data_31073
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 31073
_Entry.Title
;
Reelin C-Terminal Region
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-02-03
_Entry.Accession_date 2023-02-03
_Entry.Last_release_date 2023-03-06
_Entry.Original_release_date 2023-03-06
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype 'SOLUTION NMR'
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 A. Chandrahas A. . . . 31073
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'Alzheimers disease' . 31073
'GAG interaction' . 31073
'SUGAR BINDING PROTEIN' . 31073
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 31073
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 92 31073
'15N chemical shifts' 33 31073
'1H chemical shifts' 216 31073
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2023-05-23 . original BMRB . 31073
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 8G21 'BMRB Entry Tracking System' 31073
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 31073
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID .
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Reelin C-Terminal Region
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD 0353
_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 .
_Citation.Page_last .
_Citation.Year .
_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 A. Chandrahas A. . . . 31073 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 31073
_Assembly.ID 1
_Assembly.Name 'Reelin (E.C.3.4.21.-)'
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_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 unit_1 1 $entity_1 A A yes . . . . . . 31073 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 31073
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_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
;
STRKQNYMMNFSRQHGLRHF
YNRRRRSLRRYP
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer no
_Entity.Nstd_chirality .
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 32
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID 1
_Entity.Fragment 'C-terminal residues 3429-3460'
_Entity.Mutation .
_Entity.EC_number 3.4.21.-
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 4225.879
_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 . SER . 31073 1
2 . THR . 31073 1
3 . ARG . 31073 1
4 . LYS . 31073 1
5 . GLN . 31073 1
6 . ASN . 31073 1
7 . TYR . 31073 1
8 . MET . 31073 1
9 . MET . 31073 1
10 . ASN . 31073 1
11 . PHE . 31073 1
12 . SER . 31073 1
13 . ARG . 31073 1
14 . GLN . 31073 1
15 . HIS . 31073 1
16 . GLY . 31073 1
17 . LEU . 31073 1
18 . ARG . 31073 1
19 . HIS . 31073 1
20 . PHE . 31073 1
21 . TYR . 31073 1
22 . ASN . 31073 1
23 . ARG . 31073 1
24 . ARG . 31073 1
25 . ARG . 31073 1
26 . ARG . 31073 1
27 . SER . 31073 1
28 . LEU . 31073 1
29 . ARG . 31073 1
30 . ARG . 31073 1
31 . TYR . 31073 1
32 . PRO . 31073 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
. SER 1 1 31073 1
. THR 2 2 31073 1
. ARG 3 3 31073 1
. LYS 4 4 31073 1
. GLN 5 5 31073 1
. ASN 6 6 31073 1
. TYR 7 7 31073 1
. MET 8 8 31073 1
. MET 9 9 31073 1
. ASN 10 10 31073 1
. PHE 11 11 31073 1
. SER 12 12 31073 1
. ARG 13 13 31073 1
. GLN 14 14 31073 1
. HIS 15 15 31073 1
. GLY 16 16 31073 1
. LEU 17 17 31073 1
. ARG 18 18 31073 1
. HIS 19 19 31073 1
. PHE 20 20 31073 1
. TYR 21 21 31073 1
. ASN 22 22 31073 1
. ARG 23 23 31073 1
. ARG 24 24 31073 1
. ARG 25 25 31073 1
. ARG 26 26 31073 1
. SER 27 27 31073 1
. LEU 28 28 31073 1
. ARG 29 29 31073 1
. ARG 30 30 31073 1
. TYR 31 31 31073 1
. PRO 32 32 31073 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 31073
_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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . RELN . 31073 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 31073
_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_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pET28a . . . 31073 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 31073
_Sample.ID 1
_Sample.Name .
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
3.3 mM [U-98% 15N] Reelin CTR, 50 % v/v THF (CF3-CD2-OH), 0.25 mM DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid), 50% H2O/50% D2O
;
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '50% H2O/50% 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 'Reelin CTR' '[U-98% 15N]' . . 1 $entity_1 . . 3.3 . . mM . . . . 31073 1
2 'THF (CF3-CD2-OH)' 'natural abundance' . . . . . . 50 . . '% v/v' . . . . 31073 1
3 'DSS (4,4-dimethyl-4-silapentane-1-sulfonic acid)' 'natural abundance' . . . . . . 0.25 . . mM . . . . 31073 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 31073
_Sample_condition_list.ID 1
_Sample_condition_list.Name .
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 7.4 . pH 31073 1
temperature 298.15 . K 31073 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 31073
_Software.ID 1
_Software.Type .
_Software.Name CNS
_Software.Version 1.2.1
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger A. T. et.al.' . . 31073 1
stop_
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
refinement . 31073 1
'structure calculation' . 31073 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 31073
_Software.ID 2
_Software.Type .
_Software.Name ARIA
_Software.Version 2.3.2
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
"Linge, O'Donoghue and Nilges" . . 31073 2
stop_
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'structure calculation' . 31073 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 31073
_Software.ID 3
_Software.Type .
_Software.Name PSVS
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bhattacharya and Montelione' . . 31073 3
stop_
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 31073 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 31073
_Software.ID 4
_Software.Type .
_Software.Name 'CcpNmr Analysis'
_Software.Version 2.4.2
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
CCPN . . 31073 4
stop_
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 31073 4
stop_
save_
save_software_5
_Software.Sf_category software
_Software.Sf_framecode software_5
_Software.Entry_ID 31073
_Software.ID 5
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31073 5
stop_
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 31073 5
stop_
save_
save_software_6
_Software.Sf_category software
_Software.Sf_framecode software_6
_Software.Entry_ID 31073
_Software.ID 6
_Software.Type .
_Software.Name PyMOL
_Software.Version 2.5.4
_Software.DOI .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Schrodinger and DeLano' . . 31073 6
stop_
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 31073 6
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 31073
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name .
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Agilent
_NMR_spectrometer.Model 'Direct Drive'
_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 31073
_NMR_spectrometer_list.ID 1
_NMR_spectrometer_list.Name .
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer_1 Agilent 'Direct Drive' . 600 . . . 31073 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 31073
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_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.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '1H TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 1
2 '1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 1
3 '2D 1H-15N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 1
4 '2D 1H-13C' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31073 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 31073
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name .
