data_52964
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52964
_Entry.Title
;
Vimentin Tail Domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2025-03-11
_Entry.Accession_date 2025-03-11
_Entry.Last_release_date 2025-03-11
_Entry.Original_release_date 2025-03-11
_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
_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 'NMR chemical shift measurements for the residue E405-E466 fragment of Vimentin from Homo Sapiens'
_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 Estely Carranza . J. . . 52964
2 Marie Heffern . C. . . 52964
3 Dylan Murray . T. . 0000-0002-2402-810X 52964
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'University of Connecticut, Storrs' . 52964
2 . 'University of California, Davis' . 52964
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52964
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 144 52964
'15N chemical shifts' 51 52964
'1H chemical shifts' 51 52964
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 . . 2025-03-19 . original BMRB . 52964
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52964
_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
;
Metal Ion Binding of Human Vimentin Tail Domain Fragments
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_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 .
_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 Estely Carranza . J. . . 52964 1
2 Marie Heffern . C. . . 52964 1
3 Dylan Murray . T. . . 52964 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'vimentin, C-terminal domain, metal binding, peptides, spectroscopy, nuclear magnetic resonance, intermediate filament' 52964 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52964
_Assembly.ID 1
_Assembly.Name 'Vimentin Tail Domain monomer'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_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 'Human Vimentin Tail Domain' 1 $entity_1 . . yes native no no . . . 52964 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52964
_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 .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GAMDPEGEESRISLPLPNFS
SLNLRETNLDSLPLVDTHSK
RTLLIKTVETRDGQVINETS
QHHDDLE
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq 'GAMDP is part of a purification tag, Vimentin fragment starts at EGEE...'
_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 67
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment 'Vimentin Tail Domain'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details
;
Residues 1-5 in BMRB numbering and 400-404 in our numbering are part of a purification tag.
The biological sequence starts at residue 6 (405) GLU.
;
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 yes GB AAA61279.1 . Vimentin . . . . . . . . . . . . . . 52964 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'class-III intermediate filament' 52964 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
1 400 GLY . 52964 1
2 401 ALA . 52964 1
3 402 MET . 52964 1
4 403 ASP . 52964 1
5 404 PRO . 52964 1
6 405 GLU . 52964 1
7 406 GLY . 52964 1
8 407 GLU . 52964 1
9 408 GLU . 52964 1
10 409 SER . 52964 1
11 410 ARG . 52964 1
12 411 ILE . 52964 1
13 412 SER . 52964 1
14 413 LEU . 52964 1
