1
222 . 1 1 39 39 CYS H H 1 8.17 0.02 . 1 . . . . 39 CYS H . 7262 1
223 . 1 1 39 39 CYS HA H 1 4.62 0.02 . 1 . . . . 39 CYS HA . 7262 1
224 . 1 1 39 39 CYS HB2 H 1 3.19 0.02 . 2 . . . . 39 CYS HB2 . 7262 1
225 . 1 1 39 39 CYS HB3 H 1 3.12 0.02 . 2 . . . . 39 CYS HB3 . 7262 1
226 . 1 1 39 39 CYS CA C 13 56.2 0.5 . 1 . . . . 39 CYS CA . 7262 1
227 . 1 1 39 39 CYS CB C 13 41.4 0.5 . 1 . . . . 39 CYS CB . 7262 1
228 . 1 1 39 39 CYS N N 15 117.8 0.5 . 1 . . . . 39 CYS N . 7262 1
229 . 1 1 40 40 LEU H H 1 8.37 0.02 . 1 . . . . 40 LEU H . 7262 1
230 . 1 1 40 40 LEU HA H 1 4.34 0.02 . 1 . . . . 40 LEU HA . 7262 1
231 . 1 1 40 40 LEU HB2 H 1 1.63 0.02 . 2 . . . . 40 LEU HB2 . 7262 1
232 . 1 1 40 40 LEU HD11 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1
233 . 1 1 40 40 LEU HD12 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1
234 . 1 1 40 40 LEU HD13 H 1 0.85 0.02 . 2 . . . . 40 LEU HD1 . 7262 1
235 . 1 1 40 40 LEU HD21 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1
236 . 1 1 40 40 LEU HD22 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1
237 . 1 1 40 40 LEU HD23 H 1 0.91 0.02 . 2 . . . . 40 LEU HD2 . 7262 1
238 . 1 1 40 40 LEU N N 15 124.3 0.5 . 1 . . . . 40 LEU N . 7262 1
239 . 1 1 41 41 ARG H H 1 8.36 0.02 . 1 . . . . 41 ARG H . 7262 1
240 . 1 1 41 41 ARG HA H 1 4.35 0.02 . 1 . . . . 41 ARG HA . 7262 1
241 . 1 1 41 41 ARG HB2 H 1 1.82 0.02 . 2 . . . . 41 ARG HB2 . 7262 1
242 . 1 1 41 41 ARG HB3 H 1 1.75 0.02 . 2 . . . . 41 ARG HB3 . 7262 1
243 . 1 1 41 41 ARG HG2 H 1 1.63 0.02 . 2 . . . . 41 ARG HG2 . 7262 1
244 . 1 1 41 41 ARG HD2 H 1 3.19 0.02 . 2 . . . . 41 ARG HD2 . 7262 1
245 . 1 1 41 41 ARG HE H 1 7.28 0.02 . 1 . . . . 41 ARG HE . 7262 1
246 . 1 1 41 41 ARG N N 15 122.5 0.5 . 1 . . . . 41 ARG N . 7262 1
247 . 1 1 42 42 ARG H H 1 8.47 0.02 . 1 . . . . 42 ARG H . 7262 1
248 . 1 1 42 42 ARG HA H 1 4.34 0.02 . 1 . . . . 42 ARG HA . 7262 1
249 . 1 1 42 42 ARG HB2 H 1 1.83 0.02 . 2 . . . . 42 ARG HB2 . 7262 1
250 . 1 1 42 42 ARG HB3 H 1 1.74 0.02 . 2 . . . . 42 ARG HB3 . 7262 1
