data_25419
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 25419
_Entry.Title
;
NMR solution structure of -TRTX-Tp1a from the tarantula Thrixopelma pruriens
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2015-01-08
_Entry.Accession_date 2015-01-08
_Entry.Last_release_date 2015-06-01
_Entry.Original_release_date 2015-06-01
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.97
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_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 'K. Johan' Rosengren . . . . 25419
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 25419
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'cystine knot' . 25419
'sodium channel inhibitor' . 25419
'spider toxin' . 25419
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 25419
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 225 25419
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 . . 2016-02-18 2015-01-08 update BMRB 'update entry citation' 25419
1 . . 2015-06-01 2015-01-08 original author 'original release' 25419
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2MXM 'BMRB Entry Tracking System' 25419
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 25419
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 25979003
_Citation.Full_citation .
_Citation.Title
;
Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], A New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma Pruriens
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Mol. Pharmacol.'
_Citation.Journal_name_full .
_Citation.Journal_volume 88
_Citation.Journal_issue 2
_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 291
_Citation.Page_last 303
_Citation.Year 2015
_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 Fernanda Cardoso . C. . . 25419 1
2 Zoltan Dekan . . . . 25419 1
3 'K. Johan' Rosengren . . . . 25419 1
4 Andelain Erickson . . . . 25419 1
5 Irina Vetter . . . . 25419 1
6 Jennifer Deuis . . . . 25419 1
7 Volker Herzig . . . . 25419 1
8 Paul Alewood . F. . . 25419 1
9 Glenn King . F. . . 25419 1
10 Richard Lewis . J. . . 25419 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 25419
_Assembly.ID 1
_Assembly.Name 'TRTX-Tp1a from the tarantula Thrixopelma pruriens'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_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 .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
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 entity 1 $entity A . yes native no no . . . 25419 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 25419
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
DCLKFGWKCNPRNDKCCSGL
KCGSNHNWCKLHL
;
_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 33
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state .
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 3817.504
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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 . ASP . 25419 1