15 414 PRO . 52964 1
16 415 LEU . 52964 1
17 416 PRO . 52964 1
18 417 ASN . 52964 1
19 418 PHE . 52964 1
20 419 SER . 52964 1
21 420 SER . 52964 1
22 421 LEU . 52964 1
23 422 ASN . 52964 1
24 423 LEU . 52964 1
25 424 ARG . 52964 1
26 425 GLU . 52964 1
27 426 THR . 52964 1
28 427 ASN . 52964 1
29 428 LEU . 52964 1
30 429 ASP . 52964 1
31 430 SER . 52964 1
32 431 LEU . 52964 1
33 432 PRO . 52964 1
34 433 LEU . 52964 1
35 434 VAL . 52964 1
36 435 ASP . 52964 1
37 436 THR . 52964 1
38 437 HIS . 52964 1
39 438 SER . 52964 1
40 439 LYS . 52964 1
41 440 ARG . 52964 1
42 441 THR . 52964 1
43 442 LEU . 52964 1
44 443 LEU . 52964 1
45 444 ILE . 52964 1
46 445 LYS . 52964 1
47 446 THR . 52964 1
48 447 VAL . 52964 1
49 448 GLU . 52964 1
50 449 THR . 52964 1
51 450 ARG . 52964 1
52 451 ASP . 52964 1
53 452 GLY . 52964 1
54 453 GLN . 52964 1
55 454 VAL . 52964 1
56 455 ILE . 52964 1
57 456 ASN . 52964 1
58 457 GLU . 52964 1
59 458 THR . 52964 1
60 459 SER . 52964 1
61 460 GLN . 52964 1
62 461 HIS . 52964 1
63 462 HIS . 52964 1
64 463 ASP . 52964 1
65 464 ASP . 52964 1
66 465 LEU . 52964 1
67 466 GLU . 52964 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 52964 1
. ALA 2 2 52964 1
. MET 3 3 52964 1
. ASP 4 4 52964 1
. PRO 5 5 52964 1
. GLU 6 6 52964 1
. GLY 7 7 52964 1
. GLU 8 8 52964 1
. GLU 9 9 52964 1
. SER 10 10 52964 1
. ARG 11 11 52964 1
. ILE 12 12 52964 1
. SER 13 13 52964 1
. LEU 14 14 52964 1
. PRO 15 15 52964 1
. LEU 16 16 52964 1
. PRO 17 17 52964 1
. ASN 18 18 52964 1
. PHE 19 19 52964 1
. SER 20 20 52964 1
. SER 21 21 52964 1
. LEU 22 22 52964 1
. ASN 23 23 52964 1
. LEU 24 24 52964 1
. ARG 25 25 52964 1
. GLU 26 26 52964 1
. THR 27 27 52964 1
. ASN 28 28 52964 1
. LEU 29 29 52964 1
. ASP 30 30 52964 1
. SER 31 31 52964 1
. LEU 32 32 52964 1
. PRO 33 33 52964 1
. LEU 34 34 52964 1
. VAL 35 35 52964 1
. ASP 36 36 52964 1
. THR 37 37 52964 1
. HIS 38 38 52964 1
. SER 39 39 52964 1
. LYS 40 40 52964 1
. ARG 41 41 52964 1
. THR 42 42 52964 1
. LEU 43 43 52964 1
. LEU 44 44 52964 1
. ILE 45 45 52964 1
. LYS 46 46 52964 1
. THR 47 47 52964 1
. VAL 48 48 52964 1
. GLU 49 49 52964 1
. THR 50 50 52964 1
. ARG 51 51 52964 1
. ASP 52 52 52964 1
. GLY 53 53 52964 1
. GLN 54 54 52964 1
. VAL 55 55 52964 1
. ILE 56 56 52964 1
. ASN 57 57 52964 1
. GLU 58 58 52964 1
. THR 59 59 52964 1
. SER 60 60 52964 1
. GLN 61 61 52964 1
. HIS 62 62 52964 1
. HIS 63 63 52964 1
. ASP 64 64 52964 1
. ASP 65 65 52964 1
. LEU 66 66 52964 1
. GLU 67 67 52964 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52964
_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 . . . . . . . . . . . 'vimentin [homo sapiens]' . 52964 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52964
_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' . . . Escherichia coli BL21(DE3) . . plasmid . . 'pHIS VimT' . . . 52964 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52964
_Sample.ID 1
_Sample.Name '13C,15N-labeled Vimentin Tail Domain, pH 6.5'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details 'TEV-cleaved 13C,15N-labeled Vimentin Tail Domain'
_Sample.Aggregate_sample_number 1
_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 'Vimentin Tail Domain monomer' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 44 . . uM . . . . 52964 1
