data_51947
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 51947
_Entry.Title
;
Backbone and partial side-chain assignment of the TAD domain (366-400) of human WW domain-containing transcription regulator protein 1 (TAZ/WWTR1)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-04-27
_Entry.Accession_date 2023-04-27
_Entry.Last_release_date 2023-04-27
_Entry.Original_release_date 2023-04-27
_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 .
_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 Haoran Zhang . . . . 51947
2 Yan Li . . . . 51947
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 51947
spectral_peak_list 9 51947
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 105 51947
'15N chemical shifts' 36 51947
'1H chemical shifts' 138 51947
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 . . 2025-04-01 . original BMRB . 51947
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 51948 'TAD domain (450-504) of human transcriptional coactivator YAP1' 51947
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 51947
_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
;
Backbone and partial side-chain assignment of the TAD domain (366-400) of human WW domain-containing transcription regulator protein 1 (TAZ/WWTR1)
;
_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 Haoran Zhang . . . . 51947 1
2 Yan Li . . . . 51947 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 51947
_Assembly.ID 1
_Assembly.Name 'TAZ TAD domain (366-400)'
_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 'TAZ TAD domain (366-400)' 1 $entity_1 . . yes native no no . . . 51947 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 51947
_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
;
GSGTNVDLGTLESEDLIPLF
NDVESALNKSEPFLTWL
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details
;
The recombinant TAZ TAD domain (366-400) was expressed using a pET-22b plasmid
incorporated with SUMO tag for improved protein expression, with SUMO cut later
for NMR characterization.
TAZ TAD domain (366-400) begins with sequence GTN..., and the upstream
GS is supposed to be the remaining SUMO tag.
;
_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 37
_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 . GLY . 51947 1
2 . SER . 51947 1
3 366 GLY . 51947 1
4 367 THR . 51947 1
5 368 ASN . 51947 1
6 369 VAL . 51947 1
7 370 ASP . 51947 1
8 371 LEU . 51947 1
9 372 GLY . 51947 1
10 373 THR . 51947 1
11 374 LEU . 51947 1
12 375 GLU . 51947 1
13 376 SER . 51947 1
14 377 GLU . 51947 1
15 378 ASP . 51947 1
16 379 LEU . 51947 1
17 380 ILE . 51947 1
18 381 PRO . 51947 1
19 382 LEU . 51947 1
20 383 PHE . 51947 1
21 384 ASN . 51947 1
22 385 ASP . 51947 1
23 386 VAL . 51947 1
24 387 GLU . 51947 1
25 388 SER . 51947 1
26 389 ALA . 51947 1
27 390 LEU . 51947 1
28 391 ASN . 51947 1
29 392 LYS . 51947 1
30 393 SER . 51947 1
31 394 GLU . 51947 1
32 395 PRO . 51947 1
33 396 PHE . 51947 1
34 397 LEU . 51947 1
35 398 THR . 51947 1
36 399 TRP . 51947 1
37 400 LEU . 51947 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 51947 1
. SER 2 2 51947 1
. GLY 3 3 51947 1
. THR 4 4 51947 1
. ASN 5 5 51947 1
. VAL 6 6 51947 1
. ASP 7 7 51947 1
. LEU 8 8 51947 1
. GLY 9 9 51947 1
. THR 10 10 51947 1
. LEU 11 11 51947 1
. GLU 12 12 51947 1
. SER 13 13 51947 1
. GLU 14 14 51947 1
. ASP 15 15 51947 1
. LEU 16 16 51947 1
. ILE 17 17 51947 1
. PRO 18 18 51947 1
. LEU 19 19 51947 1
. PHE 20 20 51947 1
. ASN 21 21 51947 1
. ASP 22 22 51947 1
. VAL 23 23 51947 1
. GLU 24 24 51947 1
. SER 25 25 51947 1
. ALA 26 26 51947 1
. LEU 27 27 51947 1
. ASN 28 28 51947 1
. LYS 29 29 51947 1
. SER 30 30 51947 1
. GLU 31 31 51947 1
. PRO 32 32 51947 1
. PHE 33 33 51947 1
. LEU 34 34 51947 1
. THR 35 35 51947 1
. TRP 36 36 51947 1
. LEU 37 37 51947 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 51947
_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 . . . . . . . . . . . . . 51947 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 51947
_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-22b . . 'pET-22b incorporated with SUMO tag for protein expression, with SUMO cut later for NMR characterization' 51947 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 51947
_Sample.ID 1
_Sample.Name 13C15N
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '95% H2O/5% 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 'TAZ TAD domain (366-400)' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51947 1
2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51947 1
3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51947 1
4 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 51947 1
5 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51947 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 51947
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'condition 1'
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 170 . mM 51947 1
pH 6.5 . pH 51947 1
pressure 1 . atm 51947 1
temperature 298 . K 51947 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 51947
_Software.ID 1
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 51947 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 51947
_Software.ID 2
_Software.Type .