2 . CYS . 25419 1
3 . LEU . 25419 1
4 . LYS . 25419 1
5 . PHE . 25419 1
6 . GLY . 25419 1
7 . TRP . 25419 1
8 . LYS . 25419 1
9 . CYS . 25419 1
10 . ASN . 25419 1
11 . PRO . 25419 1
12 . ARG . 25419 1
13 . ASN . 25419 1
14 . ASP . 25419 1
15 . LYS . 25419 1
16 . CYS . 25419 1
17 . CYS . 25419 1
18 . SER . 25419 1
19 . GLY . 25419 1
20 . LEU . 25419 1
21 . LYS . 25419 1
22 . CYS . 25419 1
23 . GLY . 25419 1
24 . SER . 25419 1
25 . ASN . 25419 1
26 . HIS . 25419 1
27 . ASN . 25419 1
28 . TRP . 25419 1
29 . CYS . 25419 1
30 . LYS . 25419 1
31 . LEU . 25419 1
32 . HIS . 25419 1
33 . LEU . 25419 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
. ASP 1 1 25419 1
. CYS 2 2 25419 1
. LEU 3 3 25419 1
. LYS 4 4 25419 1
. PHE 5 5 25419 1
. GLY 6 6 25419 1
. TRP 7 7 25419 1
. LYS 8 8 25419 1
. CYS 9 9 25419 1
. ASN 10 10 25419 1
. PRO 11 11 25419 1
. ARG 12 12 25419 1
. ASN 13 13 25419 1
. ASP 14 14 25419 1
. LYS 15 15 25419 1
. CYS 16 16 25419 1
. CYS 17 17 25419 1
. SER 18 18 25419 1
. GLY 19 19 25419 1
. LEU 20 20 25419 1
. LYS 21 21 25419 1
. CYS 22 22 25419 1
. GLY 23 23 25419 1
. SER 24 24 25419 1
. ASN 25 25 25419 1
. HIS 26 26 25419 1
. ASN 27 27 25419 1
. TRP 28 28 25419 1
. CYS 29 29 25419 1
. LYS 30 30 25419 1
. LEU 31 31 25419 1
. HIS 32 32 25419 1
. LEU 33 33 25419 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 25419
_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 $entity . 213387 organism . 'Thrixopelma pruriens' 'green velvet' . . Eukaryota Metazoa Thrixopelma pruriens . . . . . . . . . . . . . 25419 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 25419
_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 $entity . 'chemical synthesis' . . . . . . . . . . . . . . . . 25419 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 25419
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_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 entity 'natural abundance' . . 1 $entity . . 0.4 . . mg/mL . . . . 25419 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 25419
_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' 0 . M 25419 1
pH 3.5 . pH 25419 1
pressure 1 . atm 25419 1
temperature 298 . K 25419 1
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID 25419
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 25419 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 25419 1
processing 25419 1
stop_
save_
save_CARA
_Software.Sf_category software
_Software.Sf_framecode CARA
_Software.Entry_ID 25419
_Software.ID 2
_Software.Name CARA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Keller and Wuthrich' . . 25419 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 25419 2
'peak picking' 25419 2
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 25419
_Software.ID 3
_Software.Name CYANA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 25419 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 25419 3