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.10139 . . . . . 31073 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 31073
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '1H TOCSY' . . . 31073 1
2 '1H NOESY' . . . 31073 1
3 '2D 1H-15N' . . . 31073 1
4 '2D 1H-13C' . . . 31073 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 SER HA H 1 4.242 0.001 . 1 . . 140 . A 1 SER HA . 31073 1
2 . 1 . 1 1 1 SER HB2 H 1 4.036 0.003 . 2 . . 139 . A 1 SER HB2 . 31073 1
3 . 1 . 1 1 1 SER HB3 H 1 4.084 0.001 . 2 . . 137 . A 1 SER HB3 . 31073 1
4 . 1 . 1 1 1 SER CA C 13 57.488 . . 1 . . 141 . A 1 SER CA . 31073 1
5 . 1 . 1 1 1 SER CB C 13 64.091 0.021 . 1 . . 138 . A 1 SER CB . 31073 1
6 . 1 . 1 2 2 THR HA H 1 4.542 . . 1 . . 205 . A 2 THR HA . 31073 1
7 . 1 . 1 2 2 THR HB H 1 4.534 . . 1 . . 203 . A 2 THR HB . 31073 1
8 . 1 . 1 2 2 THR HG21 H 1 1.344 0.0 . 1 . . 109 . A 2 THR HG21 . 31073 1
9 . 1 . 1 2 2 THR HG22 H 1 1.344 0.0 . 1 . . 109 . A 2 THR HG22 . 31073 1
10 . 1 . 1 2 2 THR HG23 H 1 1.344 0.0 . 1 . . 109 . A 2 THR HG23 . 31073 1
11 . 1 . 1 2 2 THR CA C 13 62.046 . . 1 . . 206 . A 2 THR CA . 31073 1
12 . 1 . 1 2 2 THR CB C 13 70.429 . . 1 . . 204 . A 2 THR CB . 31073 1
13 . 1 . 1 2 2 THR CG2 C 13 21.527 0.0 . 1 . . 110 . A 2 THR CG2 . 31073 1
14 . 1 . 1 3 3 ARG H H 1 8.616 0.0 . 1 . . 62 . A 3 ARG H . 31073 1
15 . 1 . 1 3 3 ARG HA H 1 4.230 0.002 . 1 . . 114 . A 3 ARG HA . 31073 1
16 . 1 . 1 3 3 ARG HB3 H 1 1.919 0.002 . 1 . . 288 . A 3 ARG HB3 . 31073 1
17 . 1 . 1 3 3 ARG HG2 H 1 1.695 . . 2 . . 290 . A 3 ARG HG2 . 31073 1
18 . 1 . 1 3 3 ARG HG3 H 1 1.812 0.001 . 2 . . 289 . A 3 ARG HG3 . 31073 1
19 . 1 . 1 3 3 ARG HD3 H 1 3.268 0.001 . 1 . . 287 . A 3 ARG HD3 . 31073 1
20 . 1 . 1 3 3 ARG HE H 1 7.255 . . 1 . . 352 . A 3 ARG HE . 31073 1
21 . 1 . 1 3 3 ARG CA C 13 58.900 . . 1 . . 359 . A 3 ARG CA . 31073 1
22 . 1 . 1 3 3 ARG N N 15 122.061 . . 1 . . 63 . A 3 ARG N . 31073 1
23 . 1 . 1 4 4 LYS H H 1 8.213 0.001 . 1 . . 19 . A 4 LYS H . 31073 1
24 . 1 . 1 4 4 LYS HA H 1 4.167 0.003 . 1 . . 209 . A 4 LYS HA . 31073 1
25 . 1 . 1 4 4 LYS HB3 H 1 1.898 0.003 . 1 . . 258 . A 4 LYS HB3 . 31073 1
26 . 1 . 1 4 4 LYS HG2 H 1 1.562 0.004 . 2 . . 257 . A 4 LYS HG2 . 31073 1
27 . 1 . 1 4 4 LYS HG3 H 1 1.485 0.004 . 2 . . 255 . A 4 LYS HG3 . 31073 1
28 . 1 . 1 4 4 LYS HD3 H 1 1.764 0.003 . 1 . . 260 . A 4 LYS HD3 . 31073 1
29 . 1 . 1 4 4 LYS HE3 H 1 3.025 0.001 . 1 . . 253 . A 4 LYS HE3 . 31073 1
30 . 1 . 1 4 4 LYS CA C 13 59.126 . . 1 . . 252 . A 4 LYS CA . 31073 1
31 . 1 . 1 4 4 LYS CB C 13 32.638 . . 1 . . 259 . A 4 LYS CB . 31073 1
32 . 1 . 1 4 4 LYS CG C 13 25.211 0.01 . 1 . . 256 . A 4 LYS CG . 31073 1
33 . 1 . 1 4 4 LYS CD C 13 29.428 . . 1 . . 261 . A 4 LYS CD . 31073 1
34 . 1 . 1 4 4 LYS CE C 13 42.156 . . 1 . . 254 . A 4 LYS CE . 31073 1
35 . 1 . 1 4 4 LYS N N 15 122.114 . . 1 . . 20 . A 4 LYS N . 31073 1
36 . 1 . 1 5 5 GLN H H 1 8.133 0.001 . 1 . . 41 . A 5 GLN H . 31073 1
37 . 1 . 1 5 5 GLN HA H 1 4.145 . . 1 . . 147 . A 5 GLN HA . 31073 1
38 . 1 . 1 5 5 GLN HB2 H 1 2.127 0.003 . 2 . . 146 . A 5 GLN HB2 . 31073 1
39 . 1 . 1 5 5 GLN HB3 H 1 2.229 0.0 . 2 . . 144 . A 5 GLN HB3 . 31073 1
40 . 1 . 1 5 5 GLN HG3 H 1 2.469 0.0 . 1 . . 142 . A 5 GLN HG3 . 31073 1
41 . 1 . 1 5 5 GLN HE21 H 1 7.280 0.001 . 1 . . 149 . A 5 GLN HE21 . 31073 1
42 . 1 . 1 5 5 GLN HE22 H 1 6.740 0.001 . 1 . . 151 . A 5 GLN HE22 . 31073 1
43 . 1 . 1 5 5 GLN CA C 13 58.970 . . 1 . . 148 . A 5 GLN CA . 31073 1
44 . 1 . 1 5 5 GLN CB C 13 28.720 0.003 . 1 . . 145 . A 5 GLN CB . 31073 1
45 . 1 . 1 5 5 GLN CG C 13 34.070 . . 1 . . 143 . A 5 GLN CG . 31073 1
46 . 1 . 1 5 5 GLN N N 15 118.628 . . 1 . . 42 . A 5 GLN N . 31073 1
47 . 1 . 1 5 5 GLN NE2 N 15 109.727 0.004 . 1 . . 150 . A 5 GLN NE2 . 31073 1
