data_52033
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52033
_Entry.Title
;
Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-07-13
_Entry.Accession_date 2023-07-13
_Entry.Last_release_date 2023-07-13
_Entry.Original_release_date 2023-07-13
_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 1
_Entry.Generated_software_label $software_1
_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 Julian Hubner . . . . 52033
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52033
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 112 52033
'15N chemical shifts' 58 52033
'1H chemical shifts' 58 52033
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 . . 2023-07-21 . original BMRB . 52033
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 51649 'Ded1p RecA2 domain' 52033
BMRB 51650 'Ded1p N-term IDR' 52033
BMRB 52030 'Ded1p C-terminal IDR' 52033
BMRB 52031 'Ded1p C-terminal IDR R540K, R544K, F548G, R545K, R550K, R554K, Y556G, R557K, W567G, R571K, R573K, F577G, R578K, W583G, W592G' 52033
BMRB 52032 'Ded1p C-terminal IDR R540G, R544G, R545G, R550G, R554G, R557G, R571G, R573G, R578G' 52033
BMRB 52034 'Ded1p Reca1 domain' 52033
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52033
_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
;
Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'to be published'
_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 Julian Hubner . . . . 52033 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52033
_Assembly.ID 1
_Assembly.Name 'Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K'
_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 'Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K' 1 $entity_1 . . yes native no no . . . 52033 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52033
_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
;
MMSAPGSKSNSKKGGFGKNN
NKDYKKAGGASAGGWGSSKS
KDNSFKGGSGWGSDSKSSGW
GNSGGSNNSSWW
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 72
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_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
1 533 MET . 52033 1
2 534 MET . 52033 1
3 535 SER . 52033 1
4 536 ALA . 52033 1
5 537 PRO . 52033 1
6 538 GLY . 52033 1
7 539 SER . 52033 1
8 540 LYS . 52033 1
9 541 SER . 52033 1
10 542 ASN . 52033 1
11 543 SER . 52033 1
12 544 LYS . 52033 1
13 545 LYS . 52033 1
14 546 GLY . 52033 1
15 547 GLY . 52033 1
16 548 PHE . 52033 1
17 549 GLY . 52033 1
18 550 LYS . 52033 1
19 551 ASN . 52033 1
20 552 ASN . 52033 1
21 553 ASN . 52033 1
22 554 LYS . 52033 1
23 555 ASP . 52033 1
24 556 TYR . 52033 1
25 557 LYS . 52033 1
26 558 LYS . 52033 1
27 559 ALA . 52033 1
28 560 GLY . 52033 1
29 661 GLY . 52033 1
30 562 ALA . 52033 1
31 563 SER . 52033 1
32 564 ALA . 52033 1
33 565 GLY . 52033 1
34 566 GLY . 52033 1
35 567 TRP . 52033 1
36 568 GLY . 52033 1
37 569 SER . 52033 1
38 570 SER . 52033 1
39 571 LYS . 52033 1
40 572 SER . 52033 1
41 573 LYS . 52033 1
42 574 ASP . 52033 1
43 575 ASN . 52033 1
44 576 SER . 52033 1
45 577 PHE . 52033 1
46 578 LYS . 52033 1
47 579 GLY . 52033 1
48 580 GLY . 52033 1
49 581 SER . 52033 1
50 582 GLY . 52033 1