251 . 1 1 42 42 ARG HG2 H 1 1.64 0.02 . 2 . . . . 42 ARG HG2 . 7262 1
252 . 1 1 42 42 ARG HD2 H 1 3.19 0.02 . 2 . . . . 42 ARG HD2 . 7262 1
253 . 1 1 42 42 ARG HE H 1 7.24 0.02 . 1 . . . . 42 ARG HE . 7262 1
254 . 1 1 42 42 ARG N N 15 123.3 0.5 . 1 . . . . 42 ARG N . 7262 1
255 . 1 1 43 43 GLU H H 1 8.57 0.02 . 1 . . . . 43 GLU H . 7262 1
256 . 1 1 43 43 GLU HA H 1 4.33 0.02 . 1 . . . . 43 GLU HA . 7262 1
257 . 1 1 43 43 GLU HB2 H 1 1.99 0.02 . 2 . . . . 43 GLU HB2 . 7262 1
258 . 1 1 43 43 GLU HB3 H 1 2.09 0.02 . 2 . . . . 43 GLU HB3 . 7262 1
259 . 1 1 43 43 GLU HG2 H 1 2.39 0.02 . 2 . . . . 43 GLU HG2 . 7262 1
260 . 1 1 44 44 GLY H H 1 8.59 0.02 . 1 . . . . 44 GLY H . 7262 1
261 . 1 1 44 44 GLY HA2 H 1 4.01 0.02 . 2 . . . . 44 GLY HA2 . 7262 1
262 . 1 1 44 44 GLY HA3 H 1 3.9 0.02 . 2 . . . . 44 GLY HA3 . 7262 1
263 . 1 1 44 44 GLY N N 15 111.1 0.5 . 1 . . . . 44 GLY N . 7262 1
264 . 1 1 45 45 GLN H H 1 7.95 0.02 . 1 . . . . 45 GLN H . 7262 1
265 . 1 1 45 45 GLN HA H 1 4.21 0.02 . 1 . . . . 45 GLN HA . 7262 1
266 . 1 1 45 45 GLN HB2 H 1 2.14 0.02 . 2 . . . . 45 GLN HB2 . 7262 1
267 . 1 1 45 45 GLN HB3 H 1 1.94 0.02 . 2 . . . . 45 GLN HB3 . 7262 1
268 . 1 1 45 45 GLN HG2 H 1 2.28 0.02 . 2 . . . . 45 GLN HG2 . 7262 1
269 . 1 1 45 45 GLN CA C 13 56.7 0.5 . 1 . . . . 45 GLN CA . 7262 1
270 . 1 1 45 45 GLN CB C 13 30.1 0.5 . 1 . . . . 45 GLN CB . 7262 1
271 . 1 1 45 45 GLN N N 15 124.4 0.5 . 1 . . . . 45 GLN N . 7262 1
stop_
save_
########################
# Coupling constants #
########################
save_J_coupling_list_1
_Coupling_constant_list.Sf_category coupling_constants
_Coupling_constant_list.Sf_framecode J_coupling_list_1
_Coupling_constant_list.Entry_ID 7262
_Coupling_constant_list.ID 1
_Coupling_constant_list.Sample_condition_list_ID 1
_Coupling_constant_list.Sample_condition_list_label $conditions_1
_Coupling_constant_list.Spectrometer_frequency_1H 600
_Coupling_constant_list.Details .
_Coupling_constant_list.Text_data_format .
_Coupling_constant_list.Text_data .