_Software.Name NMRPipe
_Software.Version 11.1
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 51947 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 51947
_Software.ID 3
_Software.Type .
_Software.Name POKY
_Software.Version 'Build 20220114'
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 51947 3
'data analysis' . 51947 3
'peak picking' . 51947 3
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 51947
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker AVANCE III 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 51947
_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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
2 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
3 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
6 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
7 '3D HCCH-COSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
8 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 1
9 '3D 1H-15N NOESY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51947 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 51947
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'set 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
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51947 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51947 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51947 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 51947
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'list 1'
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 51947 1
2 '3D CBCANH' . . . 51947 1
3 '3D CBCA(CO)NH' . . . 51947 1
4 '3D HNCA' . . . 51947 1
5 '3D HNCO' . . . 51947 1
6 '3D HBHA(CO)NH' . . . 51947 1
7 '3D HCCH-COSY' . . . 51947 1
8 '3D HCCH-TOCSY' . . . 51947 1
9 '3D 1H-15N NOESY' . . . 51947 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
3 $software_3 . . 51947 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 3 3 GLY HA2 H 1 3.984 0.014 . . . . . . . 366 GLY HA2 . 51947 1
2 . 1 . 1 3 3 GLY C C 13 171.200 0.000 . . . . . . . 366 GLY C . 51947 1
3 . 1 . 1 3 3 GLY CA C 13 42.343 0.047 . . . . . . . 366 GLY CA . 51947 1
4 . 1 . 1 4 4 THR H H 1 8.186 0.003 . . . . . . . 367 THR H . 51947 1
5 . 1 . 1 4 4 THR HA H 1 4.279 0.000 . . . . . . . 367 THR HA . 51947 1
6 . 1 . 1 4 4 THR HB H 1 4.141 0.005 . . . . . . . 367 THR HB . 51947 1
7 . 1 . 1 4 4 THR HG21 H 1 1.086 0.000 . . . . . . . 367 THR HG2 . 51947 1
8 . 1 . 1 4 4 THR HG22 H 1 1.086 0.000 . . . . . . . 367 THR HG2 . 51947 1
9 . 1 . 1 4 4 THR HG23 H 1 1.086 0.000 . . . . . . . 367 THR HG2 . 51947 1
10 . 1 . 1 4 4 THR C C 13 171.477 0.000 . . . . . . . 367 THR C . 51947 1
11 . 1 . 1 4 4 THR CA C 13 58.707 0.089 . . . . . . . 367 THR CA . 51947 1
12 . 1 . 1 4 4 THR CB C 13 66.666 0.037 . . . . . . . 367 THR CB . 51947 1
13 . 1 . 1 4 4 THR N N 15 113.793 0.042 . . . . . . . 367 THR N . 51947 1
14 . 1 . 1 5 5 ASN H H 1 8.432 0.003 . . . . . . . 368 ASN H . 51947 1
15 . 1 . 1 5 5 ASN HA H 1 4.644 0.000 . . . . . . . 368 ASN HA . 51947 1