48 . 1 . 1 6 6 ASN H H 1 8.343 0.001 . 1 . . 3 . A 6 ASN H . 31073 1
49 . 1 . 1 6 6 ASN HA H 1 4.555 0.002 . 1 . . 121 . A 6 ASN HA . 31073 1
50 . 1 . 1 6 6 ASN HB2 H 1 2.940 0.001 . 2 . . 123 . A 6 ASN HB2 . 31073 1
51 . 1 . 1 6 6 ASN HB3 H 1 2.860 0.002 . 2 . . 122 . A 6 ASN HB3 . 31073 1
52 . 1 . 1 6 6 ASN HD21 H 1 7.430 0.002 . 1 . . 166 . A 6 ASN HD21 . 31073 1
53 . 1 . 1 6 6 ASN HD22 H 1 6.816 0.002 . 1 . . 168 . A 6 ASN HD22 . 31073 1
54 . 1 . 1 6 6 ASN CA C 13 56.110 . . 1 . . 231 . A 6 ASN CA . 31073 1
55 . 1 . 1 6 6 ASN CB C 13 38.581 0.002 . 1 . . 230 . A 6 ASN CB . 31073 1
56 . 1 . 1 6 6 ASN N N 15 117.996 . . 1 . . 4 . A 6 ASN N . 31073 1
57 . 1 . 1 6 6 ASN ND2 N 15 110.607 0.005 . 1 . . 167 . A 6 ASN ND2 . 31073 1
58 . 1 . 1 7 7 TYR H H 1 8.348 0.001 . 1 . . 11 . A 7 TYR H . 31073 1
59 . 1 . 1 7 7 TYR HA H 1 4.333 0.002 . 1 . . 120 . A 7 TYR HA . 31073 1
60 . 1 . 1 7 7 TYR HB2 H 1 3.230 . . 1 . . 228 . A 7 TYR HB2 . 31073 1
61 . 1 . 1 7 7 TYR HD1 H 1 7.134 0.001 . 1 . . 244 . A 7 TYR HD1 . 31073 1
62 . 1 . 1 7 7 TYR HD2 H 1 7.134 0.001 . 1 . . 244 . A 7 TYR HD2 . 31073 1
63 . 1 . 1 7 7 TYR HE1 H 1 6.809 0.002 . 1 . . 246 . A 7 TYR HE1 . 31073 1
64 . 1 . 1 7 7 TYR HE2 H 1 6.809 0.002 . 1 . . 246 . A 7 TYR HE2 . 31073 1
65 . 1 . 1 7 7 TYR CA C 13 61.413 . . 1 . . 227 . A 7 TYR CA . 31073 1
66 . 1 . 1 7 7 TYR CD1 C 13 133.049 . . 1 . . 245 . A 7 TYR CD1 . 31073 1
67 . 1 . 1 7 7 TYR CD2 C 13 133.049 . . 1 . . 245 . A 7 TYR CD2 . 31073 1
68 . 1 . 1 7 7 TYR CE1 C 13 117.991 . . 1 . . 247 . A 7 TYR CE1 . 31073 1
69 . 1 . 1 7 7 TYR CE2 C 13 117.991 . . 1 . . 247 . A 7 TYR CE2 . 31073 1
70 . 1 . 1 7 7 TYR N N 15 121.257 . . 1 . . 12 . A 7 TYR N . 31073 1
71 . 1 . 1 8 8 MET H H 1 8.466 0.001 . 1 . . 52 . A 8 MET H . 31073 1
72 . 1 . 1 8 8 MET HA H 1 4.360 . . 1 . . 224 . A 8 MET HA . 31073 1
73 . 1 . 1 8 8 MET HB2 H 1 2.287 . . 2 . . 176 . A 8 MET HB2 . 31073 1
74 . 1 . 1 8 8 MET HB3 H 1 2.260 0.0 . 2 . . 174 . A 8 MET HB3 . 31073 1
75 . 1 . 1 8 8 MET HG2 H 1 2.824 0.004 . 2 . . 179 . A 8 MET HG2 . 31073 1
76 . 1 . 1 8 8 MET HG3 H 1 2.691 0.004 . 2 . . 178 . A 8 MET HG3 . 31073 1
77 . 1 . 1 8 8 MET HE1 H 1 2.097 . . 1 . . 220 . A 8 MET HE1 . 31073 1
78 . 1 . 1 8 8 MET HE2 H 1 2.097 . . 1 . . 220 . A 8 MET HE2 . 31073 1
79 . 1 . 1 8 8 MET HE3 H 1 2.097 . . 1 . . 220 . A 8 MET HE3 . 31073 1
80 . 1 . 1 8 8 MET CA C 13 58.181 . . 1 . . 225 . A 8 MET CA . 31073 1
81 . 1 . 1 8 8 MET CB C 13 31.921 0.007 . 1 . . 175 . A 8 MET CB . 31073 1
82 . 1 . 1 8 8 MET CG C 13 32.090 0.008 . 1 . . 180 . A 8 MET CG . 31073 1
83 . 1 . 1 8 8 MET CE C 13 15.837 . . 1 . . 221 . A 8 MET CE . 31073 1
84 . 1 . 1 8 8 MET N N 15 118.514 . . 1 . . 53 . A 8 MET N . 31073 1
85 . 1 . 1 9 9 MET H H 1 8.532 0.0 . 1 . . 31 . A 9 MET H . 31073 1
86 . 1 . 1 9 9 MET HA H 1 4.294 0.001 . 1 . . 115 . A 9 MET HA . 31073 1
87 . 1 . 1 9 9 MET HB2 H 1 2.283 0.004 . 2 . . 117 . A 9 MET HB2 . 31073 1
88 . 1 . 1 9 9 MET HB3 H 1 2.215 0.002 . 2 . . 116 . A 9 MET HB3 . 31073 1
89 . 1 . 1 9 9 MET HG2 H 1 2.788 0.0 . 2 . . 119 . A 9 MET HG2 . 31073 1
90 . 1 . 1 9 9 MET HG3 H 1 2.629 0.002 . 2 . . 118 . A 9 MET HG3 . 31073 1
91 . 1 . 1 9 9 MET HE1 H 1 2.144 . . 1 . . 222 . A 9 MET HE1 . 31073 1
92 . 1 . 1 9 9 MET HE2 H 1 2.144 . . 1 . . 222 . A 9 MET HE2 . 31073 1
93 . 1 . 1 9 9 MET HE3 H 1 2.144 . . 1 . . 222 . A 9 MET HE3 . 31073 1
94 . 1 . 1 9 9 MET CA C 13 58.717 . . 1 . . 226 . A 9 MET CA . 31073 1
95 . 1 . 1 9 9 MET CB C 13 32.310 0.01 . 1 . . 173 . A 9 MET CB . 31073 1
96 . 1 . 1 9 9 MET CG C 13 32.152 0.001 . 1 . . 177 . A 9 MET CG . 31073 1
97 . 1 . 1 9 9 MET CE C 13 16.483 . . 1 . . 223 . A 9 MET CE . 31073 1
98 . 1 . 1 9 9 MET N N 15 120.027 . . 1 . . 32 . A 9 MET N . 31073 1