2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 52964 1
3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52964 1
4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 52964 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 52964
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'chemical shift measurement'
_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' 0.02 . M 52964 1
pH 6.5 . pH 52964 1
pressure 1 . atm 52964 1
temperature 298.2 . K 52964 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52964
_Software.ID 1
_Software.Type .
_Software.Name NMRFAM-SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52964 1
'data analysis' . 52964 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52964
_Software.ID 2
_Software.Type .
_Software.Name NMRPipe
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 52964 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 52964
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'UC Davis 600 MHz'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52964
_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 '2D 1H-15N HSQC' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52964 1
2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52964 1
3 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52964 1
4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52964 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 52964
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'Vimentin Tail Domain Chemical Shifts at pH 6.5 in phosphate buffer'
_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
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52964 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52964 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52964 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 52964
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Vimentin Tail Domain Chemical Shifts at pH 6.5 in phosphate buffer'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52964 1
2 '3D HNCO' . . . 52964 1
3 '3D HNCACB' . . . 52964 1
4 '3D CBCA(CO)NH' . . . 52964 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 . . 52964 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 GLY H H 1 8.441 . . 1 . . . . . 400 G HN . 52964 1
2 . 1 . 1 1 1 GLY CA C 13 45.246 . . 1 . . . . . 400 G CA . 52964 1
3 . 1 . 1 1 1 GLY N N 15 109.999 . . 1 . . . . . 400 G N . 52964 1
4 . 1 . 1 2 2 ALA C C 13 177.9 . . 1 . . . . . 401 A C . 52964 1
5 . 1 . 1 3 3 MET H H 1 8.489 . . 1 . . . . . 402 M HN . 52964 1
6 . 1 . 1 3 3 MET N N 15 117.798 . . 1 . . . . . 402 M N . 52964 1
7 . 1 . 1 4 4 ASP H H 1 8.113 . . 1 . . . . . 403 D HN . 52964 1
8 . 1 . 1 4 4 ASP N N 15 122.41 . . 1 . . . . . 403 D N . 52964 1
9 . 1 . 1 5 5 PRO C C 13 177.271 . . 1 . . . . . 404 P C . 52964 1
10 . 1 . 1 5 5 PRO CA C 13 63.562 . . 1 . . . . . 404 P CA . 52964 1
11 . 1 . 1 5 5 PRO CB C 13 32.073 . . 1 . . . . . 404 P CB . 52964 1
12 . 1 . 1 6 6 GLU H H 1 8.535 . . 1 . . . . . 405 E HN . 52964 1
13 . 1 . 1 6 6 GLU C C 13 177.174 . . 1 . . . . . 405 E C . 52964 1
14 . 1 . 1 6 6 GLU CA C 13 56.784 . . 1 . . . . . 405 E CA . 52964 1
15 . 1 . 1 6 6 GLU CB C 13 30.092 . . 1 . . . . . 405 E CB . 52964 1
16 . 1 . 1 6 6 GLU N N 15 120.172 . . 1 . . . . . 405 E N . 52964 1