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 25419
_Software.ID 4
_Software.Name CNS
_Software.Version 1.2
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 25419 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 25419 4
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 25419
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details 'Equipped with cryoprobe'
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 25419
_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 spectrometer_1 Bruker AVANCE . 600 'Equipped with cryoprobe' . . 25419 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 25419
_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 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25419 1
2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25419 1
3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25419 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 25419
_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
H 1 water protons . . . . ppm 4.768 internal direct 0 . . . . . . . . . 25419 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25419
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-1H TOCSY' . . . 25419 1
2 '2D 1H-1H NOESY' . . . 25419 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
2 $CARA . . 25419 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 ASP HA H 1 4.262 0.002 . . . . . A 1 ASP HA . 25419 1
2 . 1 1 1 1 ASP HB2 H 1 2.672 0.002 . . . . . A 1 ASP HB2 . 25419 1
3 . 1 1 1 1 ASP HB3 H 1 2.834 0.002 . . . . . A 1 ASP HB3 . 25419 1
4 . 1 1 2 2 CYS H H 1 8.525 0.002 . . . . . A 2 CYS H . 25419 1
5 . 1 1 2 2 CYS HA H 1 4.873 0.002 . . . . . A 2 CYS HA . 25419 1
6 . 1 1 2 2 CYS HB2 H 1 3.069 0.002 . . . . . A 2 CYS HB2 . 25419 1
7 . 1 1 2 2 CYS HB3 H 1 3.152 0.002 . . . . . A 2 CYS HB3 . 25419 1
8 . 1 1 3 3 LEU H H 1 8.461 0.002 . . . . . A 3 LEU H . 25419 1
9 . 1 1 3 3 LEU HA H 1 4.224 0.002 . . . . . A 3 LEU HA . 25419 1
10 . 1 1 3 3 LEU HB2 H 1 1.471 0.002 . . . . . A 3 LEU HB2 . 25419 1
11 . 1 1 3 3 LEU HB3 H 1 1.789 0.002 . . . . . A 3 LEU HB3 . 25419 1
12 . 1 1 3 3 LEU HG H 1 1.559 0.002 . . . . . A 3 LEU HG . 25419 1
13 . 1 1 3 3 LEU HD11 H 1 1.042 0.002 . . . . . A 3 LEU HD11 . 25419 1
14 . 1 1 3 3 LEU HD12 H 1 1.042 0.002 . . . . . A 3 LEU HD12 . 25419 1
15 . 1 1 3 3 LEU HD13 H 1 1.042 0.002 . . . . . A 3 LEU HD13 . 25419 1
16 . 1 1 3 3 LEU HD21 H 1 1.010 0.002 . . . . . A 3 LEU HD21 . 25419 1
17 . 1 1 3 3 LEU HD22 H 1 1.010 0.002 . . . . . A 3 LEU HD22 . 25419 1
18 . 1 1 3 3 LEU HD23 H 1 1.010 0.002 . . . . . A 3 LEU HD23 . 25419 1
19 . 1 1 4 4 LYS H H 1 5.315 0.002 . . . . . A 4 LYS H . 25419 1
20 . 1 1 4 4 LYS HA H 1 3.644 0.002 . . . . . A 4 LYS HA . 25419 1
21 . 1 1 4 4 LYS HB2 H 1 0.064 0.002 . . . . . A 4 LYS HB2 . 25419 1
22 . 1 1 4 4 LYS HB3 H 1 1.502 0.002 . . . . . A 4 LYS HB3 . 25419 1