99 . 1 . 1 10 10 ASN H H 1 8.097 0.0 . 1 . . 37 . A 10 ASN H . 31073 1
100 . 1 . 1 10 10 ASN HA H 1 4.536 0.0 . 1 . . 106 . A 10 ASN HA . 31073 1
101 . 1 . 1 10 10 ASN HB2 H 1 2.880 0.001 . 2 . . 164 . A 10 ASN HB2 . 31073 1
102 . 1 . 1 10 10 ASN HB3 H 1 2.763 0.001 . 2 . . 162 . A 10 ASN HB3 . 31073 1
103 . 1 . 1 10 10 ASN HD21 H 1 7.416 . . 1 . . 161 . A 10 ASN HD21 . 31073 1
104 . 1 . 1 10 10 ASN HD22 H 1 6.809 . . 1 . . 163 . A 10 ASN HD22 . 31073 1
105 . 1 . 1 10 10 ASN CA C 13 56.472 . . 1 . . 234 . A 10 ASN CA . 31073 1
106 . 1 . 1 10 10 ASN CB C 13 38.745 0.002 . 1 . . 233 . A 10 ASN CB . 31073 1
107 . 1 . 1 10 10 ASN N N 15 118.201 . . 1 . . 38 . A 10 ASN N . 31073 1
108 . 1 . 1 10 10 ASN ND2 N 15 112.008 0.003 . 1 . . 165 . A 10 ASN ND2 . 31073 1
109 . 1 . 1 11 11 PHE H H 1 8.729 0.001 . 1 . . 43 . A 11 PHE H . 31073 1
110 . 1 . 1 11 11 PHE HA H 1 4.271 0.003 . 1 . . 136 . A 11 PHE HA . 31073 1
111 . 1 . 1 11 11 PHE HB2 H 1 3.213 0.001 . 2 . . 135 . A 11 PHE HB2 . 31073 1
112 . 1 . 1 11 11 PHE HB3 H 1 3.043 0.001 . 2 . . 134 . A 11 PHE HB3 . 31073 1
113 . 1 . 1 11 11 PHE HD1 H 1 7.237 . . 1 . . 291 . A 11 PHE HD1 . 31073 1
114 . 1 . 1 11 11 PHE HD2 H 1 7.237 . . 1 . . 291 . A 11 PHE HD2 . 31073 1
115 . 1 . 1 11 11 PHE HE1 H 1 7.285 . . 1 . . 300 . A 11 PHE HE1 . 31073 1
116 . 1 . 1 11 11 PHE HE2 H 1 7.285 . . 1 . . 300 . A 11 PHE HE2 . 31073 1
117 . 1 . 1 11 11 PHE HZ H 1 7.192 . . 1 . . 324 . A 11 PHE HZ . 31073 1
118 . 1 . 1 11 11 PHE CB C 13 39.267 0.01 . 1 . . 293 . A 11 PHE CB . 31073 1
119 . 1 . 1 11 11 PHE CD1 C 13 131.803 . . 1 . . 292 . A 11 PHE CD1 . 31073 1
120 . 1 . 1 11 11 PHE CD2 C 13 131.803 . . 1 . . 292 . A 11 PHE CD2 . 31073 1
121 . 1 . 1 11 11 PHE CE1 C 13 131.103 . . 1 . . 301 . A 11 PHE CE1 . 31073 1
122 . 1 . 1 11 11 PHE CE2 C 13 131.103 . . 1 . . 301 . A 11 PHE CE2 . 31073 1
123 . 1 . 1 11 11 PHE CZ C 13 129.700 . . 1 . . 325 . A 11 PHE CZ . 31073 1
124 . 1 . 1 11 11 PHE N N 15 121.042 . . 1 . . 44 . A 11 PHE N . 31073 1
125 . 1 . 1 12 12 SER H H 1 8.482 0.001 . 1 . . 17 . A 12 SER H . 31073 1
126 . 1 . 1 12 12 SER HA H 1 4.236 0.001 . 1 . . 91 . A 12 SER HA . 31073 1
127 . 1 . 1 12 12 SER HB2 H 1 4.111 0.0 . 2 . . 92 . A 12 SER HB2 . 31073 1
128 . 1 . 1 12 12 SER HB3 H 1 4.180 0.002 . 2 . . 126 . A 12 SER HB2 . 31073 1
129 . 1 . 1 12 12 SER CA C 13 61.840 . . 1 . . 133 . A 12 SER CA . 31073 1
130 . 1 . 1 12 12 SER CB C 13 63.008 0.014 . 1 . . 127 . A 12 SER CB . 31073 1
131 . 1 . 1 12 12 SER N N 15 115.064 . . 1 . . 18 . A 12 SER N . 31073 1
132 . 1 . 1 13 13 ARG H H 1 8.147 0.0 . 1 . . 33 . A 13 ARG H . 31073 1
133 . 1 . 1 13 13 ARG HA H 1 4.216 0.0 . 1 . . 102 . A 13 ARG HA . 31073 1
134 . 1 . 1 13 13 ARG HB2 H 1 2.035 0.002 . 1 . . 284 . A 13 ARG HB2 . 31073 1
135 . 1 . 1 13 13 ARG HG2 H 1 1.710 0.004 . 1 . . 295 . A 13 ARG HG2 . 31073 1
136 . 1 . 1 13 13 ARG HD2 H 1 3.262 0.003 . 1 . . 283 . A 13 ARG HD2 . 31073 1
137 . 1 . 1 13 13 ARG HE H 1 7.177 . . 1 . . 282 . A 13 ARG HE . 31073 1
138 . 1 . 1 13 13 ARG CA C 13 59.106 . . 1 . . 358 . A 13 ARG CA . 31073 1
139 . 1 . 1 13 13 ARG CB C 13 30.226 . . 1 . . 294 . A 13 ARG CB . 31073 1
140 . 1 . 1 13 13 ARG N N 15 122.354 . . 1 . . 34 . A 13 ARG N . 31073 1
141 . 1 . 1 14 14 GLN H H 1 8.160 0.003 . 1 . . 7 . A 14 GLN H . 31073 1
142 . 1 . 1 14 14 GLN HA H 1 4.092 0.003 . 1 . . 152 . A 14 GLN HA . 31073 1
143 . 1 . 1 14 14 GLN HB3 H 1 2.085 0.004 . 1 . . 157 . A 14 GLN HB3 . 31073 1
144 . 1 . 1 14 14 GLN HG2 H 1 2.378 0.001 . 2 . . 156 . A 14 GLN HG2 . 31073 1
145 . 1 . 1 14 14 GLN HG3 H 1 2.496 . . 2 . . 154 . A 14 GLN HG3 . 31073 1
146 . 1 . 1 14 14 GLN HE21 H 1 7.168 . . 1 . . 159 . A 14 GLN HE21 . 31073 1
147 . 1 . 1 14 14 GLN HE22 H 1 6.537 . . 1 . . 160 . A 14 GLN HE22 . 31073 1