17 . 1 . 1 7 7 GLY H H 1 8.289 . . 1 . . . . . 406 G HN . 52964 1
18 . 1 . 1 7 7 GLY C C 13 174.428 . . 1 . . . . . 406 G C . 52964 1
19 . 1 . 1 7 7 GLY CA C 13 45.338 . . 1 . . . . . 406 G CA . 52964 1
20 . 1 . 1 7 7 GLY N N 15 109.517 . . 1 . . . . . 406 G N . 52964 1
21 . 1 . 1 8 8 GLU H H 1 8.336 . . 1 . . . . . 407 E HN . 52964 1
22 . 1 . 1 8 8 GLU C C 13 177.081 . . 1 . . . . . 407 E C . 52964 1
23 . 1 . 1 8 8 GLU CA C 13 56.982 . . 1 . . . . . 407 E CA . 52964 1
24 . 1 . 1 8 8 GLU CB C 13 30.359 . . 1 . . . . . 407 E CB . 52964 1
25 . 1 . 1 8 8 GLU N N 15 120.895 . . 1 . . . . . 407 E N . 52964 1
26 . 1 . 1 9 9 GLU H H 1 8.641 . . 1 . . . . . 408 E HN . 52964 1
27 . 1 . 1 9 9 GLU C C 13 176.884 . . 1 . . . . . 408 E C . 52964 1
28 . 1 . 1 9 9 GLU CA C 13 57.281 . . 1 . . . . . 408 E CA . 52964 1
29 . 1 . 1 9 9 GLU CB C 13 30.011 . . 1 . . . . . 408 E CB . 52964 1
30 . 1 . 1 9 9 GLU N N 15 121.419 . . 1 . . . . . 408 E N . 52964 1
31 . 1 . 1 10 10 SER H H 1 8.251 . . 1 . . . . . 409 S HN . 52964 1
32 . 1 . 1 10 10 SER C C 13 174.683 . . 1 . . . . . 409 S C . 52964 1
33 . 1 . 1 10 10 SER CA C 13 58.694 . . 1 . . . . . 409 S CA . 52964 1
34 . 1 . 1 10 10 SER CB C 13 63.537 . . 1 . . . . . 409 S CB . 52964 1
35 . 1 . 1 10 10 SER N N 15 116.219 . . 1 . . . . . 409 S N . 52964 1
36 . 1 . 1 11 11 ARG H H 1 8.19 . . 1 . . . . . 410 R HN . 52964 1
37 . 1 . 1 11 11 ARG C C 13 176.213 . . 1 . . . . . 410 R C . 52964 1
38 . 1 . 1 11 11 ARG CA C 13 56.173 . . 1 . . . . . 410 R CA . 52964 1
39 . 1 . 1 11 11 ARG CB C 13 30.707 . . 1 . . . . . 410 R CB . 52964 1
40 . 1 . 1 11 11 ARG N N 15 122.87 . . 1 . . . . . 410 R N . 52964 1
41 . 1 . 1 12 12 ILE H H 1 8.027 . . 1 . . . . . 411 I HN . 52964 1
42 . 1 . 1 12 12 ILE C C 13 176.098 . . 1 . . . . . 411 I C . 52964 1
43 . 1 . 1 12 12 ILE CA C 13 61.251 . . 1 . . . . . 411 I CA . 52964 1
44 . 1 . 1 12 12 ILE CB C 13 38.8 . . 1 . . . . . 411 I CB . 52964 1
45 . 1 . 1 12 12 ILE N N 15 121.143 . . 1 . . . . . 411 I N . 52964 1
46 . 1 . 1 13 13 SER H H 1 8.319 . . 1 . . . . . 412 S HN . 52964 1
47 . 1 . 1 13 13 SER C C 13 173.817 . . 1 . . . . . 412 S C . 52964 1
48 . 1 . 1 13 13 SER CA C 13 58.056 . . 1 . . . . . 412 S CA . 52964 1
49 . 1 . 1 13 13 SER CB C 13 63.743 . . 1 . . . . . 412 S CB . 52964 1
50 . 1 . 1 13 13 SER N N 15 120.044 . . 1 . . . . . 412 S N . 52964 1
51 . 1 . 1 14 14 LEU H H 1 8.196 . . 1 . . . . . 413 L HN . 52964 1
52 . 1 . 1 14 14 LEU CA C 13 52.938 . . 1 . . . . . 413 L CA . 52964 1
53 . 1 . 1 14 14 LEU CB C 13 41.944 . . 1 . . . . . 413 L CB . 52964 1
54 . 1 . 1 14 14 LEU N N 15 125.865 . . 1 . . . . . 413 L N . 52964 1
55 . 1 . 1 15 15 PRO C C 13 176.547 . . 1 . . . . . 414 P C . 52964 1
56 . 1 . 1 15 15 PRO CA C 13 62.7 . . 1 . . . . . 414 P CA . 52964 1
57 . 1 . 1 15 15 PRO CB C 13 31.862 . . 1 . . . . . 414 P CB . 52964 1
58 . 1 . 1 16 16 LEU H H 1 8.267 . . 1 . . . . . 415 L HN . 52964 1
59 . 1 . 1 16 16 LEU CA C 13 52.924 . . 1 . . . . . 415 L CA . 52964 1
60 . 1 . 1 16 16 LEU CB C 13 41.713 . . 1 . . . . . 415 L CB . 52964 1
61 . 1 . 1 16 16 LEU N N 15 123.675 . . 1 . . . . . 415 L N . 52964 1
62 . 1 . 1 21 21 SER C C 13 174.584 . . 1 . . . . . 420 S C . 52964 1