51 583 TRP . 52033 1
52 584 GLY . 52033 1
53 585 SER . 52033 1
54 586 ASP . 52033 1
55 587 SER . 52033 1
56 588 LYS . 52033 1
57 589 SER . 52033 1
58 590 SER . 52033 1
59 591 GLY . 52033 1
60 592 TRP . 52033 1
61 593 GLY . 52033 1
62 594 ASN . 52033 1
63 595 SER . 52033 1
64 596 GLY . 52033 1
65 597 GLY . 52033 1
66 598 SER . 52033 1
67 599 ASN . 52033 1
68 600 ASN . 52033 1
69 601 SER . 52033 1
70 602 SER . 52033 1
71 603 TRP . 52033 1
72 604 TRP . 52033 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
. MET 1 1 52033 1
. MET 2 2 52033 1
. SER 3 3 52033 1
. ALA 4 4 52033 1
. PRO 5 5 52033 1
. GLY 6 6 52033 1
. SER 7 7 52033 1
. LYS 8 8 52033 1
. SER 9 9 52033 1
. ASN 10 10 52033 1
. SER 11 11 52033 1
. LYS 12 12 52033 1
. LYS 13 13 52033 1
. GLY 14 14 52033 1
. GLY 15 15 52033 1
. PHE 16 16 52033 1
. GLY 17 17 52033 1
. LYS 18 18 52033 1
. ASN 19 19 52033 1
. ASN 20 20 52033 1
. ASN 21 21 52033 1
. LYS 22 22 52033 1
. ASP 23 23 52033 1
. TYR 24 24 52033 1
. LYS 25 25 52033 1
. LYS 26 26 52033 1
. ALA 27 27 52033 1
. GLY 28 28 52033 1
. GLY 29 29 52033 1
. ALA 30 30 52033 1
. SER 31 31 52033 1
. ALA 32 32 52033 1
. GLY 33 33 52033 1
. GLY 34 34 52033 1
. TRP 35 35 52033 1
. GLY 36 36 52033 1
. SER 37 37 52033 1
. SER 38 38 52033 1
. LYS 39 39 52033 1
. SER 40 40 52033 1
. LYS 41 41 52033 1
. ASP 42 42 52033 1
. ASN 43 43 52033 1
. SER 44 44 52033 1
. PHE 45 45 52033 1
. LYS 46 46 52033 1
. GLY 47 47 52033 1
. GLY 48 48 52033 1
. SER 49 49 52033 1
. GLY 50 50 52033 1
. TRP 51 51 52033 1
. GLY 52 52 52033 1
. SER 53 53 52033 1
. ASP 54 54 52033 1
. SER 55 55 52033 1
. LYS 56 56 52033 1
. SER 57 57 52033 1
. SER 58 58 52033 1
. GLY 59 59 52033 1
. TRP 60 60 52033 1
. GLY 61 61 52033 1
. ASN 62 62 52033 1
. SER 63 63 52033 1
. GLY 64 64 52033 1
. GLY 65 65 52033 1
. SER 66 66 52033 1
. ASN 67 67 52033 1
. ASN 68 68 52033 1
. SER 69 69 52033 1
. SER 70 70 52033 1
. TRP 71 71 52033 1
. TRP 72 72 52033 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 52033
_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 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 52033 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 52033
_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 . . . plasmid . . pET-GB1 . . . 52033 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52033
_Sample.ID 1
_Sample.Name 'Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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 'Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K' '[U-13C; U-15N]' . . 1 $entity_1 . . 500 . . uM . . . . 52033 1
2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 52033 1
3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 52033 1
4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 52033 1
5 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 52033 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 52033
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K'
_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' 0.125 . M 52033 1
pH 7.3 . pH 52033 1
pressure 1 . atm 52033 1
temperature 277 . K 52033 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52033