23 . 1 1 4 4 LYS HG2 H 1 0.714 0.002 . . . . . A 4 LYS HG2 . 25419 1
24 . 1 1 4 4 LYS HG3 H 1 0.714 0.002 . . . . . A 4 LYS HG3 . 25419 1
25 . 1 1 4 4 LYS HD2 H 1 1.342 0.002 . . . . . A 4 LYS HD2 . 25419 1
26 . 1 1 4 4 LYS HD3 H 1 1.342 0.002 . . . . . A 4 LYS HD3 . 25419 1
27 . 1 1 4 4 LYS HE2 H 1 2.815 0.002 . . . . . A 4 LYS HE2 . 25419 1
28 . 1 1 4 4 LYS HE3 H 1 2.815 0.002 . . . . . A 4 LYS HE3 . 25419 1
29 . 1 1 5 5 PHE H H 1 8.145 0.002 . . . . . A 5 PHE H . 25419 1
30 . 1 1 5 5 PHE HA H 1 3.669 0.002 . . . . . A 5 PHE HA . 25419 1
31 . 1 1 5 5 PHE HB2 H 1 2.723 0.002 . . . . . A 5 PHE HB2 . 25419 1
32 . 1 1 5 5 PHE HB3 H 1 2.979 0.002 . . . . . A 5 PHE HB3 . 25419 1
33 . 1 1 5 5 PHE HD1 H 1 7.031 0.002 . . . . . A 5 PHE HD1 . 25419 1
34 . 1 1 5 5 PHE HD2 H 1 7.031 0.002 . . . . . A 5 PHE HD2 . 25419 1
35 . 1 1 5 5 PHE HE1 H 1 7.374 0.002 . . . . . A 5 PHE HE1 . 25419 1
36 . 1 1 5 5 PHE HE2 H 1 7.374 0.002 . . . . . A 5 PHE HE2 . 25419 1
37 . 1 1 5 5 PHE HZ H 1 7.331 0.002 . . . . . A 5 PHE HZ . 25419 1
38 . 1 1 6 6 GLY H H 1 8.767 0.002 . . . . . A 6 GLY H . 25419 1
39 . 1 1 6 6 GLY HA2 H 1 3.807 0.002 . . . . . A 6 GLY HA2 . 25419 1
40 . 1 1 6 6 GLY HA3 H 1 2.937 0.002 . . . . . A 6 GLY HA3 . 25419 1
41 . 1 1 7 7 TRP H H 1 8.312 0.002 . . . . . A 7 TRP H . 25419 1
42 . 1 1 7 7 TRP HA H 1 4.573 0.002 . . . . . A 7 TRP HA . 25419 1
43 . 1 1 7 7 TRP HB2 H 1 3.239 0.002 . . . . . A 7 TRP HB2 . 25419 1
44 . 1 1 7 7 TRP HB3 H 1 3.354 0.002 . . . . . A 7 TRP HB3 . 25419 1
45 . 1 1 7 7 TRP HD1 H 1 6.991 0.002 . . . . . A 7 TRP HD1 . 25419 1
46 . 1 1 7 7 TRP HE1 H 1 10.261 0.002 . . . . . A 7 TRP HE1 . 25419 1
47 . 1 1 7 7 TRP HE3 H 1 7.687 0.002 . . . . . A 7 TRP HE3 . 25419 1
48 . 1 1 7 7 TRP HZ2 H 1 7.517 0.002 . . . . . A 7 TRP HZ2 . 25419 1
49 . 1 1 7 7 TRP HZ3 H 1 7.251 0.002 . . . . . A 7 TRP HZ3 . 25419 1
50 . 1 1 7 7 TRP HH2 H 1 7.286 0.002 . . . . . A 7 TRP HH2 . 25419 1
51 . 1 1 8 8 LYS H H 1 8.354 0.002 . . . . . A 8 LYS H . 25419 1
52 . 1 1 8 8 LYS HA H 1 4.556 0.002 . . . . . A 8 LYS HA . 25419 1
53 . 1 1 8 8 LYS HB2 H 1 1.510 0.002 . . . . . A 8 LYS HB2 . 25419 1
54 . 1 1 8 8 LYS HB3 H 1 1.750 0.002 . . . . . A 8 LYS HB3 . 25419 1
55 . 1 1 8 8 LYS HG2 H 1 1.385 0.002 . . . . . A 8 LYS HG2 . 25419 1
56 . 1 1 8 8 LYS HG3 H 1 1.385 0.002 . . . . . A 8 LYS HG3 . 25419 1
57 . 1 1 8 8 LYS HD2 H 1 1.636 0.002 . . . . . A 8 LYS HD2 . 25419 1
58 . 1 1 8 8 LYS HD3 H 1 1.636 0.002 . . . . . A 8 LYS HD3 . 25419 1
59 . 1 1 8 8 LYS HE2 H 1 2.931 0.002 . . . . . A 8 LYS HE2 . 25419 1
60 . 1 1 8 8 LYS HE3 H 1 2.931 0.002 . . . . . A 8 LYS HE3 . 25419 1
61 . 1 1 9 9 CYS H H 1 8.173 0.002 . . . . . A 9 CYS H . 25419 1
62 . 1 1 9 9 CYS HA H 1 4.803 0.002 . . . . . A 9 CYS HA . 25419 1
63 . 1 1 9 9 CYS HB2 H 1 2.946 0.002 . . . . . A 9 CYS HB2 . 25419 1
64 . 1 1 9 9 CYS HB3 H 1 3.006 0.002 . . . . . A 9 CYS HB3 . 25419 1
65 . 1 1 10 10 ASN H H 1 9.087 0.002 . . . . . A 10 ASN H . 25419 1