63 . 1 . 1 22 22 LEU H H 1 8.078 . . 1 . . . . . 421 L HN . 52964 1
64 . 1 . 1 22 22 LEU C C 13 177.037 . . 1 . . . . . 421 L C . 52964 1
65 . 1 . 1 22 22 LEU CA C 13 55.687 . . 1 . . . . . 421 L CA . 52964 1
66 . 1 . 1 22 22 LEU CB C 13 42.337 . . 1 . . . . . 421 L CB . 52964 1
67 . 1 . 1 22 22 LEU N N 15 123.179 . . 1 . . . . . 421 L N . 52964 1
68 . 1 . 1 23 23 ASN H H 1 8.314 . . 1 . . . . . 422 N HN . 52964 1
69 . 1 . 1 23 23 ASN C C 13 175.118 . . 1 . . . . . 422 N C . 52964 1
70 . 1 . 1 23 23 ASN CA C 13 53.253 . . 1 . . . . . 422 N CA . 52964 1
71 . 1 . 1 23 23 ASN CB C 13 38.527 . . 1 . . . . . 422 N CB . 52964 1
72 . 1 . 1 23 23 ASN N N 15 118.714 . . 1 . . . . . 422 N N . 52964 1
73 . 1 . 1 24 24 LEU H H 1 8.192 . . 1 . . . . . 423 L HN . 52964 1
74 . 1 . 1 24 24 LEU C C 13 177.31 . . 1 . . . . . 423 L C . 52964 1
75 . 1 . 1 24 24 LEU CA C 13 55.362 . . 1 . . . . . 423 L CA . 52964 1
76 . 1 . 1 24 24 LEU CB C 13 42.162 . . 1 . . . . . 423 L CB . 52964 1
77 . 1 . 1 24 24 LEU N N 15 120.978 . . 1 . . . . . 423 L N . 52964 1
78 . 1 . 1 25 25 ARG H H 1 8.229 . . 1 . . . . . 424 R HN . 52964 1
79 . 1 . 1 25 25 ARG C C 13 176.306 . . 1 . . . . . 424 R C . 52964 1
80 . 1 . 1 25 25 ARG CA C 13 56.218 . . 1 . . . . . 424 R CA . 52964 1
81 . 1 . 1 25 25 ARG CB C 13 30.765 . . 1 . . . . . 424 R CB . 52964 1
82 . 1 . 1 25 25 ARG N N 15 120.948 . . 1 . . . . . 424 R N . 52964 1
83 . 1 . 1 26 26 GLU H H 1 8.392 . . 1 . . . . . 425 E HN . 52964 1
84 . 1 . 1 26 26 GLU C C 13 176.557 . . 1 . . . . . 425 E C . 52964 1
85 . 1 . 1 26 26 GLU CA C 13 56.591 . . 1 . . . . . 425 E CA . 52964 1
86 . 1 . 1 26 26 GLU CB C 13 30.286 . . 1 . . . . . 425 E CB . 52964 1
87 . 1 . 1 26 26 GLU N N 15 121.532 . . 1 . . . . . 425 E N . 52964 1
88 . 1 . 1 27 27 THR H H 1 8.129 . . 1 . . . . . 426 T HN . 52964 1
89 . 1 . 1 27 27 THR C C 13 174.143 . . 1 . . . . . 426 T C . 52964 1
90 . 1 . 1 27 27 THR CA C 13 61.894 . . 1 . . . . . 426 T CA . 52964 1
91 . 1 . 1 27 27 THR CB C 13 69.993 . . 1 . . . . . 426 T CB . 52964 1
92 . 1 . 1 27 27 THR N N 15 114.592 . . 1 . . . . . 426 T N . 52964 1
93 . 1 . 1 28 28 ASN H H 1 8.499 . . 1 . . . . . 427 N HN . 52964 1
94 . 1 . 1 28 28 ASN C C 13 175.257 . . 1 . . . . . 427 N C . 52964 1
95 . 1 . 1 28 28 ASN CA C 13 53.28 . . 1 . . . . . 427 N CA . 52964 1
96 . 1 . 1 28 28 ASN CB C 13 38.683 . . 1 . . . . . 427 N CB . 52964 1
97 . 1 . 1 28 28 ASN N N 15 121.175 . . 1 . . . . . 427 N N . 52964 1
98 . 1 . 1 29 29 LEU H H 1 8.293 . . 1 . . . . . 428 L HN . 52964 1
99 . 1 . 1 29 29 LEU C C 13 177.357 . . 1 . . . . . 428 L C . 52964 1
100 . 1 . 1 29 29 LEU CA C 13 55.478 . . 1 . . . . . 428 L CA . 52964 1
101 . 1 . 1 29 29 LEU CB C 13 42.167 . . 1 . . . . . 428 L CB . 52964 1
102 . 1 . 1 29 29 LEU N N 15 122.693 . . 1 . . . . . 428 L N . 52964 1
103 . 1 . 1 30 30 ASP H H 1 8.275 . . 1 . . . . . 429 D HN . 52964 1
104 . 1 . 1 30 30 ASP C C 13 176.183 . . 1 . . . . . 429 D C . 52964 1
105 . 1 . 1 30 30 ASP CA C 13 54.643 . . 1 . . . . . 429 D CA . 52964 1
106 . 1 . 1 30 30 ASP CB C 13 41.067 . . 1 . . . . . 429 D CB . 52964 1
107 . 1 . 1 30 30 ASP N N 15 120.052 . . 1 . . . . . 429 D N . 52964 1
108 . 1 . 1 31 31 SER H H 1 8.011 . . 1 . . . . . 430 S HN . 52964 1
109 . 1 . 1 31 31 SER C C 13 174.074 . . 1 . . . . . 430 S C . 52964 1