_Software.ID 1
_Software.Type .
_Software.Name CARA
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52033 1
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 52033
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker AVANCE NEO 500 MHz'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE NEO'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
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 52033
_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 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52033 1
2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52033 1
3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52033 1
4 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52033 1
5 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52033 1
6 '3D C(CO)NH' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52033 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 52033
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'Ded1p C-terminal IDR R540K, R544K, R545K, R550K, R554K, R557K, R571K, R573K, R578K'
_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 water protons . . . . ppm 4.698 internal indirect . . . . . . 52033 1
H 1 water protons . . . . ppm 4.698 internal direct 1 . . . . . 52033 1
N 15 water protons . . . . ppm 4.698 internal indirect . . . . . . 52033 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 52033
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chemical_shifts
_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 '3D HNCO' . . . 52033 1
2 '3D HNCACB' . . . 52033 1
3 '3D HN(CA)CO' . . . 52033 1
4 '2D 1H-15N HSQC' . . . 52033 1
5 '3D HN(CO)CACB' . . . 52033 1
6 '3D C(CO)NH' . . . 52033 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 . . 52033 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 MET H H 1 8.273 0.020 . 1 . . . . . 533 MET H . 52033 1
2 . 1 . 1 1 1 MET C C 13 176.408 0.3 . 1 . . . . . 533 MET C . 52033 1
3 . 1 . 1 1 1 MET CA C 13 55.511 0.3 . 1 . . . . . 533 MET CA . 52033 1
4 . 1 . 1 1 1 MET N N 15 120.042 0.3 . 1 . . . . . 533 MET N . 52033 1
5 . 1 . 1 2 2 MET H H 1 8.337 0.020 . 1 . . . . . 534 MET H . 52033 1
6 . 1 . 1 2 2 MET C C 13 176.057 0.3 . 1 . . . . . 534 MET C . 52033 1
7 . 1 . 1 2 2 MET CA C 13 55.243 0.3 . 1 . . . . . 534 MET CA . 52033 1
8 . 1 . 1 2 2 MET N N 15 122.092 0.3 . 1 . . . . . 534 MET N . 52033 1
9 . 1 . 1 3 3 SER H H 1 8.091 0.020 . 1 . . . . . 535 SER H . 52033 1
10 . 1 . 1 3 3 SER CA C 13 57.991 0.3 . 1 . . . . . 535 SER CA . 52033 1
11 . 1 . 1 3 3 SER N N 15 117.308 0.3 . 1 . . . . . 535 SER N . 52033 1
12 . 1 . 1 4 4 ALA H H 1 8.191 0.020 . 1 . . . . . 536 ALA H . 52033 1
13 . 1 . 1 4 4 ALA C C 13 175.533 0.3 . 1 . . . . . 536 ALA C . 52033 1
14 . 1 . 1 4 4 ALA CA C 13 50.485 0.3 . 1 . . . . . 536 ALA CA . 52033 1
15 . 1 . 1 4 4 ALA N N 15 126.946 0.3 . 1 . . . . . 536 ALA N . 52033 1
16 . 1 . 1 6 6 GLY H H 1 8.355 0.020 . 1 . . . . . 538 GLY H . 52033 1
17 . 1 . 1 6 6 GLY C C 13 174.263 0.3 . 1 . . . . . 538 GLY C . 52033 1
18 . 1 . 1 6 6 GLY CA C 13 44.924 0.3 . 1 . . . . . 538 GLY CA . 52033 1