148 . 1 . 1 14 14 GLN CA C 13 58.204 . . 1 . . 153 . A 14 GLN CA . 31073 1
149 . 1 . 1 14 14 GLN CB C 13 28.411 . . 1 . . 158 . A 14 GLN CB . 31073 1
150 . 1 . 1 14 14 GLN CG C 13 33.822 0.001 . 1 . . 155 . A 14 GLN CG . 31073 1
151 . 1 . 1 14 14 GLN N N 15 117.259 . . 1 . . 8 . A 14 GLN N . 31073 1
152 . 1 . 1 15 15 HIS H H 1 8.193 0.0 . 1 . . 27 . A 15 HIS H . 31073 1
153 . 1 . 1 15 15 HIS HA H 1 4.328 0.002 . 1 . . 219 . A 15 HIS HA . 31073 1
154 . 1 . 1 15 15 HIS HB2 H 1 3.153 0.003 . 2 . . 192 . A 15 HIS HB2 . 31073 1
155 . 1 . 1 15 15 HIS HB3 H 1 2.939 0.004 . 2 . . 190 . A 15 HIS HB3 . 31073 1
156 . 1 . 1 15 15 HIS HD2 H 1 6.909 0.002 . 1 . . 193 . A 15 HIS HD2 . 31073 1
157 . 1 . 1 15 15 HIS HE1 H 1 7.810 0.001 . 1 . . 195 . A 15 HIS HE1 . 31073 1
158 . 1 . 1 15 15 HIS CA C 13 59.185 . . 1 . . 218 . A 15 HIS CA . 31073 1
159 . 1 . 1 15 15 HIS CB C 13 29.565 0.004 . 1 . . 191 . A 15 HIS CB . 31073 1
160 . 1 . 1 15 15 HIS CD2 C 13 119.788 . . 1 . . 194 . A 15 HIS CD2 . 31073 1
161 . 1 . 1 15 15 HIS CE1 C 13 137.172 . . 1 . . 196 . A 15 HIS CE1 . 31073 1
162 . 1 . 1 15 15 HIS N N 15 117.511 . . 1 . . 28 . A 15 HIS N . 31073 1
163 . 1 . 1 16 16 GLY H H 1 8.336 0.001 . 1 . . 50 . A 16 GLY H . 31073 1
164 . 1 . 1 16 16 GLY HA2 H 1 3.972 . . 2 . . 87 . A 16 GLY HA2 . 31073 1
165 . 1 . 1 16 16 GLY HA3 H 1 3.984 . . 2 . . 86 . A 16 GLY HA3 . 31073 1
166 . 1 . 1 16 16 GLY CA C 13 46.964 . . 1 . . 124 . A 16 GLY CA . 31073 1
167 . 1 . 1 16 16 GLY N N 15 107.763 . . 1 . . 51 . A 16 GLY N . 31073 1
168 . 1 . 1 17 17 LEU H H 1 8.212 0.001 . 1 . . 82 . A 17 LEU H . 31073 1
169 . 1 . 1 17 17 LEU HA H 1 4.316 0.003 . 1 . . 68 . A 17 LEU HA . 31073 1
170 . 1 . 1 17 17 LEU HB2 H 1 1.872 0.001 . 2 . . 77 . A 17 LEU HB2 . 31073 1
171 . 1 . 1 17 17 LEU HB3 H 1 1.700 0.001 . 2 . . 83 . A 17 LEU HB2 . 31073 1
172 . 1 . 1 17 17 LEU HG H 1 1.810 0.0 . 1 . . 84 . A 17 LEU HG . 31073 1
173 . 1 . 1 17 17 LEU HD11 H 1 0.976 0.001 . 2 . . 67 . A 17 LEU HD11 . 31073 1
174 . 1 . 1 17 17 LEU HD12 H 1 0.976 0.001 . 2 . . 67 . A 17 LEU HD12 . 31073 1
175 . 1 . 1 17 17 LEU HD13 H 1 0.976 0.001 . 2 . . 67 . A 17 LEU HD13 . 31073 1
176 . 1 . 1 17 17 LEU HD21 H 1 0.936 0.002 . 2 . . 69 . A 17 LEU HD21 . 31073 1
177 . 1 . 1 17 17 LEU HD22 H 1 0.936 0.002 . 2 . . 69 . A 17 LEU HD22 . 31073 1
178 . 1 . 1 17 17 LEU HD23 H 1 0.936 0.002 . 2 . . 69 . A 17 LEU HD23 . 31073 1
179 . 1 . 1 17 17 LEU CA C 13 57.715 . . 1 . . 130 . A 17 LEU CA . 31073 1
180 . 1 . 1 17 17 LEU CB C 13 41.982 0.007 . 1 . . 78 . A 17 LEU CB . 31073 1
181 . 1 . 1 17 17 LEU CG C 13 26.683 0.011 . 1 . . 85 . A 17 LEU CG . 31073 1
182 . 1 . 1 17 17 LEU CD1 C 13 24.307 0.001 . 2 . . 76 . A 17 LEU CD1 . 31073 1
183 . 1 . 1 17 17 LEU CD2 C 13 23.085 0.002 . 2 . . 75 . A 17 LEU CD2 . 31073 1
184 . 1 . 1 17 17 LEU N N 15 119.662 . . 1 . . 49 . A 17 LEU N . 31073 1
185 . 1 . 1 18 18 ARG H H 1 8.006 0.001 . 1 . . 13 . A 18 ARG H . 31073 1
186 . 1 . 1 18 18 ARG HA H 1 4.113 0.002 . 1 . . 281 . A 18 ARG HA . 31073 1
187 . 1 . 1 18 18 ARG HB2 H 1 1.906 . . 2 . . 296 . A 18 ARG HB2 . 31073 1
188 . 1 . 1 18 18 ARG HB3 H 1 1.790 . . 2 . . 328 . A 18 ARG HB2 . 31073 1
189 . 1 . 1 18 18 ARG HG2 H 1 1.667 0.001 . 1 . . 297 . A 18 ARG HG2 . 31073 1
190 . 1 . 1 18 18 ARG HD2 H 1 3.195 0.004 . 1 . . 285 . A 18 ARG HD2 . 31073 1
191 . 1 . 1 18 18 ARG HE H 1 7.308 . . 1 . . 354 . A 18 ARG HE . 31073 1
192 . 1 . 1 18 18 ARG N N 15 117.894 . . 1 . . 14 . A 18 ARG N . 31073 1
193 . 1 . 1 19 19 HIS H H 1 8.103 0.001 . 1 . . 45 . A 19 HIS H . 31073 1
194 . 1 . 1 19 19 HIS HA H 1 4.445 0.001 . 1 . . 108 . A 19 HIS HA . 31073 1
195 . 1 . 1 19 19 HIS HB2 H 1 3.245 0.004 . 2 . . 111 . A 19 HIS HB2 . 31073 1