110 . 1 . 1 31 31 SER CA C 13 58.092 . . 1 . . . . . 430 S CA . 52964 1
111 . 1 . 1 31 31 SER CB C 13 63.806 . . 1 . . . . . 430 S CB . 52964 1
112 . 1 . 1 31 31 SER N N 15 114.902 . . 1 . . . . . 430 S N . 52964 1
113 . 1 . 1 32 32 LEU H H 1 8.092 . . 1 . . . . . 431 L HN . 52964 1
114 . 1 . 1 32 32 LEU CA C 13 53.318 . . 1 . . . . . 431 L CA . 52964 1
115 . 1 . 1 32 32 LEU CB C 13 41.616 . . 1 . . . . . 431 L CB . 52964 1
116 . 1 . 1 32 32 LEU N N 15 125.004 . . 1 . . . . . 431 L N . 52964 1
117 . 1 . 1 33 33 PRO C C 13 175.049 . . 1 . . . . . 432 P C . 52964 1
118 . 1 . 1 34 34 LEU H H 1 8.114 . . 1 . . . . . 433 L HN . 52964 1
119 . 1 . 1 34 34 LEU C C 13 177.433 . . 1 . . . . . 433 L C . 52964 1
120 . 1 . 1 34 34 LEU CA C 13 55.4 . . 1 . . . . . 433 L CA . 52964 1
121 . 1 . 1 34 34 LEU CB C 13 42.1 . . 1 . . . . . 433 L CB . 52964 1
122 . 1 . 1 34 34 LEU N N 15 122.4 . . 1 . . . . . 433 L N . 52964 1
123 . 1 . 1 35 35 VAL H H 1 8.054 . . 1 . . . . . 434 V HN . 52964 1
124 . 1 . 1 35 35 VAL C C 13 175.622 . . 1 . . . . . 434 V C . 52964 1
125 . 1 . 1 35 35 VAL CA C 13 62.071 . . 1 . . . . . 434 V CA . 52964 1
126 . 1 . 1 35 35 VAL CB C 13 33.027 . . 1 . . . . . 434 V CB . 52964 1
127 . 1 . 1 35 35 VAL N N 15 120.685 . . 1 . . . . . 434 V N . 52964 1
128 . 1 . 1 36 36 ASP H H 1 8.412 . . 1 . . . . . 435 D HN . 52964 1
129 . 1 . 1 36 36 ASP C C 13 175.652 . . 1 . . . . . 435 D C . 52964 1
130 . 1 . 1 36 36 ASP CA C 13 54.103 . . 1 . . . . . 435 D CA . 52964 1
131 . 1 . 1 36 36 ASP CB C 13 41.365 . . 1 . . . . . 435 D CB . 52964 1
132 . 1 . 1 36 36 ASP N N 15 124.18 . . 1 . . . . . 435 D N . 52964 1
133 . 1 . 1 37 37 THR H H 1 8.386 . . 1 . . . . . 436 T HN . 52964 1
134 . 1 . 1 37 37 THR N N 15 120.57 . . 1 . . . . . 436 T N . 52964 1
135 . 1 . 1 41 41 ARG C C 13 176.493 . . 1 . . . . . 440 R C . 52964 1
136 . 1 . 1 42 42 THR H H 1 8.156 . . 1 . . . . . 441 T HN . 52964 1
137 . 1 . 1 42 42 THR C C 13 174.222 . . 1 . . . . . 441 T C . 52964 1
138 . 1 . 1 42 42 THR CB C 13 69.649 . . 1 . . . . . 441 T CB . 52964 1
139 . 1 . 1 42 42 THR N N 15 115.851 . . 1 . . . . . 441 T N . 52964 1
140 . 1 . 1 43 43 LEU H H 1 8.193 . . 1 . . . . . 442 L HN . 52964 1
141 . 1 . 1 43 43 LEU C C 13 176.748 . . 1 . . . . . 442 L C . 52964 1
142 . 1 . 1 43 43 LEU CA C 13 55.167 . . 1 . . . . . 442 L CA . 52964 1
143 . 1 . 1 43 43 LEU CB C 13 42.319 . . 1 . . . . . 442 L CB . 52964 1
144 . 1 . 1 43 43 LEU N N 15 124.866 . . 1 . . . . . 442 L N . 52964 1
145 . 1 . 1 44 44 LEU H H 1 8.173 . . 1 . . . . . 443 L HN . 52964 1
146 . 1 . 1 44 44 LEU C C 13 176.794 . . 1 . . . . . 443 L C . 52964 1
147 . 1 . 1 44 44 LEU CA C 13 55.167 . . 1 . . . . . 443 L CA . 52964 1
148 . 1 . 1 44 44 LEU CB C 13 42.319 . . 1 . . . . . 443 L CB . 52964 1
149 . 1 . 1 44 44 LEU N N 15 123.5 . . 1 . . . . . 443 L N . 52964 1
150 . 1 . 1 45 45 ILE H H 1 8.053 . . 1 . . . . . 444 I HN . 52964 1
151 . 1 . 1 45 45 ILE C C 13 175.902 . . 1 . . . . . 444 I C . 52964 1
152 . 1 . 1 45 45 ILE CA C 13 60.836 . . 1 . . . . . 444 I CA . 52964 1
153 . 1 . 1 45 45 ILE CB C 13 38.733 . . 1 . . . . . 444 I CB . 52964 1
154 . 1 . 1 45 45 ILE N N 15 122.436 . . 1 . . . . . 444 I N . 52964 1
155 . 1 . 1 46 46 LYS H H 1 8.402 . . 1 . . . . . 445 K HN . 52964 1