19 . 1 . 1 6 6 GLY N N 15 109.584 0.3 . 1 . . . . . 538 GLY N . 52033 1
20 . 1 . 1 8 8 LYS H H 1 8.273 0.020 . 1 . . . . . 540 LYS H . 52033 1
21 . 1 . 1 8 8 LYS C C 13 176.770 0.3 . 1 . . . . . 540 LYS C . 52033 1
22 . 1 . 1 8 8 LYS CA C 13 56.315 0.3 . 1 . . . . . 540 LYS CA . 52033 1
23 . 1 . 1 8 8 LYS N N 15 123.118 0.3 . 1 . . . . . 540 LYS N . 52033 1
24 . 1 . 1 9 9 SER H H 1 8.103 0.020 . 1 . . . . . 541 SER H . 52033 1
25 . 1 . 1 9 9 SER CA C 13 58.326 0.3 . 1 . . . . . 541 SER CA . 52033 1
26 . 1 . 1 9 9 SER N N 15 116.419 0.3 . 1 . . . . . 541 SER N . 52033 1
27 . 1 . 1 11 11 SER H H 1 7.927 0.020 . 1 . . . . . 543 SER H . 52033 1
28 . 1 . 1 11 11 SER C C 13 174.597 0.3 . 1 . . . . . 543 SER C . 52033 1
29 . 1 . 1 11 11 SER CA C 13 58.326 0.3 . 1 . . . . . 543 SER CA . 52033 1
30 . 1 . 1 11 11 SER N N 15 115.762 0.3 . 1 . . . . . 543 SER N . 52033 1
31 . 1 . 1 12 12 LYS H H 1 8.079 0.020 . 1 . . . . . 544 LYS H . 52033 1
32 . 1 . 1 12 12 LYS C C 13 176.586 0.3 . 1 . . . . . 544 LYS C . 52033 1
33 . 1 . 1 12 12 LYS CA C 13 56.248 0.3 . 1 . . . . . 544 LYS CA . 52033 1
34 . 1 . 1 12 12 LYS N N 15 122.844 0.3 . 1 . . . . . 544 LYS N . 52033 1
35 . 1 . 1 13 13 LYS H H 1 8.109 0.020 . 1 . . . . . 545 LYS H . 52033 1
36 . 1 . 1 13 13 LYS C C 13 177.010 0.3 . 1 . . . . . 545 LYS C . 52033 1
37 . 1 . 1 13 13 LYS CA C 13 56.315 0.3 . 1 . . . . . 545 LYS CA . 52033 1
38 . 1 . 1 13 13 LYS N N 15 122.503 0.3 . 1 . . . . . 545 LYS N . 52033 1
39 . 1 . 1 14 14 GLY H H 1 8.188 0.020 . 1 . . . . . 546 GLY H . 52033 1
40 . 1 . 1 14 14 GLY C C 13 174.268 0.3 . 1 . . . . . 546 GLY C . 52033 1
41 . 1 . 1 14 14 GLY CA C 13 44.924 0.3 . 1 . . . . . 546 GLY CA . 52033 1
42 . 1 . 1 14 14 GLY N N 15 110.122 0.3 . 1 . . . . . 546 GLY N . 52033 1
43 . 1 . 1 16 16 PHE H H 1 8.003 0.020 . 1 . . . . . 548 PHE H . 52033 1
44 . 1 . 1 16 16 PHE C C 13 176.386 0.3 . 1 . . . . . 548 PHE C . 52033 1
45 . 1 . 1 16 16 PHE CA C 13 57.856 0.3 . 1 . . . . . 548 PHE CA . 52033 1
46 . 1 . 1 16 16 PHE N N 15 119.632 0.3 . 1 . . . . . 548 PHE N . 52033 1
47 . 1 . 1 18 18 LYS H H 1 7.953 0.020 . 1 . . . . . 550 LYS H . 52033 1
48 . 1 . 1 18 18 LYS C C 13 176.369 0.3 . 1 . . . . . 550 LYS C . 52033 1
49 . 1 . 1 18 18 LYS CA C 13 56.248 0.3 . 1 . . . . . 550 LYS CA . 52033 1
50 . 1 . 1 18 18 LYS N N 15 120.560 0.3 . 1 . . . . . 550 LYS N . 52033 1
51 . 1 . 1 19 19 ASN H H 1 8.285 0.020 . 1 . . . . . 551 ASN H . 52033 1
52 . 1 . 1 19 19 ASN C C 13 174.759 0.3 . 1 . . . . . 551 ASN C . 52033 1
53 . 1 . 1 19 19 ASN CA C 13 53.032 0.3 . 1 . . . . . 551 ASN CA . 52033 1
54 . 1 . 1 19 19 ASN N N 15 119.017 0.3 . 1 . . . . . 551 ASN N . 52033 1
55 . 1 . 1 20 20 ASN H H 1 8.152 0.020 . 1 . . . . . 552 ASN H . 52033 1
56 . 1 . 1 20 20 ASN C C 13 174.803 0.3 . 1 . . . . . 552 ASN C . 52033 1
57 . 1 . 1 20 20 ASN CA C 13 53.099 0.3 . 1 . . . . . 552 ASN CA . 52033 1
58 . 1 . 1 20 20 ASN N N 15 119.097 0.3 . 1 . . . . . 552 ASN N . 52033 1
59 . 1 . 1 21 21 ASN H H 1 8.144 0.020 . 1 . . . . . 553 ASN H . 52033 1
60 . 1 . 1 21 21 ASN C C 13 175.416 0.3 . 1 . . . . . 553 ASN C . 52033 1
61 . 1 . 1 21 21 ASN CA C 13 53.300 0.3 . 1 . . . . . 553 ASN CA . 52033 1
