data_52008
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52008
_Entry.Title
;
human SUMO1 DeltaN19
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-06-24
_Entry.Accession_date 2023-06-24
_Entry.Last_release_date 2023-06-26
_Entry.Original_release_date 2023-06-26
_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 'TROSY spectrum'
_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 Tobias Ritterhoff . . . . 52008
2 Rachel Klevit . . . . 52008
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 . . 2023-06-29 . original BMRB . 52008
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52008
_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
;
SUMO's intrinsically disordered N-terminus is an intramolecular inhibitor of SUMO - SIM interactions
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Mol. Cell'
_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 Sebastian Richter . . . . 52008 1
2 Fan Jin . . . . 52008 1
3 Tobias Ritterhoff . . . . 52008 1
4 Aleksandra Fergin . . . . 52008 1
5 Eric Maurer . . . . 52008 1
6 Andrea Frank . . . . 52008 1
7 Alex Hajnal . . . . 52008 1
8 Rachel Klevit . . . . 52008 1
9 Frauke Grater . . . . 52008 1
10 Annette Flotho . . . . 52008 1
11 Frauke Melchior . . . . 52008 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52008
_Assembly.ID 1
_Assembly.Name 'human SUMO1 deltaN19'
_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 SUMO1 deltaN19' 1 $entity_1 . . yes native no no . . . 52008 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52008
_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
;
MEYIKLKVIGQDSSEIHFKV
KMTTHLKKLKESYCQRQGVP
MNSLRFLFEGQRIADNHTPK
ELGMEEEDVIEVYQEQTGG
;
_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 79
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_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 . MET . 52008 1
2 . GLU . 52008 1
3 . TYR . 52008 1
4 . ILE . 52008 1
5 . LYS . 52008 1
6 . LEU . 52008 1
7 . LYS . 52008 1
8 . VAL . 52008 1
9 . ILE . 52008 1
10 . GLY . 52008 1
11 . GLN . 52008 1
12 . ASP . 52008 1
13 . SER . 52008 1
14 . SER . 52008 1
15 . GLU . 52008 1
16 . ILE . 52008 1
17 . HIS . 52008 1
18 . PHE . 52008 1
19 . LYS . 52008 1
20 . VAL . 52008 1
21 . LYS . 52008 1
22 . MET . 52008 1
23 . THR . 52008 1
24 . THR . 52008 1
25 . HIS . 52008 1
26 . LEU . 52008 1
27 . LYS . 52008 1
28 . LYS . 52008 1
29 . LEU . 52008 1
30 . LYS . 52008 1
31 . GLU . 52008 1
32 . SER . 52008 1
33 . TYR . 52008 1
34 . CYS . 52008 1
35 . GLN . 52008 1
36 . ARG . 52008 1
37 . GLN . 52008 1
38 . GLY . 52008 1
39 . VAL . 52008 1
40 . PRO . 52008 1
41 . MET . 52008 1
42 . ASN . 52008 1
43 . SER . 52008 1
44 . LEU . 52008 1
45 . ARG . 52008 1
46 . PHE . 52008 1
47 . LEU . 52008 1
48 . PHE . 52008 1
49 . GLU . 52008 1
50 . GLY . 52008 1
51 . GLN . 52008 1
52 . ARG . 52008 1
53 . ILE . 52008 1
54 . ALA . 52008 1
55 . ASP . 52008 1
56 . ASN . 52008 1
57 . HIS . 52008 1
58 . THR . 52008 1
59 . PRO . 52008 1
60 . LYS . 52008 1
61 . GLU . 52008 1
62 . LEU . 52008 1
63 . GLY . 52008 1
64 . MET . 52008 1
65 . GLU . 52008 1
66 . GLU . 52008 1
67 . GLU . 52008 1
68 . ASP . 52008 1
69 . VAL . 52008 1
70 . ILE . 52008 1
71 . GLU . 52008 1
72 . VAL . 52008 1
73 . TYR . 52008 1
74 . GLN . 52008 1
75 . GLU . 52008 1
76 . GLN . 52008 1
77 . THR . 52008 1
78 . GLY . 52008 1
79 . GLY . 52008 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 52008 1
. GLU 2 2 52008 1
. TYR 3 3 52008 1
. ILE 4 4 52008 1
. LYS 5 5 52008 1
. LEU 6 6 52008 1
. LYS 7 7 52008 1
. VAL 8 8 52008 1
. ILE 9 9 52008 1