156 . 1 . 1 46 46 LYS C C 13 176.379 . . 1 . . . . . 445 K C . 52964 1
157 . 1 . 1 46 46 LYS CA C 13 56.233 . . 1 . . . . . 445 K CA . 52964 1
158 . 1 . 1 46 46 LYS CB C 13 33.248 . . 1 . . . . . 445 K CB . 52964 1
159 . 1 . 1 46 46 LYS N N 15 125.982 . . 1 . . . . . 445 K N . 52964 1
160 . 1 . 1 47 47 THR H H 1 8.226 . . 1 . . . . . 446 T HN . 52964 1
161 . 1 . 1 47 47 THR C C 13 174.313 . . 1 . . . . . 446 T C . 52964 1
162 . 1 . 1 47 47 THR CA C 13 61.842 . . 1 . . . . . 446 T CA . 52964 1
163 . 1 . 1 47 47 THR CB C 13 69.924 . . 1 . . . . . 446 T CB . 52964 1
164 . 1 . 1 47 47 THR N N 15 116.848 . . 1 . . . . . 446 T N . 52964 1
165 . 1 . 1 48 48 VAL H H 1 8.236 . . 1 . . . . . 447 V HN . 52964 1
166 . 1 . 1 48 48 VAL C C 13 175.768 . . 1 . . . . . 447 V C . 52964 1
167 . 1 . 1 48 48 VAL CA C 13 62.073 . . 1 . . . . . 447 V CA . 52964 1
168 . 1 . 1 48 48 VAL CB C 13 32.973 . . 1 . . . . . 447 V CB . 52964 1
169 . 1 . 1 48 48 VAL N N 15 122.317 . . 1 . . . . . 447 V N . 52964 1
170 . 1 . 1 49 49 GLU H H 1 8.539 . . 1 . . . . . 448 E HN . 52964 1
171 . 1 . 1 49 49 GLU C C 13 176.437 . . 1 . . . . . 448 E C . 52964 1
172 . 1 . 1 49 49 GLU CA C 13 56.297 . . 1 . . . . . 448 E CA . 52964 1
173 . 1 . 1 49 49 GLU CB C 13 30.662 . . 1 . . . . . 448 E CB . 52964 1
174 . 1 . 1 49 49 GLU N N 15 124.966 . . 1 . . . . . 448 E N . 52964 1
175 . 1 . 1 50 50 THR H H 1 8.264 . . 1 . . . . . 449 T HN . 52964 1
176 . 1 . 1 50 50 THR CA C 13 61.656 . . 1 . . . . . 449 T CA . 52964 1
177 . 1 . 1 50 50 THR CB C 13 70.164 . . 1 . . . . . 449 T CB . 52964 1
178 . 1 . 1 50 50 THR N N 15 115.741 . . 1 . . . . . 449 T N . 52964 1
179 . 1 . 1 51 51 ARG C C 13 176.037 . . 1 . . . . . 450 R C . 52964 1
180 . 1 . 1 52 52 ASP H H 1 8.463 . . 1 . . . . . 451 D HN . 52964 1
181 . 1 . 1 52 52 ASP C C 13 176.667 . . 1 . . . . . 451 D C . 52964 1
182 . 1 . 1 52 52 ASP CA C 13 54.631 . . 1 . . . . . 451 D CA . 52964 1
183 . 1 . 1 52 52 ASP CB C 13 41.018 . . 1 . . . . . 451 D CB . 52964 1
184 . 1 . 1 52 52 ASP N N 15 121.63 . . 1 . . . . . 451 D N . 52964 1
185 . 1 . 1 53 53 GLY H H 1 8.375 . . 1 . . . . . 452 G HN . 52964 1
186 . 1 . 1 53 53 GLY C C 13 174.156 . . 1 . . . . . 452 G C . 52964 1
187 . 1 . 1 53 53 GLY CA C 13 45.504 . . 1 . . . . . 452 G CA . 52964 1
188 . 1 . 1 53 53 GLY N N 15 108.726 . . 1 . . . . . 452 G N . 52964 1
189 . 1 . 1 54 54 GLN H H 1 8.085 . . 1 . . . . . 453 Q HN . 52964 1
190 . 1 . 1 54 54 GLN CA C 13 55.652 . . 1 . . . . . 453 Q CA . 52964 1
191 . 1 . 1 54 54 GLN CB C 13 29.818 . . 1 . . . . . 453 Q CB . 52964 1
192 . 1 . 1 54 54 GLN N N 15 119.726 . . 1 . . . . . 453 Q N . 52964 1
193 . 1 . 1 55 55 VAL H H 1 8.287 . . 1 . . . . . 454 V HN . 52964 1
194 . 1 . 1 55 55 VAL C C 13 176.056 . . 1 . . . . . 454 V C . 52964 1
195 . 1 . 1 55 55 VAL CA C 13 62.734 . . 1 . . . . . 454 V CA . 52964 1
196 . 1 . 1 55 55 VAL CB C 13 32.49 . . 1 . . . . . 454 V CB . 52964 1
197 . 1 . 1 55 55 VAL N N 15 122.41 . . 1 . . . . . 454 V N . 52964 1
198 . 1 . 1 56 56 ILE H H 1 8.337 . . 1 . . . . . 455 I HN . 52964 1
199 . 1 . 1 56 56 ILE C C 13 175.646 . . 1 . . . . . 455 I C . 52964 1
200 . 1 . 1 56 56 ILE CA C 13 60.835 . . 1 . . . . . 455 I CA . 52964 1
201 . 1 . 1 56 56 ILE CB C 13 38.785 . . 1 . . . . . 455 I CB . 52964 1