66 . 1 1 10 10 ASN HA H 1 5.069 0.002 . . . . . A 10 ASN HA . 25419 1
67 . 1 1 10 10 ASN HB2 H 1 2.660 0.002 . . . . . A 10 ASN HB2 . 25419 1
68 . 1 1 10 10 ASN HB3 H 1 2.931 0.002 . . . . . A 10 ASN HB3 . 25419 1
69 . 1 1 10 10 ASN HD21 H 1 7.044 0.002 . . . . . A 10 ASN HD21 . 25419 1
70 . 1 1 10 10 ASN HD22 H 1 7.687 0.002 . . . . . A 10 ASN HD22 . 25419 1
71 . 1 1 11 11 PRO HA H 1 3.827 0.002 . . . . . A 11 PRO HA . 25419 1
72 . 1 1 11 11 PRO HB2 H 1 1.946 0.002 . . . . . A 11 PRO HB2 . 25419 1
73 . 1 1 11 11 PRO HB3 H 1 1.859 0.002 . . . . . A 11 PRO HB3 . 25419 1
74 . 1 1 11 11 PRO HG2 H 1 1.831 0.002 . . . . . A 11 PRO HG2 . 25419 1
75 . 1 1 11 11 PRO HG3 H 1 1.866 0.002 . . . . . A 11 PRO HG3 . 25419 1
76 . 1 1 11 11 PRO HD2 H 1 3.521 0.002 . . . . . A 11 PRO HD2 . 25419 1
77 . 1 1 11 11 PRO HD3 H 1 3.850 0.002 . . . . . A 11 PRO HD3 . 25419 1
78 . 1 1 12 12 ARG H H 1 7.640 0.002 . . . . . A 12 ARG H . 25419 1
79 . 1 1 12 12 ARG HA H 1 4.145 0.002 . . . . . A 12 ARG HA . 25419 1
80 . 1 1 12 12 ARG HB2 H 1 1.571 0.002 . . . . . A 12 ARG HB2 . 25419 1
81 . 1 1 12 12 ARG HB3 H 1 1.845 0.002 . . . . . A 12 ARG HB3 . 25419 1
82 . 1 1 12 12 ARG HG2 H 1 1.522 0.002 . . . . . A 12 ARG HG2 . 25419 1
83 . 1 1 12 12 ARG HG3 H 1 1.542 0.002 . . . . . A 12 ARG HG3 . 25419 1
84 . 1 1 12 12 ARG HD2 H 1 3.113 0.002 . . . . . A 12 ARG HD2 . 25419 1
85 . 1 1 12 12 ARG HD3 H 1 3.113 0.002 . . . . . A 12 ARG HD3 . 25419 1
86 . 1 1 12 12 ARG HE H 1 7.147 0.002 . . . . . A 12 ARG HE . 25419 1
87 . 1 1 13 13 ASN H H 1 7.325 0.002 . . . . . A 13 ASN H . 25419 1
88 . 1 1 13 13 ASN HA H 1 4.550 0.002 . . . . . A 13 ASN HA . 25419 1
89 . 1 1 13 13 ASN HB2 H 1 2.479 0.002 . . . . . A 13 ASN HB2 . 25419 1
90 . 1 1 13 13 ASN HB3 H 1 2.572 0.002 . . . . . A 13 ASN HB3 . 25419 1
91 . 1 1 13 13 ASN HD21 H 1 6.728 0.002 . . . . . A 13 ASN HD21 . 25419 1
92 . 1 1 13 13 ASN HD22 H 1 7.364 0.002 . . . . . A 13 ASN HD22 . 25419 1
93 . 1 1 14 14 ASP H H 1 8.572 0.002 . . . . . A 14 ASP H . 25419 1
94 . 1 1 14 14 ASP HA H 1 4.141 0.002 . . . . . A 14 ASP HA . 25419 1
95 . 1 1 14 14 ASP HB2 H 1 2.364 0.002 . . . . . A 14 ASP HB2 . 25419 1
96 . 1 1 14 14 ASP HB3 H 1 2.937 0.002 . . . . . A 14 ASP HB3 . 25419 1
97 . 1 1 15 15 LYS H H 1 7.978 0.002 . . . . . A 15 LYS H . 25419 1
98 . 1 1 15 15 LYS HA H 1 4.613 0.002 . . . . . A 15 LYS HA . 25419 1
99 . 1 1 15 15 LYS HB2 H 1 1.554 0.002 . . . . . A 15 LYS HB2 . 25419 1
100 . 1 1 15 15 LYS HB3 H 1 2.300 0.002 . . . . . A 15 LYS HB3 . 25419 1
101 . 1 1 15 15 LYS HG2 H 1 1.320 0.002 . . . . . A 15 LYS HG2 . 25419 1
102 . 1 1 15 15 LYS HG3 H 1 1.320 0.002 . . . . . A 15 LYS HG3 . 25419 1
103 . 1 1 15 15 LYS HD2 H 1 1.439 0.002 . . . . . A 15 LYS HD2 . 25419 1
104 . 1 1 15 15 LYS HD3 H 1 1.439 0.002 . . . . . A 15 LYS HD3 . 25419 1
105 . 1 1 15 15 LYS HE2 H 1 2.815 0.002 . . . . . A 15 LYS HE2 . 25419 1