196 . 1 . 1 19 19 HIS HB3 H 1 3.160 0.004 . 2 . . 198 . A 19 HIS HB2 . 31073 1
197 . 1 . 1 19 19 HIS HD2 H 1 6.894 0.0 . 1 . . 201 . A 19 HIS HD2 . 31073 1
198 . 1 . 1 19 19 HIS HE1 H 1 7.884 0.001 . 1 . . 199 . A 19 HIS HE1 . 31073 1
199 . 1 . 1 19 19 HIS CA C 13 59.381 . . 1 . . 316 . A 19 HIS CA . 31073 1
200 . 1 . 1 19 19 HIS CB C 13 29.709 0.003 . 1 . . 197 . A 19 HIS CB . 31073 1
201 . 1 . 1 19 19 HIS CD2 C 13 120.097 . . 1 . . 202 . A 19 HIS CD2 . 31073 1
202 . 1 . 1 19 19 HIS CE1 C 13 137.606 . . 1 . . 200 . A 19 HIS CE1 . 31073 1
203 . 1 . 1 19 19 HIS N N 15 118.043 . . 1 . . 46 . A 19 HIS N . 31073 1
204 . 1 . 1 20 20 PHE H H 1 8.267 0.0 . 1 . . 5 . A 20 PHE H . 31073 1
205 . 1 . 1 20 20 PHE HA H 1 4.292 0.0 . 1 . . 189 . A 20 PHE HA . 31073 1
206 . 1 . 1 20 20 PHE HB2 H 1 3.267 0.002 . 1 . . 248 . A 20 PHE HB2 . 31073 1
207 . 1 . 1 20 20 PHE HD1 H 1 7.164 0.002 . 1 . . 250 . A 20 PHE HD1 . 31073 1
208 . 1 . 1 20 20 PHE HD2 H 1 7.164 0.002 . 1 . . 250 . A 20 PHE HD2 . 31073 1
209 . 1 . 1 20 20 PHE HE1 H 1 7.307 0.0 . 1 . . 251 . A 20 PHE HE1 . 31073 1
210 . 1 . 1 20 20 PHE HE2 H 1 7.307 0.0 . 1 . . 251 . A 20 PHE HE2 . 31073 1
211 . 1 . 1 20 20 PHE HZ H 1 7.303 0.004 . 1 . . 326 . A 20 PHE HZ . 31073 1
212 . 1 . 1 20 20 PHE CA C 13 61.146 . . 1 . . 360 . A 20 PHE CA . 31073 1
213 . 1 . 1 20 20 PHE CB C 13 39.044 . . 1 . . 249 . A 20 PHE CB . 31073 1
214 . 1 . 1 20 20 PHE CD1 C 13 131.683 . . 1 . . 298 . A 20 PHE CD1 . 31073 1
215 . 1 . 1 20 20 PHE CD2 C 13 131.683 . . 1 . . 298 . A 20 PHE CD2 . 31073 1
216 . 1 . 1 20 20 PHE CE1 C 13 131.081 . . 1 . . 299 . A 20 PHE CE1 . 31073 1
217 . 1 . 1 20 20 PHE CE2 C 13 131.081 . . 1 . . 299 . A 20 PHE CE2 . 31073 1
218 . 1 . 1 20 20 PHE CZ C 13 129.683 . . 1 . . 327 . A 20 PHE CZ . 31073 1
219 . 1 . 1 20 20 PHE N N 15 120.098 . . 1 . . 6 . A 20 PHE N . 31073 1
220 . 1 . 1 21 21 TYR H H 1 8.640 0.0 . 1 . . 25 . A 21 TYR H . 31073 1
221 . 1 . 1 21 21 TYR HA H 1 4.182 . . 1 . . 235 . A 21 TYR HA . 31073 1
222 . 1 . 1 21 21 TYR HB2 H 1 3.172 0.002 . 1 . . 237 . A 21 TYR HB2 . 31073 1
223 . 1 . 1 21 21 TYR HD1 H 1 7.179 0.0 . 1 . . 239 . A 21 TYR HD1 . 31073 1
224 . 1 . 1 21 21 TYR HD2 H 1 7.179 0.0 . 1 . . 239 . A 21 TYR HD2 . 31073 1
225 . 1 . 1 21 21 TYR HE1 H 1 6.876 0.001 . 1 . . 241 . A 21 TYR HE1 . 31073 1
226 . 1 . 1 21 21 TYR HE2 H 1 6.876 0.001 . 1 . . 241 . A 21 TYR HE2 . 31073 1
227 . 1 . 1 21 21 TYR CA C 13 61.075 . . 1 . . 236 . A 21 TYR CA . 31073 1
228 . 1 . 1 21 21 TYR CB C 13 38.165 . . 1 . . 238 . A 21 TYR CB . 31073 1
229 . 1 . 1 21 21 TYR CD1 C 13 132.870 . . 1 . . 240 . A 21 TYR CD1 . 31073 1
230 . 1 . 1 21 21 TYR CD2 C 13 132.870 . . 1 . . 240 . A 21 TYR CD2 . 31073 1
231 . 1 . 1 21 21 TYR CE1 C 13 117.970 . . 1 . . 242 . A 21 TYR CE1 . 31073 1
232 . 1 . 1 21 21 TYR CE2 C 13 117.970 . . 1 . . 242 . A 21 TYR CE2 . 31073 1
233 . 1 . 1 21 21 TYR N N 15 119.579 . . 1 . . 26 . A 21 TYR N . 31073 1
234 . 1 . 1 22 22 ASN H H 1 8.295 0.0 . 1 . . 29 . A 22 ASN H . 31073 1
235 . 1 . 1 22 22 ASN HA H 1 4.490 0.001 . 1 . . 169 . A 22 ASN HA . 31073 1
236 . 1 . 1 22 22 ASN HB2 H 1 2.979 0.003 . 2 . . 208 . A 22 ASN HB2 . 31073 1
237 . 1 . 1 22 22 ASN HB3 H 1 2.839 0.004 . 2 . . 207 . A 22 ASN HB3 . 31073 1
238 . 1 . 1 22 22 ASN HD21 H 1 7.676 0.0 . 1 . . 170 . A 22 ASN HD21 . 31073 1
239 . 1 . 1 22 22 ASN HD22 H 1 6.779 0.001 . 1 . . 172 . A 22 ASN HD22 . 31073 1
240 . 1 . 1 22 22 ASN CA C 13 55.691 . . 1 . . 232 . A 22 ASN CA . 31073 1
241 . 1 . 1 22 22 ASN CB C 13 38.592 0.006 . 1 . . 243 . A 22 ASN CB . 31073 1
242 . 1 . 1 22 22 ASN N N 15 117.830 . . 1 . . 30 . A 22 ASN N . 31073 1
243 . 1 . 1 22 22 ASN ND2 N 15 110.831 0.012 . 1 . . 171 . A 22 ASN ND2 . 31073 1
244 . 1 . 1 23 23 ARG H H 1 8.090 0.001 . 1 . . 58 . A 23 ARG H . 31073 1