202 . 1 . 1 56 56 ILE N N 15 125.408 . . 1 . . . . . 455 I N . 52964 1
203 . 1 . 1 57 57 ASN H H 1 8.53 . . 1 . . . . . 456 N HN . 52964 1
204 . 1 . 1 57 57 ASN C C 13 175.044 . . 1 . . . . . 456 N C . 52964 1
205 . 1 . 1 57 57 ASN CA C 13 53.102 . . 1 . . . . . 456 N CA . 52964 1
206 . 1 . 1 57 57 ASN CB C 13 39.091 . . 1 . . . . . 456 N CB . 52964 1
207 . 1 . 1 57 57 ASN N N 15 123.222 . . 1 . . . . . 456 N N . 52964 1
208 . 1 . 1 58 58 GLU H H 1 8.538 . . 1 . . . . . 457 E HN . 52964 1
209 . 1 . 1 58 58 GLU C C 13 176.713 . . 1 . . . . . 457 E C . 52964 1
210 . 1 . 1 58 58 GLU CA C 13 56.954 . . 1 . . . . . 457 E CA . 52964 1
211 . 1 . 1 58 58 GLU CB C 13 30.35 . . 1 . . . . . 457 E CB . 52964 1
212 . 1 . 1 58 58 GLU N N 15 122.18 . . 1 . . . . . 457 E N . 52964 1
213 . 1 . 1 59 59 THR H H 1 8.27 . . 1 . . . . . 458 T HN . 52964 1
214 . 1 . 1 59 59 THR C C 13 174.701 . . 1 . . . . . 458 T C . 52964 1
215 . 1 . 1 59 59 THR CA C 13 62.087 . . 1 . . . . . 458 T CA . 52964 1
216 . 1 . 1 59 59 THR CB C 13 69.799 . . 1 . . . . . 458 T CB . 52964 1
217 . 1 . 1 59 59 THR N N 15 114.694 . . 1 . . . . . 458 T N . 52964 1
218 . 1 . 1 60 60 SER H H 1 8.295 . . 1 . . . . . 459 S HN . 52964 1
219 . 1 . 1 60 60 SER C C 13 174.326 . . 1 . . . . . 459 S C . 52964 1
220 . 1 . 1 60 60 SER CA C 13 58.496 . . 1 . . . . . 459 S CA . 52964 1
221 . 1 . 1 60 60 SER CB C 13 63.736 . . 1 . . . . . 459 S CB . 52964 1
222 . 1 . 1 60 60 SER N N 15 117.996 . . 1 . . . . . 459 S N . 52964 1
223 . 1 . 1 61 61 GLN H H 1 8.331 . . 1 . . . . . 460 Q HN . 52964 1
224 . 1 . 1 61 61 GLN CA C 13 55.886 . . 1 . . . . . 460 Q CA . 52964 1
225 . 1 . 1 61 61 GLN CB C 13 29.612 . . 1 . . . . . 460 Q CB . 52964 1
226 . 1 . 1 61 61 GLN N N 15 121.816 . . 1 . . . . . 460 Q N . 52964 1
227 . 1 . 1 63 63 HIS C C 13 174.283 . . 1 . . . . . 462 H C . 52964 1
228 . 1 . 1 64 64 ASP H H 1 8.497 . . 1 . . . . . 463 D HN . 52964 1
229 . 1 . 1 64 64 ASP C C 13 175.698 . . 1 . . . . . 463 D C . 52964 1
230 . 1 . 1 64 64 ASP CA C 13 54.441 . . 1 . . . . . 463 D CA . 52964 1
231 . 1 . 1 64 64 ASP CB C 13 41.32 . . 1 . . . . . 463 D CB . 52964 1
232 . 1 . 1 64 64 ASP N N 15 122.06 . . 1 . . . . . 463 D N . 52964 1
233 . 1 . 1 65 65 ASP H H 1 8.396 . . 1 . . . . . 464 D HN . 52964 1
234 . 1 . 1 65 65 ASP C C 13 175.983 . . 1 . . . . . 464 D C . 52964 1
235 . 1 . 1 65 65 ASP CA C 13 54.5 . . 1 . . . . . 464 D CA . 52964 1
236 . 1 . 1 65 65 ASP CB C 13 41.121 . . 1 . . . . . 464 D CB . 52964 1
237 . 1 . 1 65 65 ASP N N 15 120.345 . . 1 . . . . . 464 D N . 52964 1
238 . 1 . 1 66 66 LEU H H 1 8.18 . . 1 . . . . . 465 L HN . 52964 1
239 . 1 . 1 66 66 LEU C C 13 176.544 . . 1 . . . . . 465 L C . 52964 1
240 . 1 . 1 66 66 LEU CA C 13 55.078 . . 1 . . . . . 465 L CA . 52964 1
241 . 1 . 1 66 66 LEU CB C 13 42.446 . . 1 . . . . . 465 L CB . 52964 1
242 . 1 . 1 66 66 LEU N N 15 122.009 . . 1 . . . . . 465 L N . 52964 1
243 . 1 . 1 67 67 GLU H H 1 7.863 . . 1 . . . . . 466 E HN . 52964 1
244 . 1 . 1 67 67 GLU CA C 13 58.034 . . 1 . . . . . 466 E CA . 52964 1
245 . 1 . 1 67 67 GLU CB C 13 31.247 . . 1 . . . . . 466 E CB . 52964 1
246 . 1 . 1 67 67 GLU N N 15 126.25 . . 1 . . . . . 466 E N . 52964 1
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