106 . 1 1 15 15 LYS HE3 H 1 2.815 0.002 . . . . . A 15 LYS HE3 . 25419 1
107 . 1 1 15 15 LYS HZ1 H 1 7.389 0.002 . . . . . A 15 LYS HZ1 . 25419 1
108 . 1 1 15 15 LYS HZ2 H 1 7.389 0.002 . . . . . A 15 LYS HZ2 . 25419 1
109 . 1 1 15 15 LYS HZ3 H 1 7.389 0.002 . . . . . A 15 LYS HZ3 . 25419 1
110 . 1 1 16 16 CYS H H 1 9.266 0.002 . . . . . A 16 CYS H . 25419 1
111 . 1 1 16 16 CYS HA H 1 4.812 0.002 . . . . . A 16 CYS HA . 25419 1
112 . 1 1 16 16 CYS HB2 H 1 2.770 0.002 . . . . . A 16 CYS HB2 . 25419 1
113 . 1 1 16 16 CYS HB3 H 1 2.815 0.002 . . . . . A 16 CYS HB3 . 25419 1
114 . 1 1 17 17 CYS H H 1 9.389 0.002 . . . . . A 17 CYS H . 25419 1
115 . 1 1 17 17 CYS HA H 1 4.343 0.002 . . . . . A 17 CYS HA . 25419 1
116 . 1 1 17 17 CYS HB2 H 1 2.469 0.002 . . . . . A 17 CYS HB2 . 25419 1
117 . 1 1 17 17 CYS HB3 H 1 3.292 0.002 . . . . . A 17 CYS HB3 . 25419 1
118 . 1 1 18 18 SER H H 1 8.154 0.002 . . . . . A 18 SER H . 25419 1
119 . 1 1 18 18 SER HA H 1 4.162 0.002 . . . . . A 18 SER HA . 25419 1
120 . 1 1 18 18 SER HB2 H 1 3.758 0.002 . . . . . A 18 SER HB2 . 25419 1
121 . 1 1 18 18 SER HB3 H 1 3.758 0.002 . . . . . A 18 SER HB3 . 25419 1
122 . 1 1 19 19 GLY H H 1 8.800 0.002 . . . . . A 19 GLY H . 25419 1
123 . 1 1 19 19 GLY HA2 H 1 4.274 0.002 . . . . . A 19 GLY HA2 . 25419 1
124 . 1 1 19 19 GLY HA3 H 1 3.595 0.002 . . . . . A 19 GLY HA3 . 25419 1
125 . 1 1 20 20 LEU H H 1 8.238 0.002 . . . . . A 20 LEU H . 25419 1
126 . 1 1 20 20 LEU HA H 1 5.241 0.002 . . . . . A 20 LEU HA . 25419 1
127 . 1 1 20 20 LEU HB2 H 1 1.335 0.002 . . . . . A 20 LEU HB2 . 25419 1
128 . 1 1 20 20 LEU HB3 H 1 2.215 0.002 . . . . . A 20 LEU HB3 . 25419 1
129 . 1 1 20 20 LEU HG H 1 1.090 0.002 . . . . . A 20 LEU HG . 25419 1
130 . 1 1 20 20 LEU HD11 H 1 0.809 0.002 . . . . . A 20 LEU HD11 . 25419 1
131 . 1 1 20 20 LEU HD12 H 1 0.809 0.002 . . . . . A 20 LEU HD12 . 25419 1
132 . 1 1 20 20 LEU HD13 H 1 0.809 0.002 . . . . . A 20 LEU HD13 . 25419 1
133 . 1 1 20 20 LEU HD21 H 1 0.751 0.002 . . . . . A 20 LEU HD21 . 25419 1
134 . 1 1 20 20 LEU HD22 H 1 0.751 0.002 . . . . . A 20 LEU HD22 . 25419 1
135 . 1 1 20 20 LEU HD23 H 1 0.751 0.002 . . . . . A 20 LEU HD23 . 25419 1
136 . 1 1 21 21 LYS H H 1 9.074 0.002 . . . . . A 21 LYS H . 25419 1
137 . 1 1 21 21 LYS HA H 1 4.458 0.002 . . . . . A 21 LYS HA . 25419 1
138 . 1 1 21 21 LYS HB2 H 1 1.389 0.002 . . . . . A 21 LYS HB2 . 25419 1
139 . 1 1 21 21 LYS HB3 H 1 1.434 0.002 . . . . . A 21 LYS HB3 . 25419 1
140 . 1 1 21 21 LYS HG2 H 1 1.212 0.002 . . . . . A 21 LYS HG2 . 25419 1
141 . 1 1 21 21 LYS HG3 H 1 1.212 0.002 . . . . . A 21 LYS HG3 . 25419 1
142 . 1 1 21 21 LYS HD2 H 1 1.306 0.002 . . . . . A 21 LYS HD2 . 25419 1
143 . 1 1 21 21 LYS HD3 H 1 1.306 0.002 . . . . . A 21 LYS HD3 . 25419 1
144 . 1 1 21 21 LYS HE2 H 1 2.830 0.002 . . . . . A 21 LYS HE2 . 25419 1
145 . 1 1 21 21 LYS HE3 H 1 2.830 0.002 . . . . . A 21 LYS HE3 . 25419 1
146 . 1 1 22 22 CYS H H 1 10.197 0.002 . . . . . A 22 CYS H . 25419 1