62 . 1 . 1 21 21 ASN N N 15 118.880 0.3 . 1 . . . . . 553 ASN N . 52033 1
63 . 1 . 1 22 22 LYS H H 1 8.079 0.020 . 1 . . . . . 554 LYS H . 52033 1
64 . 1 . 1 22 22 LYS C C 13 176.074 0.3 . 1 . . . . . 554 LYS C . 52033 1
65 . 1 . 1 22 22 LYS CA C 13 56.583 0.3 . 1 . . . . . 554 LYS CA . 52033 1
66 . 1 . 1 22 22 LYS N N 15 121.341 0.3 . 1 . . . . . 554 LYS N . 52033 1
67 . 1 . 1 23 23 ASP H H 1 8.004 0.020 . 1 . . . . . 555 ASP H . 52033 1
68 . 1 . 1 23 23 ASP C C 13 175.912 0.3 . 1 . . . . . 555 ASP C . 52033 1
69 . 1 . 1 23 23 ASP CA C 13 54.104 0.3 . 1 . . . . . 555 ASP CA . 52033 1
70 . 1 . 1 23 23 ASP N N 15 120.360 0.3 . 1 . . . . . 555 ASP N . 52033 1
71 . 1 . 1 24 24 TYR H H 1 7.768 0.020 . 1 . . . . . 556 TYR H . 52033 1
72 . 1 . 1 24 24 TYR C C 13 175.684 0.3 . 1 . . . . . 556 TYR C . 52033 1
73 . 1 . 1 24 24 TYR CA C 13 58.259 0.3 . 1 . . . . . 556 TYR CA . 52033 1
74 . 1 . 1 24 24 TYR N N 15 121.067 0.3 . 1 . . . . . 556 TYR N . 52033 1
75 . 1 . 1 25 25 LYS H H 1 7.850 0.020 . 1 . . . . . 557 LYS H . 52033 1
76 . 1 . 1 25 25 LYS C C 13 176.129 0.3 . 1 . . . . . 557 LYS C . 52033 1
77 . 1 . 1 25 25 LYS CA C 13 56.114 0.3 . 1 . . . . . 557 LYS CA . 52033 1
78 . 1 . 1 25 25 LYS N N 15 122.913 0.3 . 1 . . . . . 557 LYS N . 52033 1
79 . 1 . 1 26 26 LYS H H 1 7.880 0.020 . 1 . . . . . 558 LYS H . 52033 1
80 . 1 . 1 26 26 LYS C C 13 176.313 0.3 . 1 . . . . . 558 LYS C . 52033 1
81 . 1 . 1 26 26 LYS CA C 13 56.248 0.3 . 1 . . . . . 558 LYS CA . 52033 1
82 . 1 . 1 26 26 LYS N N 15 122.366 0.3 . 1 . . . . . 558 LYS N . 52033 1
83 . 1 . 1 27 27 ALA H H 1 8.120 0.020 . 1 . . . . . 559 ALA H . 52033 1
84 . 1 . 1 27 27 ALA C C 13 178.079 0.3 . 1 . . . . . 559 ALA C . 52033 1
85 . 1 . 1 27 27 ALA CA C 13 52.496 0.3 . 1 . . . . . 559 ALA CA . 52033 1
86 . 1 . 1 27 27 ALA N N 15 125.510 0.3 . 1 . . . . . 559 ALA N . 52033 1
87 . 1 . 1 28 28 GLY H H 1 8.156 0.020 . 1 . . . . . 560 GLY H . 52033 1
88 . 1 . 1 28 28 GLY C C 13 174.564 0.3 . 1 . . . . . 560 GLY C . 52033 1
89 . 1 . 1 28 28 GLY CA C 13 44.991 0.3 . 1 . . . . . 560 GLY CA . 52033 1
90 . 1 . 1 28 28 GLY N N 15 108.422 0.3 . 1 . . . . . 560 GLY N . 52033 1
91 . 1 . 1 30 30 ALA H H 1 8.062 0.020 . 1 . . . . . 562 ALA H . 52033 1
92 . 1 . 1 30 30 ALA C C 13 177.996 0.3 . 1 . . . . . 562 ALA C . 52033 1
93 . 1 . 1 30 30 ALA CA C 13 52.496 0.3 . 1 . . . . . 562 ALA CA . 52033 1
94 . 1 . 1 30 30 ALA N N 15 123.665 0.3 . 1 . . . . . 562 ALA N . 52033 1
95 . 1 . 1 31 31 SER H H 1 8.091 0.020 . 1 . . . . . 563 SER H . 52033 1
96 . 1 . 1 31 31 SER CA C 13 58.192 0.3 . 1 . . . . . 563 SER CA . 52033 1
97 . 1 . 1 31 31 SER N N 15 114.847 0.3 . 1 . . . . . 563 SER N . 52033 1
98 . 1 . 1 32 32 ALA H H 1 8.085 0.020 . 1 . . . . . 564 ALA H . 52033 1
99 . 1 . 1 32 32 ALA C C 13 178.029 0.3 . 1 . . . . . 564 ALA C . 52033 1
100 . 1 . 1 32 32 ALA CA C 13 52.563 0.3 . 1 . . . . . 564 ALA CA . 52033 1
101 . 1 . 1 32 32 ALA N N 15 125.784 0.3 . 1 . . . . . 564 ALA N . 52033 1
102 . 1 . 1 33 33 GLY H H 1 8.027 0.020 . 1 . . . . . 565 GLY H . 52033 1
103 . 1 . 1 33 33 GLY C C 13 174.402 0.3 . 1 . . . . . 565 GLY C . 52033 1