loop_
_Coupling_constant_experiment.Experiment_ID
_Coupling_constant_experiment.Experiment_name
_Coupling_constant_experiment.Sample_ID
_Coupling_constant_experiment.Sample_label
_Coupling_constant_experiment.Sample_state
_Coupling_constant_experiment.Entry_ID
_Coupling_constant_experiment.Coupling_constant_list_ID
3 '2D 1H-1H DQF-COSY' 1 $sample_1 isotropic 7262 1
stop_
loop_
_Coupling_constant_software.Software_ID
_Coupling_constant_software.Software_label
_Coupling_constant_software.Method_ID
_Coupling_constant_software.Method_label
_Coupling_constant_software.Entry_ID
_Coupling_constant_software.Coupling_constant_list_ID
1 $software_1 . . 7262 1
stop_
loop_
_Coupling_constant.ID
_Coupling_constant.Code
_Coupling_constant.Assembly_atom_ID_1
_Coupling_constant.Entity_assembly_ID_1
_Coupling_constant.Entity_ID_1
_Coupling_constant.Comp_index_ID_1
_Coupling_constant.Seq_ID_1
_Coupling_constant.Comp_ID_1
_Coupling_constant.Atom_ID_1
_Coupling_constant.Atom_type_1
_Coupling_constant.Atom_isotope_number_1
_Coupling_constant.Ambiguity_code_1
_Coupling_constant.Assembly_atom_ID_2
_Coupling_constant.Entity_assembly_ID_2
_Coupling_constant.Entity_ID_2
_Coupling_constant.Comp_index_ID_2
_Coupling_constant.Seq_ID_2
_Coupling_constant.Comp_ID_2
_Coupling_constant.Atom_ID_2
_Coupling_constant.Atom_type_2
_Coupling_constant.Atom_isotope_number_2
_Coupling_constant.Ambiguity_code_2
_Coupling_constant.Val
_Coupling_constant.Val_min
_Coupling_constant.Val_max
_Coupling_constant.Val_err
_Coupling_constant.Resonance_ID_1
_Coupling_constant.Resonance_ID_2
_Coupling_constant.Auth_entity_assembly_ID_1
_Coupling_constant.Auth_seq_ID_1
_Coupling_constant.Auth_comp_ID_1
_Coupling_constant.Auth_atom_ID_1
_Coupling_constant.Auth_entity_assembly_ID_2
_Coupling_constant.Auth_seq_ID_2
_Coupling_constant.Auth_comp_ID_2
_Coupling_constant.Auth_atom_ID_2
_Coupling_constant.Details
_Coupling_constant.Entry_ID
_Coupling_constant.Coupling_constant_list_ID
1 3JHNHA . 1 1 5 5 CYS H H 1 . . 1 1 5 5 CYS HA H 1 . 9.8 . . 0.1 . . . . . . . . . . . 7262 1
2 3JHNHA . 1 1 8 8 CYS H H 1 . . 1 1 8 8 CYS HA H 1 . 8.1 . . 0.1 . . . . . . . . . . . 7262 1
3 3JHNHA . 1 1 12 12 VAL H H 1 . . 1 1 12 12 VAL HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 7262 1
4 3JHNHA . 1 1 16 16 CYS H H 1 . . 1 1 16 16 CYS HA H 1 . 10.0 . . 0.1 . . . . . . . . . . . 7262 1
5 3JHNHA . 1 1 20 20 CYS H H 1 . . 1 1 20 20 CYS HA H 1 . 9.35 . . 0.1 . . . . . . . . . . . 7262 1
6 3JHNHA . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL HA H 1 . 9.5 . . 0.1 . . . . . . . . . . . 7262 1
7 3JHNHA . 1 1 25 25 ASP H H 1 . . 1 1 25 25 ASP HA H 1 . 9.2 . . 0.1 . . . . . . . . . . . 7262 1
8 3JHNHA . 1 1 28 28 SER H H 1 . . 1 1 28 28 SER HA H 1 . 9.2 . . 0.1 . . . . . . . . . . . 7262 1
9 3JHNHA . 1 1 33 33 CYS H H 1 . . 1 1 33 33 CYS HA H 1 . 8.7 . . 0.1 . . . . . . . . . . . 7262 1
10 3JHNHA . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 7262 1
11 3JHNHA . 1 1 35 35 GLU H H 1 . . 1 1 35 35 GLU HA H 1 . 8.9 . . 0.1 . . . . . . . . . . . 7262 1
12 3JHNHA . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA HA H 1 . 10.0 . . 0.1 . . . . . . . . . . . 7262 1
13 3JHNHA . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU HA H 1 . 7.7 . . 0.1 . . . . . . . . . . . 7262 1
14 3JHNHA . 1 1 39 39 CYS H H 1 . . 1 1 39 39 CYS HA H 1 . 8.5 . . 0.1 . . . . . . . . . . . 7262 1
15 3JHNHA . 1 1 45 45 GLN H H 1 . . 1 1 45 45 GLN HA H 1 . 8.6 . . 0.1 . . . . . . . . . . . 7262 1
stop_
save_