147 . 1 1 22 22 CYS HA H 1 4.470 0.002 . . . . . A 22 CYS HA . 25419 1
148 . 1 1 22 22 CYS HB2 H 1 2.509 0.002 . . . . . A 22 CYS HB2 . 25419 1
149 . 1 1 22 22 CYS HB3 H 1 3.052 0.002 . . . . . A 22 CYS HB3 . 25419 1
150 . 1 1 23 23 GLY H H 1 8.304 0.002 . . . . . A 23 GLY H . 25419 1
151 . 1 1 23 23 GLY HA2 H 1 4.039 0.002 . . . . . A 23 GLY HA2 . 25419 1
152 . 1 1 23 23 GLY HA3 H 1 3.952 0.002 . . . . . A 23 GLY HA3 . 25419 1
153 . 1 1 24 24 SER H H 1 8.423 0.002 . . . . . A 24 SER H . 25419 1
154 . 1 1 24 24 SER HA H 1 4.043 0.002 . . . . . A 24 SER HA . 25419 1
155 . 1 1 24 24 SER HB2 H 1 3.788 0.002 . . . . . A 24 SER HB2 . 25419 1
156 . 1 1 24 24 SER HB3 H 1 3.870 0.002 . . . . . A 24 SER HB3 . 25419 1
157 . 1 1 25 25 ASN H H 1 8.302 0.002 . . . . . A 25 ASN H . 25419 1
158 . 1 1 25 25 ASN HA H 1 4.435 0.002 . . . . . A 25 ASN HA . 25419 1
159 . 1 1 25 25 ASN HB2 H 1 2.538 0.002 . . . . . A 25 ASN HB2 . 25419 1
160 . 1 1 25 25 ASN HB3 H 1 2.538 0.002 . . . . . A 25 ASN HB3 . 25419 1
161 . 1 1 25 25 ASN HD21 H 1 6.823 0.002 . . . . . A 25 ASN HD21 . 25419 1
162 . 1 1 25 25 ASN HD22 H 1 7.454 0.002 . . . . . A 25 ASN HD22 . 25419 1
163 . 1 1 26 26 HIS H H 1 7.541 0.002 . . . . . A 26 HIS H . 25419 1
164 . 1 1 26 26 HIS HA H 1 4.357 0.002 . . . . . A 26 HIS HA . 25419 1
165 . 1 1 26 26 HIS HB2 H 1 2.157 0.002 . . . . . A 26 HIS HB2 . 25419 1
166 . 1 1 26 26 HIS HB3 H 1 2.266 0.002 . . . . . A 26 HIS HB3 . 25419 1
167 . 1 1 26 26 HIS HD2 H 1 6.996 0.002 . . . . . A 26 HIS HD2 . 25419 1
168 . 1 1 26 26 HIS HE1 H 1 8.387 0.002 . . . . . A 26 HIS HE1 . 25419 1
169 . 1 1 27 27 ASN H H 1 8.406 0.002 . . . . . A 27 ASN H . 25419 1
170 . 1 1 27 27 ASN HA H 1 4.536 0.002 . . . . . A 27 ASN HA . 25419 1
171 . 1 1 27 27 ASN HB2 H 1 2.75 0.002 . . . . . A 27 ASN HB2 . 25419 1
172 . 1 1 27 27 ASN HB3 H 1 3.114 0.002 . . . . . A 27 ASN HB3 . 25419 1
173 . 1 1 27 27 ASN HD21 H 1 6.617 0.002 . . . . . A 27 ASN HD21 . 25419 1
174 . 1 1 27 27 ASN HD22 H 1 7.385 0.002 . . . . . A 27 ASN HD22 . 25419 1
175 . 1 1 28 28 TRP H H 1 8.085 0.002 . . . . . A 28 TRP H . 25419 1
176 . 1 1 28 28 TRP HA H 1 5.583 0.002 . . . . . A 28 TRP HA . 25419 1
177 . 1 1 28 28 TRP HB2 H 1 2.575 0.002 . . . . . A 28 TRP HB2 . 25419 1
178 . 1 1 28 28 TRP HB3 H 1 2.814 0.002 . . . . . A 28 TRP HB3 . 25419 1
179 . 1 1 28 28 TRP HD1 H 1 6.892 0.002 . . . . . A 28 TRP HD1 . 25419 1
180 . 1 1 28 28 TRP HE1 H 1 10.065 0.002 . . . . . A 28 TRP HE1 . 25419 1
181 . 1 1 28 28 TRP HE3 H 1 7.179 0.002 . . . . . A 28 TRP HE3 . 25419 1
182 . 1 1 28 28 TRP HZ2 H 1 7.228 0.002 . . . . . A 28 TRP HZ2 . 25419 1
183 . 1 1 28 28 TRP HZ3 H 1 6.857 0.002 . . . . . A 28 TRP HZ3 . 25419 1
184 . 1 1 28 28 TRP HH2 H 1 6.974 0.002 . . . . . A 28 TRP HH2 . 25419 1
185 . 1 1 29 29 CYS H H 1 8.582 0.002 . . . . . A 29 CYS H . 25419 1
186 . 1 1 29 29 CYS HA H 1 4.597 0.002 . . . . . A 29 CYS HA . 25419 1