. GLY 10 10 52008 1
. GLN 11 11 52008 1
. ASP 12 12 52008 1
. SER 13 13 52008 1
. SER 14 14 52008 1
. GLU 15 15 52008 1
. ILE 16 16 52008 1
. HIS 17 17 52008 1
. PHE 18 18 52008 1
. LYS 19 19 52008 1
. VAL 20 20 52008 1
. LYS 21 21 52008 1
. MET 22 22 52008 1
. THR 23 23 52008 1
. THR 24 24 52008 1
. HIS 25 25 52008 1
. LEU 26 26 52008 1
. LYS 27 27 52008 1
. LYS 28 28 52008 1
. LEU 29 29 52008 1
. LYS 30 30 52008 1
. GLU 31 31 52008 1
. SER 32 32 52008 1
. TYR 33 33 52008 1
. CYS 34 34 52008 1
. GLN 35 35 52008 1
. ARG 36 36 52008 1
. GLN 37 37 52008 1
. GLY 38 38 52008 1
. VAL 39 39 52008 1
. PRO 40 40 52008 1
. MET 41 41 52008 1
. ASN 42 42 52008 1
. SER 43 43 52008 1
. LEU 44 44 52008 1
. ARG 45 45 52008 1
. PHE 46 46 52008 1
. LEU 47 47 52008 1
. PHE 48 48 52008 1
. GLU 49 49 52008 1
. GLY 50 50 52008 1
. GLN 51 51 52008 1
. ARG 52 52 52008 1
. ILE 53 53 52008 1
. ALA 54 54 52008 1
. ASP 55 55 52008 1
. ASN 56 56 52008 1
. HIS 57 57 52008 1
. THR 58 58 52008 1
. PRO 59 59 52008 1
. LYS 60 60 52008 1
. GLU 61 61 52008 1
. LEU 62 62 52008 1
. GLY 63 63 52008 1
. MET 64 64 52008 1
. GLU 65 65 52008 1
. GLU 66 66 52008 1
. GLU 67 67 52008 1
. ASP 68 68 52008 1
. VAL 69 69 52008 1
. ILE 70 70 52008 1
. GLU 71 71 52008 1
. VAL 72 72 52008 1
. TYR 73 73 52008 1
. GLN 74 74 52008 1
. GLU 75 75 52008 1
. GLN 76 76 52008 1
. THR 77 77 52008 1
. GLY 78 78 52008 1
. GLY 79 79 52008 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 52008
_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 . . . . . . . . . . . . . 52008 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 52008
_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 . . pET11a . . . 52008 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52008
_Sample.ID 1
_Sample.Name 'human SUMO1 deltaN19'
_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 'human SUMO1 deltaN19' '[U-99% 15N]' . . 1 $entity_1 . . 700 . . uM . . . . 52008 1
2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52008 1
3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52008 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 52008
_Sample_condition_list.ID 1
_Sample_condition_list.Name PBS295K
_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' 0.15 . M 52008 1
pH 7.0 . pH 52008 1
pressure 1 . atm 52008 1
temperature 295 . K 52008 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52008
_Software.ID 1
_Software.Type .
_Software.Name TOPSPIN
_Software.Version 3.6.4
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52008 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 52008
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name '500 MHz Bruker Avance II'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE II'
_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 52008
_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 TROSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52008 1
stop_
loop_
_Experiment_file.Experiment_ID
_Experiment_file.Experiment_name
_Experiment_file.Name
_Experiment_file.Type
_Experiment_file.Content
_Experiment_file.Directory_path
_Experiment_file.Details
_Experiment_file.Entry_ID
_Experiment_file.Experiment_list_ID
1 '2D 1H-15N TROSY' 15NSUMO1_DeltaN19.nv . 'Time-domain (raw spectral data)' . . 52008 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 52008
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name chem_shift_reference_1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 . . . . . . . . . . . . . . . . 52008 1
N 15 . . . . . . . . . . . . . . . . 52008 1
stop_
save_