245 . 1 . 1 23 23 ARG HA H 1 4.095 0.006 . 1 . . 105 . A 23 ARG HA . 31073 1
246 . 1 . 1 23 23 ARG HB2 H 1 1.884 0.004 . 1 . . 279 . A 23 ARG HB2 . 31073 1
247 . 1 . 1 23 23 ARG HG2 H 1 1.628 . . 1 . . 280 . A 23 ARG HG2 . 31073 1
248 . 1 . 1 23 23 ARG HD2 H 1 3.155 0.001 . 1 . . 278 . A 23 ARG HD2 . 31073 1
249 . 1 . 1 23 23 ARG N N 15 119.770 . . 1 . . 59 . A 23 ARG N . 31073 1
250 . 1 . 1 24 24 ARG H H 1 8.167 0.001 . 1 . . 1 . A 24 ARG H . 31073 1
251 . 1 . 1 24 24 ARG HA H 1 4.088 0.005 . 1 . . 277 . A 24 ARG HA . 31073 1
252 . 1 . 1 24 24 ARG HB2 H 1 1.849 . . 2 . . 321 . A 24 ARG HB2 . 31073 1
253 . 1 . 1 24 24 ARG HB3 H 1 1.708 . . 2 . . 320 . A 24 ARG HB3 . 31073 1
254 . 1 . 1 24 24 ARG HG2 H 1 1.561 0.002 . 1 . . 103 . A 24 ARG HG2 . 31073 1
255 . 1 . 1 24 24 ARG HD2 H 1 3.078 0.003 . 2 . . 276 . A 24 ARG HD2 . 31073 1
256 . 1 . 1 24 24 ARG HD3 H 1 3.040 . . 2 . . 319 . A 24 ARG HD2 . 31073 1
257 . 1 . 1 24 24 ARG HE H 1 7.303 . . 1 . . 322 . A 24 ARG HE . 31073 1
258 . 1 . 1 24 24 ARG N N 15 119.957 . . 1 . . 2 . A 24 ARG N . 31073 1
259 . 1 . 1 25 25 ARG H H 1 8.126 0.001 . 1 . . 35 . A 25 ARG H . 31073 1
260 . 1 . 1 25 25 ARG HA H 1 4.099 0.002 . 1 . . 314 . A 25 ARG HA . 31073 1
261 . 1 . 1 25 25 ARG HB2 H 1 1.870 . . 1 . . 318 . A 25 ARG HB2 . 31073 1
262 . 1 . 1 25 25 ARG HG2 H 1 1.686 . . 1 . . 364 . A 25 ARG HG2 . 31073 1
263 . 1 . 1 25 25 ARG HD2 H 1 3.156 . . 1 . . 363 . A 25 ARG HD2 . 31073 1
264 . 1 . 1 25 25 ARG N N 15 119.233 . . 1 . . 36 . A 25 ARG N . 31073 1
265 . 1 . 1 26 26 ARG H H 1 7.984 0.001 . 1 . . 9 . A 26 ARG H . 31073 1
266 . 1 . 1 26 26 ARG HA H 1 4.277 . . 1 . . 272 . A 26 ARG HA . 31073 1
267 . 1 . 1 26 26 ARG HB2 H 1 1.989 . . 2 . . 274 . A 26 ARG HB2 . 31073 1
268 . 1 . 1 26 26 ARG HB3 H 1 1.897 . . 2 . . 361 . A 26 ARG HB2 . 31073 1
269 . 1 . 1 26 26 ARG HG2 H 1 1.719 . . 2 . . 275 . A 26 ARG HG2 . 31073 1
270 . 1 . 1 26 26 ARG HG3 H 1 1.793 . . 2 . . 362 . A 26 ARG HG2 . 31073 1
271 . 1 . 1 26 26 ARG HD2 H 1 3.214 . . 1 . . 273 . A 26 ARG HD2 . 31073 1
272 . 1 . 1 26 26 ARG N N 15 118.744 . . 1 . . 10 . A 26 ARG N . 31073 1
273 . 1 . 1 27 27 SER H H 1 7.957 0.001 . 1 . . 23 . A 27 SER H . 31073 1
274 . 1 . 1 27 27 SER HA H 1 4.467 0.005 . 1 . . 72 . A 27 SER HA . 31073 1
275 . 1 . 1 27 27 SER HB2 H 1 4.026 0.001 . 2 . . 71 . A 27 SER HB2 . 31073 1
276 . 1 . 1 27 27 SER HB3 H 1 3.965 0.001 . 2 . . 70 . A 27 SER HB3 . 31073 1
277 . 1 . 1 27 27 SER CA C 13 59.360 . . 1 . . 125 . A 27 SER CA . 31073 1
278 . 1 . 1 27 27 SER CB C 13 63.853 0.001 . 1 . . 132 . A 27 SER CB . 31073 1
279 . 1 . 1 27 27 SER N N 15 114.648 . . 1 . . 24 . A 27 SER N . 31073 1
280 . 1 . 1 28 28 LEU H H 1 7.795 0.0 . 1 . . 15 . A 28 LEU H . 31073 1
281 . 1 . 1 28 28 LEU HA H 1 4.394 0.002 . 1 . . 65 . A 28 LEU HA . 31073 1
282 . 1 . 1 28 28 LEU HB2 H 1 1.663 0.0 . 2 . . 81 . A 28 LEU HB2 . 31073 1
283 . 1 . 1 28 28 LEU HB3 H 1 1.752 0.0 . 2 . . 79 . A 28 LEU HB3 . 31073 1
284 . 1 . 1 28 28 LEU HG H 1 1.761 0.001 . 1 . . 128 . A 28 LEU HG . 31073 1
285 . 1 . 1 28 28 LEU HD11 H 1 0.951 0.001 . 2 . . 64 . A 28 LEU HD11 . 31073 1
286 . 1 . 1 28 28 LEU HD12 H 1 0.951 0.001 . 2 . . 64 . A 28 LEU HD12 . 31073 1
287 . 1 . 1 28 28 LEU HD13 H 1 0.951 0.001 . 2 . . 64 . A 28 LEU HD13 . 31073 1
288 . 1 . 1 28 28 LEU HD21 H 1 0.910 0.001 . 2 . . 66 . A 28 LEU HD21 . 31073 1
289 . 1 . 1 28 28 LEU HD22 H 1 0.910 0.001 . 2 . . 66 . A 28 LEU HD22 . 31073 1
290 . 1 . 1 28 28 LEU HD23 H 1 0.910 0.001 . 2 . . 66 . A 28 LEU HD23 . 31073 1
291 . 1 . 1 28 28 LEU CA C 13 55.520 . . 1 . . 131 . A 28 LEU CA . 31073 1
292 . 1 . 1 28 28 LEU CB C 13 42.315 0.018 . 1 . . 80 . A 28 LEU CB . 31073 1
293 . 1 . 1 28 28 LEU CG C 13 26.725 . . 1 . . 129 . A 28 LEU CG . 31073 1