187 . 1 1 29 29 CYS HB2 H 1 2.605 0.002 . . . . . A 29 CYS HB2 . 25419 1
188 . 1 1 29 29 CYS HB3 H 1 3.165 0.002 . . . . . A 29 CYS HB3 . 25419 1
189 . 1 1 30 30 LYS H H 1 8.899 0.002 . . . . . A 30 LYS H . 25419 1
190 . 1 1 30 30 LYS HA H 1 4.722 0.002 . . . . . A 30 LYS HA . 25419 1
191 . 1 1 30 30 LYS HB2 H 1 1.796 0.002 . . . . . A 30 LYS HB2 . 25419 1
192 . 1 1 30 30 LYS HB3 H 1 1.877 0.002 . . . . . A 30 LYS HB3 . 25419 1
193 . 1 1 30 30 LYS HG2 H 1 1.391 0.002 . . . . . A 30 LYS HG2 . 25419 1
194 . 1 1 30 30 LYS HG3 H 1 1.391 0.002 . . . . . A 30 LYS HG3 . 25419 1
195 . 1 1 30 30 LYS HD2 H 1 1.57 0.002 . . . . . A 30 LYS HD2 . 25419 1
196 . 1 1 30 30 LYS HD3 H 1 1.57 0.002 . . . . . A 30 LYS HD3 . 25419 1
197 . 1 1 30 30 LYS HE2 H 1 2.828 0.002 . . . . . A 30 LYS HE2 . 25419 1
198 . 1 1 30 30 LYS HE3 H 1 2.828 0.002 . . . . . A 30 LYS HE3 . 25419 1
199 . 1 1 31 31 LEU H H 1 8.377 0.002 . . . . . A 31 LEU H . 25419 1
200 . 1 1 31 31 LEU HA H 1 4.327 0.002 . . . . . A 31 LEU HA . 25419 1
201 . 1 1 31 31 LEU HB2 H 1 1.485 0.002 . . . . . A 31 LEU HB2 . 25419 1
202 . 1 1 31 31 LEU HB3 H 1 1.651 0.002 . . . . . A 31 LEU HB3 . 25419 1
203 . 1 1 31 31 LEU HG H 1 1.600 0.002 . . . . . A 31 LEU HG . 25419 1
204 . 1 1 31 31 LEU HD11 H 1 0.815 0.002 . . . . . A 31 LEU HD11 . 25419 1
205 . 1 1 31 31 LEU HD12 H 1 0.815 0.002 . . . . . A 31 LEU HD12 . 25419 1
206 . 1 1 31 31 LEU HD13 H 1 0.815 0.002 . . . . . A 31 LEU HD13 . 25419 1
207 . 1 1 31 31 LEU HD21 H 1 0.779 0.002 . . . . . A 31 LEU HD21 . 25419 1
208 . 1 1 31 31 LEU HD22 H 1 0.779 0.002 . . . . . A 31 LEU HD22 . 25419 1
209 . 1 1 31 31 LEU HD23 H 1 0.779 0.002 . . . . . A 31 LEU HD23 . 25419 1
210 . 1 1 32 32 HIS H H 1 8.347 0.002 . . . . . A 32 HIS H . 25419 1
211 . 1 1 32 32 HIS HA H 1 4.508 0.002 . . . . . A 32 HIS HA . 25419 1
212 . 1 1 32 32 HIS HB2 H 1 2.839 0.002 . . . . . A 32 HIS HB2 . 25419 1
213 . 1 1 32 32 HIS HB3 H 1 2.957 0.002 . . . . . A 32 HIS HB3 . 25419 1
214 . 1 1 32 32 HIS HD2 H 1 7.239 0.002 . . . . . A 32 HIS HD2 . 25419 1
215 . 1 1 33 33 LEU H H 1 8.065 0.002 . . . . . A 33 LEU H . 25419 1
216 . 1 1 33 33 LEU HA H 1 4.059 0.002 . . . . . A 33 LEU HA . 25419 1
217 . 1 1 33 33 LEU HB2 H 1 1.486 0.002 . . . . . A 33 LEU HB2 . 25419 1
218 . 1 1 33 33 LEU HB3 H 1 1.508 0.002 . . . . . A 33 LEU HB3 . 25419 1
219 . 1 1 33 33 LEU HG H 1 1.353 0.002 . . . . . A 33 LEU HG . 25419 1
220 . 1 1 33 33 LEU HD11 H 1 0.808 0.002 . . . . . A 33 LEU HD11 . 25419 1
221 . 1 1 33 33 LEU HD12 H 1 0.808 0.002 . . . . . A 33 LEU HD12 . 25419 1
222 . 1 1 33 33 LEU HD13 H 1 0.808 0.002 . . . . . A 33 LEU HD13 . 25419 1
223 . 1 1 33 33 LEU HD21 H 1 0.755 0.002 . . . . . A 33 LEU HD21 . 25419 1
224 . 1 1 33 33 LEU HD22 H 1 0.755 0.002 . . . . . A 33 LEU HD22 . 25419 1
225 . 1 1 33 33 LEU HD23 H 1 0.755 0.002 . . . . . A 33 LEU HD23 . 25419 1
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