104 . 1 . 1 33 33 GLY CA C 13 44.991 0.3 . 1 . . . . . 565 GLY CA . 52033 1
105 . 1 . 1 33 33 GLY N N 15 107.601 0.3 . 1 . . . . . 565 GLY N . 52033 1
106 . 1 . 1 34 34 GLY H H 1 7.856 0.020 . 1 . . . . . 566 GLY H . 52033 1
107 . 1 . 1 34 34 GLY C C 13 174.017 0.3 . 1 . . . . . 566 GLY C . 52033 1
108 . 1 . 1 34 34 GLY CA C 13 44.857 0.3 . 1 . . . . . 566 GLY CA . 52033 1
109 . 1 . 1 34 34 GLY N N 15 108.148 0.3 . 1 . . . . . 566 GLY N . 52033 1
110 . 1 . 1 35 35 TRP H H 1 7.897 0.020 . 1 . . . . . 567 TRP H . 52033 1
111 . 1 . 1 35 35 TRP C C 13 176.937 0.3 . 1 . . . . . 567 TRP C . 52033 1
112 . 1 . 1 35 35 TRP CA C 13 57.454 0.3 . 1 . . . . . 567 TRP CA . 52033 1
113 . 1 . 1 35 35 TRP N N 15 120.862 0.3 . 1 . . . . . 567 TRP N . 52033 1
114 . 1 . 1 36 36 GLY H H 1 8.115 0.020 . 1 . . . . . 568 GLY H . 52033 1
115 . 1 . 1 36 36 GLY C C 13 174.101 0.3 . 1 . . . . . 568 GLY C . 52033 1
116 . 1 . 1 36 36 GLY CA C 13 45.192 0.3 . 1 . . . . . 568 GLY CA . 52033 1
117 . 1 . 1 36 36 GLY N N 15 110.814 0.3 . 1 . . . . . 568 GLY N . 52033 1
118 . 1 . 1 38 38 SER H H 1 8.173 0.020 . 1 . . . . . 570 SER H . 52033 1
119 . 1 . 1 38 38 SER CA C 13 58.594 0.3 . 1 . . . . . 570 SER CA . 52033 1
120 . 1 . 1 38 38 SER N N 15 117.581 0.3 . 1 . . . . . 570 SER N . 52033 1
121 . 1 . 1 40 40 SER H H 1 8.009 0.020 . 1 . . . . . 572 SER H . 52033 1
122 . 1 . 1 40 40 SER C C 13 174.614 0.3 . 1 . . . . . 572 SER C . 52033 1
123 . 1 . 1 40 40 SER CA C 13 58.326 0.3 . 1 . . . . . 572 SER CA . 52033 1
124 . 1 . 1 40 40 SER N N 15 116.556 0.3 . 1 . . . . . 572 SER N . 52033 1
125 . 1 . 1 41 41 LYS H H 1 8.144 0.020 . 1 . . . . . 573 LYS H . 52033 1
126 . 1 . 1 41 41 LYS C C 13 176.185 0.3 . 1 . . . . . 573 LYS C . 52033 1
127 . 1 . 1 41 41 LYS CA C 13 56.382 0.3 . 1 . . . . . 573 LYS CA . 52033 1
128 . 1 . 1 41 41 LYS N N 15 123.118 0.3 . 1 . . . . . 573 LYS N . 52033 1
129 . 1 . 1 42 42 ASP H H 1 8.003 0.020 . 1 . . . . . 574 ASP H . 52033 1
130 . 1 . 1 42 42 ASP C C 13 176.001 0.3 . 1 . . . . . 574 ASP C . 52033 1
131 . 1 . 1 42 42 ASP CA C 13 54.171 0.3 . 1 . . . . . 574 ASP CA . 52033 1
132 . 1 . 1 42 42 ASP N N 15 120.657 0.3 . 1 . . . . . 574 ASP N . 52033 1
133 . 1 . 1 43 43 ASN H H 1 8.167 0.020 . 1 . . . . . 575 ASN H . 52033 1
134 . 1 . 1 43 43 ASN C C 13 175.366 0.3 . 1 . . . . . 575 ASN C . 52033 1
135 . 1 . 1 43 43 ASN CA C 13 53.166 0.3 . 1 . . . . . 575 ASN CA . 52033 1
136 . 1 . 1 43 43 ASN N N 15 119.973 0.3 . 1 . . . . . 575 ASN N . 52033 1
137 . 1 . 1 44 44 SER H H 1 8.044 0.020 . 1 . . . . . 576 SER H . 52033 1
138 . 1 . 1 44 44 SER C C 13 174.168 0.3 . 1 . . . . . 576 SER C . 52033 1
139 . 1 . 1 44 44 SER CA C 13 58.929 0.3 . 1 . . . . . 576 SER CA . 52033 1
140 . 1 . 1 44 44 SER N N 15 115.804 0.3 . 1 . . . . . 576 SER N . 52033 1
141 . 1 . 1 45 45 PHE H H 1 7.939 0.020 . 1 . . . . . 577 PHE H . 52033 1
142 . 1 . 1 45 45 PHE C C 13 175.706 0.3 . 1 . . . . . 577 PHE C . 52033 1
143 . 1 . 1 45 45 PHE CA C 13 57.924 0.3 . 1 . . . . . 577 PHE CA . 52033 1
144 . 1 . 1 45 45 PHE N N 15 121.819 0.3 . 1 . . . . . 577 PHE N . 52033 1
145 . 1 . 1 46 46 LYS H H 1 7.944 0.020 . 1 . . . . . 578 LYS H . 52033 1