294 . 1 . 1 28 28 LEU CD1 C 13 24.638 0.0 . 2 . . 74 . A 28 LEU CD1 . 31073 1
295 . 1 . 1 28 28 LEU CD2 C 13 22.683 0.003 . 2 . . 73 . A 28 LEU CD2 . 31073 1
296 . 1 . 1 28 28 LEU N N 15 122.379 . . 1 . . 16 . A 28 LEU N . 31073 1
297 . 1 . 1 29 29 ARG H H 1 7.911 0.0 . 1 . . 54 . A 29 ARG H . 31073 1
298 . 1 . 1 29 29 ARG HA H 1 4.372 0.0 . 1 . . 89 . A 29 ARG HA . 31073 1
299 . 1 . 1 29 29 ARG HB2 H 1 1.928 . . 2 . . 270 . A 29 ARG HB2 . 31073 1
300 . 1 . 1 29 29 ARG HB3 H 1 1.852 . . 2 . . 269 . A 29 ARG HB3 . 31073 1
301 . 1 . 1 29 29 ARG HG3 H 1 1.645 . . 1 . . 268 . A 29 ARG HG3 . 31073 1
302 . 1 . 1 29 29 ARG HD2 H 1 3.228 0.001 . 1 . . 88 . A 29 ARG HD2 . 31073 1
303 . 1 . 1 29 29 ARG HE H 1 7.203 0.0 . 1 . . 271 . A 29 ARG HE . 31073 1
304 . 1 . 1 29 29 ARG CA C 13 55.911 . . 1 . . 355 . A 29 ARG CA . 31073 1
305 . 1 . 1 29 29 ARG N N 15 119.166 . . 1 . . 55 . A 29 ARG N . 31073 1
306 . 1 . 1 30 30 ARG H H 1 8.152 0.001 . 1 . . 21 . A 30 ARG H . 31073 1
307 . 1 . 1 30 30 ARG HA H 1 4.392 . . 1 . . 90 . A 30 ARG HA . 31073 1
308 . 1 . 1 30 30 ARG HB2 H 1 1.876 . . 2 . . 313 . A 30 ARG HB2 . 31073 1
309 . 1 . 1 30 30 ARG HB3 H 1 1.783 . . 2 . . 365 . A 30 ARG HB2 . 31073 1
310 . 1 . 1 30 30 ARG HG2 H 1 1.649 . . 2 . . 367 . A 30 ARG HG2 . 31073 1
311 . 1 . 1 30 30 ARG HG3 H 1 1.675 . . 2 . . 366 . A 30 ARG HG3 . 31073 1
312 . 1 . 1 30 30 ARG HD2 H 1 3.226 0.002 . 1 . . 104 . A 30 ARG HD2 . 31073 1
313 . 1 . 1 30 30 ARG HE H 1 7.312 . . 1 . . 368 . A 30 ARG HE . 31073 1
314 . 1 . 1 30 30 ARG CA C 13 55.911 . . 1 . . 356 . A 30 ARG CA . 31073 1
315 . 1 . 1 30 30 ARG N N 15 121.685 . . 1 . . 22 . A 30 ARG N . 31073 1
316 . 1 . 1 31 31 TYR H H 1 7.837 0.003 . 1 . . 56 . A 31 TYR H . 31073 1
317 . 1 . 1 31 31 TYR HA H 1 4.702 0.001 . 1 . . 95 . A 31 TYR HA . 31073 1
318 . 1 . 1 31 31 TYR HB2 H 1 2.882 0.0 . 2 . . 94 . A 31 TYR HB2 . 31073 1
319 . 1 . 1 31 31 TYR HB3 H 1 2.924 0.001 . 2 . . 93 . A 31 TYR HB3 . 31073 1
320 . 1 . 1 31 31 TYR HD1 H 1 7.136 0.001 . 1 . . 181 . A 31 TYR HD1 . 31073 1
321 . 1 . 1 31 31 TYR HD2 H 1 7.136 0.001 . 1 . . 181 . A 31 TYR HD2 . 31073 1
322 . 1 . 1 31 31 TYR HE1 H 1 6.865 0.001 . 1 . . 183 . A 31 TYR HE1 . 31073 1
323 . 1 . 1 31 31 TYR HE2 H 1 6.865 0.001 . 1 . . 183 . A 31 TYR HE2 . 31073 1
324 . 1 . 1 31 31 TYR CA C 13 55.948 . . 1 . . 317 . A 31 TYR CA . 31073 1
325 . 1 . 1 31 31 TYR CB C 13 40.906 0.007 . 1 . . 229 . A 31 TYR CB . 31073 1
326 . 1 . 1 31 31 TYR CD1 C 13 133.029 . . 1 . . 182 . A 31 TYR CD1 . 31073 1
327 . 1 . 1 31 31 TYR CD2 C 13 133.029 . . 1 . . 182 . A 31 TYR CD2 . 31073 1
328 . 1 . 1 31 31 TYR CE1 C 13 118.090 . . 1 . . 184 . A 31 TYR CE1 . 31073 1
329 . 1 . 1 31 31 TYR CE2 C 13 118.090 . . 1 . . 184 . A 31 TYR CE2 . 31073 1
330 . 1 . 1 31 31 TYR N N 15 121.443 . . 1 . . 57 . A 31 TYR N . 31073 1
331 . 1 . 1 32 32 PRO HA H 1 3.784 0.0 . 1 . . 96 . A 32 PRO HA . 31073 1
332 . 1 . 1 32 32 PRO HB2 H 1 1.923 . . 2 . . 214 . A 32 PRO HB2 . 31073 1
333 . 1 . 1 32 32 PRO HB3 H 1 1.970 . . 2 . . 212 . A 32 PRO HB3 . 31073 1
334 . 1 . 1 32 32 PRO HG2 H 1 1.743 . . 2 . . 217 . A 32 PRO HG2 . 31073 1
335 . 1 . 1 32 32 PRO HG3 H 1 1.802 . . 2 . . 215 . A 32 PRO HG3 . 31073 1
336 . 1 . 1 32 32 PRO HD2 H 1 3.389 0.004 . 2 . . 101 . A 32 PRO HD2 . 31073 1
337 . 1 . 1 32 32 PRO HD3 H 1 3.555 0.0 . 2 . . 100 . A 32 PRO HD3 . 31073 1
338 . 1 . 1 32 32 PRO CA C 13 64.889 . . 1 . . 210 . A 32 PRO CA . 31073 1
339 . 1 . 1 32 32 PRO CB C 13 33.676 0.031 . 1 . . 213 . A 32 PRO CB . 31073 1
340 . 1 . 1 32 32 PRO CG C 13 24.774 0.007 . 1 . . 216 . A 32 PRO CG . 31073 1
341 . 1 . 1 32 32 PRO CD C 13 49.474 0.013 . 1 . . 211 . A 32 PRO CD . 31073 1
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