146 . 1 . 1 46 46 LYS C C 13 176.464 0.3 . 1 . . . . . 578 LYS C . 52033 1
147 . 1 . 1 46 46 LYS CA C 13 55.980 0.3 . 1 . . . . . 578 LYS CA . 52033 1
148 . 1 . 1 46 46 LYS N N 15 123.870 0.3 . 1 . . . . . 578 LYS N . 52033 1
149 . 1 . 1 47 47 GLY H H 1 7.346 0.020 . 1 . . . . . 579 GLY H . 52033 1
150 . 1 . 1 47 47 GLY C C 13 174.257 0.3 . 1 . . . . . 579 GLY C . 52033 1
151 . 1 . 1 47 47 GLY CA C 13 45.125 0.3 . 1 . . . . . 579 GLY CA . 52033 1
152 . 1 . 1 47 47 GLY N N 15 108.832 0.3 . 1 . . . . . 579 GLY N . 52033 1
153 . 1 . 1 49 49 SER H H 1 8.115 0.020 . 1 . . . . . 581 SER H . 52033 1
154 . 1 . 1 49 49 SER C C 13 174.920 0.3 . 1 . . . . . 581 SER C . 52033 1
155 . 1 . 1 49 49 SER CA C 13 58.460 0.3 . 1 . . . . . 581 SER CA . 52033 1
156 . 1 . 1 49 49 SER N N 15 115.325 0.3 . 1 . . . . . 581 SER N . 52033 1
157 . 1 . 1 51 51 TRP H H 1 7.809 0.020 . 1 . . . . . 583 TRP H . 52033 1
158 . 1 . 1 51 51 TRP C C 13 176.709 0.3 . 1 . . . . . 583 TRP C . 52033 1
159 . 1 . 1 51 51 TRP CA C 13 57.387 0.3 . 1 . . . . . 583 TRP CA . 52033 1
160 . 1 . 1 51 51 TRP N N 15 120.930 0.3 . 1 . . . . . 583 TRP N . 52033 1
161 . 1 . 1 52 52 GLY H H 1 8.027 0.020 . 1 . . . . . 584 GLY H . 52033 1
162 . 1 . 1 52 52 GLY C C 13 174.129 0.3 . 1 . . . . . 584 GLY C . 52033 1
163 . 1 . 1 52 52 GLY CA C 13 45.125 0.3 . 1 . . . . . 584 GLY CA . 52033 1
164 . 1 . 1 52 52 GLY N N 15 111.019 0.3 . 1 . . . . . 584 GLY N . 52033 1
165 . 1 . 1 53 53 SER H H 1 8.003 0.020 . 1 . . . . . 585 SER H . 52033 1
166 . 1 . 1 53 53 SER C C 13 174.291 0.3 . 1 . . . . . 585 SER C . 52033 1
167 . 1 . 1 53 53 SER CA C 13 58.259 0.3 . 1 . . . . . 585 SER CA . 52033 1
168 . 1 . 1 53 53 SER N N 15 115.257 0.3 . 1 . . . . . 585 SER N . 52033 1
169 . 1 . 1 54 54 ASP H H 1 8.173 0.020 . 1 . . . . . 586 ASP H . 52033 1
170 . 1 . 1 54 54 ASP C C 13 176.319 0.3 . 1 . . . . . 586 ASP C . 52033 1
171 . 1 . 1 54 54 ASP CA C 13 54.037 0.3 . 1 . . . . . 586 ASP CA . 52033 1
172 . 1 . 1 54 54 ASP N N 15 121.546 0.3 . 1 . . . . . 586 ASP N . 52033 1
173 . 1 . 1 55 55 SER H H 1 7.956 0.020 . 1 . . . . . 587 SER H . 52033 1
174 . 1 . 1 55 55 SER C C 13 174.809 0.3 . 1 . . . . . 587 SER C . 52033 1
175 . 1 . 1 55 55 SER CA C 13 58.795 0.3 . 1 . . . . . 587 SER CA . 52033 1
176 . 1 . 1 55 55 SER N N 15 116.077 0.3 . 1 . . . . . 587 SER N . 52033 1
177 . 1 . 1 56 56 LYS H H 1 8.068 0.020 . 1 . . . . . 588 LYS H . 52033 1
178 . 1 . 1 56 56 LYS C C 13 176.826 0.3 . 1 . . . . . 588 LYS C . 52033 1
179 . 1 . 1 56 56 LYS CA C 13 56.382 0.3 . 1 . . . . . 588 LYS CA . 52033 1
180 . 1 . 1 56 56 LYS N N 15 122.366 0.3 . 1 . . . . . 588 LYS N . 52033 1
181 . 1 . 1 58 58 SER H H 1 8.032 0.020 . 1 . . . . . 590 SER H . 52033 1
182 . 1 . 1 58 58 SER C C 13 174.831 0.3 . 1 . . . . . 590 SER C . 52033 1
183 . 1 . 1 58 58 SER CA C 13 58.460 0.3 . 1 . . . . . 590 SER CA . 52033 1
184 . 1 . 1 58 58 SER N N 15 117.308 0.3 . 1 . . . . . 590 SER N . 52033 1
185 . 1 . 1 59 59 GLY H H 1 8.027 0.020 . 1 . . . . . 591 GLY H . 52033 1
186 . 1 . 1 59 59 GLY C C 13 173.884 0.3 . 1 . . . . . 591 GLY C . 52033 1
187 . 1 . 1 59 59 GLY CA C 13 45.058 0.3 . 1 . . . . . 591 GLY CA . 52033 1
188 . 1 . 1 59 59 GLY N N 15 110.131 0.3 . 1 . . . . . 591 GLY N . 52033 1
189 . 1 . 1 60 60 TRP H H 1 7.762 0.020 . 1 . . . . . 592 TRP H . 52033 1
190 . 1 . 1 60 60 TRP C C 13 176.820 0.3 . 1 . . . . . 592 TRP C . 52033 1
191 . 1 . 1 60 60 TRP CA C 13 57.454 0.3 . 1 . . . . . 592 TRP CA . 52033 1
192 . 1 . 1 60 60 TRP N N 15 120.725 0.3 . 1 . . . . . 592 TRP N . 52033 1
193 . 1 . 1 61 61 GLY H H 1 8.003 0.020 . 1 . . . . . 593 GLY H . 52033 1
194 . 1 . 1 61 61 GLY C C 13 178.754 0.3 . 1 . . . . . 593 GLY C . 52033 1
195 . 1 . 1 61 61 GLY CA C 13 45.259 0.3 . 1 . . . . . 593 GLY CA . 52033 1
196 . 1 . 1 61 61 GLY N N 15 110.404 0.3 . 1 . . . . . 593 GLY N . 52033 1
197 . 1 . 1 62 62 ASN H H 1 7.939 0.020 . 1 . . . . . 594 ASN H . 52033 1
198 . 1 . 1 62 62 ASN C C 13 175.466 0.3 . 1 . . . . . 594 ASN C . 52033 1
199 . 1 . 1 62 62 ASN CA C 13 52.898 0.3 . 1 . . . . . 594 ASN CA . 52033 1
200 . 1 . 1 62 62 ASN N N 15 118.401 0.3 . 1 . . . . . 594 ASN N . 52033 1
201 . 1 . 1 63 63 SER H H 1 8.150 0.020 . 1 . . . . . 595 SER H . 52033 1
202 . 1 . 1 63 63 SER C C 13 175.026 0.3 . 1 . . . . . 595 SER C . 52033 1
203 . 1 . 1 63 63 SER CA C 13 58.527 0.3 . 1 . . . . . 595 SER CA . 52033 1
204 . 1 . 1 63 63 SER N N 15 116.077 0.3 . 1 . . . . . 595 SER N . 52033 1
205 . 1 . 1 67 67 ASN H H 1 8.261 0.020 . 1 . . . . . 599 ASN H . 52033 1
206 . 1 . 1 67 67 ASN C C 13 174.785 0.3 . 1 . . . . . 599 ASN C . 52033 1
207 . 1 . 1 67 67 ASN CA C 13 53.166 0.3 . 1 . . . . . 599 ASN CA . 52033 1
208 . 1 . 1 67 67 ASN N N 15 120.035 0.3 . 1 . . . . . 599 ASN N . 52033 1
209 . 1 . 1 68 68 ASN H H 1 8.050 0.020 . 1 . . . . . 600 ASN H . 52033 1
210 . 1 . 1 68 68 ASN C C 13 175.087 0.3 . 1 . . . . . 600 ASN C . 52033 1
211 . 1 . 1 68 68 ASN CA C 13 53.099 0.3 . 1 . . . . . 600 ASN CA . 52033 1
212 . 1 . 1 68 68 ASN N N 15 118.743 0.3 . 1 . . . . . 600 ASN N . 52033 1
213 . 1 . 1 69 69 SER H H 1 7.939 0.020 . 1 . . . . . 601 SER H . 52033 1
214 . 1 . 1 69 69 SER C C 13 174.352 0.3 . 1 . . . . . 601 SER C . 52033 1
215 . 1 . 1 69 69 SER CA C 13 58.527 0.3 . 1 . . . . . 601 SER CA . 52033 1
216 . 1 . 1 69 69 SER N N 15 115.589 0.3 . 1 . . . . . 601 SER N . 52033 1
217 . 1 . 1 70 70 SER H H 1 7.927 0.020 . 1 . . . . . 602 SER H . 52033 1
218 . 1 . 1 70 70 SER C C 13 178.698 0.3 . 1 . . . . . 602 SER C . 52033 1
219 . 1 . 1 70 70 SER CA C 13 58.393 0.3 . 1 . . . . . 602 SER CA . 52033 1
220 . 1 . 1 70 70 SER N N 15 117.034 0.3 . 1 . . . . . 602 SER N . 52033 1
221 . 1 . 1 71 71 TRP H H 1 7.440 0.020 . 1 . . . . . 603 TRP H . 52033 1
222 . 1 . 1 71 71 TRP C C 13 174.597 0.3 . 1 . . . . . 603 TRP C . 52033 1
223 . 1 . 1 71 71 TRP CA C 13 56.516 0.3 . 1 . . . . . 603 TRP CA . 52033 1
224 . 1 . 1 71 71 TRP N N 15 121.477 0.3 . 1 . . . . . 603 TRP N . 52033 1
225 . 1 . 1 72 72 TRP H H 1 7.088 0.020 . 1 . . . . . 604 TRP H . 52033 1
226 . 1 . 1 72 72 TRP C C 13 175.455 0.3 . 1 . . . . . 604 TRP C . 52033 1
227 . 1 . 1 72 72 TRP CA C 13 58.259 0.3 . 1 . . . . . 604 TRP CA . 52033 1
228 . 1 . 1 72 72 TRP N N 15 126.125 0.3 . 1 . . . . . 604 TRP N . 52033 1
stop_
save_