16 . 1 . 1 5 5 ASN HB2 H 1 2.734 0.000 . . . . . . . 368 ASN HB2 . 51947 1
17 . 1 . 1 5 5 ASN HB3 H 1 2.665 0.000 . . . . . . . 368 ASN HB3 . 51947 1
18 . 1 . 1 5 5 ASN HD22 H 1 6.826 0.000 . . . . . . . 368 ASN HD22 . 51947 1
19 . 1 . 1 5 5 ASN C C 13 172.228 0.000 . . . . . . . 368 ASN C . 51947 1
20 . 1 . 1 5 5 ASN CA C 13 50.316 0.040 . . . . . . . 368 ASN CA . 51947 1
21 . 1 . 1 5 5 ASN CB C 13 35.748 0.084 . . . . . . . 368 ASN CB . 51947 1
22 . 1 . 1 5 5 ASN N N 15 121.369 0.079 . . . . . . . 368 ASN N . 51947 1
23 . 1 . 1 5 5 ASN ND2 N 15 112.393 0.009 . . . . . . . 368 ASN ND2 . 51947 1
24 . 1 . 1 6 6 VAL H H 1 8.019 0.003 . . . . . . . 369 VAL H . 51947 1
25 . 1 . 1 6 6 VAL HA H 1 4.000 0.000 . . . . . . . 369 VAL HA . 51947 1
26 . 1 . 1 6 6 VAL HB H 1 1.966 0.008 . . . . . . . 369 VAL HB . 51947 1
27 . 1 . 1 6 6 VAL HG11 H 1 0.786 0.000 . . . . . . . 369 VAL HG1 . 51947 1
28 . 1 . 1 6 6 VAL HG12 H 1 0.786 0.000 . . . . . . . 369 VAL HG1 . 51947 1
29 . 1 . 1 6 6 VAL HG13 H 1 0.786 0.000 . . . . . . . 369 VAL HG1 . 51947 1
30 . 1 . 1 6 6 VAL C C 13 172.721 0.000 . . . . . . . 369 VAL C . 51947 1
31 . 1 . 1 6 6 VAL CA C 13 59.296 0.039 . . . . . . . 369 VAL CA . 51947 1
32 . 1 . 1 6 6 VAL CB C 13 29.678 0.095 . . . . . . . 369 VAL CB . 51947 1
33 . 1 . 1 6 6 VAL CG1 C 13 17.847 0.000 . . . . . . . 369 VAL CG1 . 51947 1
34 . 1 . 1 6 6 VAL N N 15 120.183 0.045 . . . . . . . 369 VAL N . 51947 1
35 . 1 . 1 7 7 ASP H H 1 8.289 0.002 . . . . . . . 370 ASP H . 51947 1
36 . 1 . 1 7 7 ASP HA H 1 4.527 0.000 . . . . . . . 370 ASP HA . 51947 1
37 . 1 . 1 7 7 ASP HB2 H 1 2.645 0.000 . . . . . . . 370 ASP HB2 . 51947 1
38 . 1 . 1 7 7 ASP HB3 H 1 2.500 0.000 . . . . . . . 370 ASP HB3 . 51947 1
39 . 1 . 1 7 7 ASP C C 13 173.429 0.000 . . . . . . . 370 ASP C . 51947 1
40 . 1 . 1 7 7 ASP CA C 13 51.186 0.037 . . . . . . . 370 ASP CA . 51947 1
41 . 1 . 1 7 7 ASP CB C 13 38.192 0.030 . . . . . . . 370 ASP CB . 51947 1
42 . 1 . 1 7 7 ASP N N 15 123.861 0.037 . . . . . . . 370 ASP N . 51947 1
43 . 1 . 1 8 8 LEU H H 1 8.235 0.002 . . . . . . . 371 LEU H . 51947 1
44 . 1 . 1 8 8 LEU HA H 1 4.201 0.000 . . . . . . . 371 LEU HA . 51947 1
45 . 1 . 1 8 8 LEU HB2 H 1 1.564 0.000 . . . . . . . 371 LEU HB2 . 51947 1
46 . 1 . 1 8 8 LEU C C 13 175.275 0.000 . . . . . . . 371 LEU C . 51947 1
47 . 1 . 1 8 8 LEU CA C 13 52.521 0.009 . . . . . . . 371 LEU CA . 51947 1
48 . 1 . 1 8 8 LEU CB C 13 39.161 0.000 . . . . . . . 371 LEU CB . 51947 1
49 . 1 . 1 8 8 LEU N N 15 123.579 0.042 . . . . . . . 371 LEU N . 51947 1
50 . 1 . 1 9 9 GLY H H 1 8.399 0.003 . . . . . . . 372 GLY H . 51947 1
51 . 1 . 1 9 9 GLY HA3 H 1 3.875 0.000 . . . . . . . 372 GLY HA3 . 51947 1
52 . 1 . 1 9 9 GLY C C 13 171.596 0.000 . . . . . . . 372 GLY C . 51947 1
53 . 1 . 1 9 9 GLY CA C 13 42.546 0.035 . . . . . . . 372 GLY CA . 51947 1
54 . 1 . 1 9 9 GLY N N 15 108.864 0.028 . . . . . . . 372 GLY N . 51947 1
55 . 1 . 1 10 10 THR H H 1 7.872 0.003 . . . . . . . 373 THR H . 51947 1
56 . 1 . 1 10 10 THR HA H 1 4.234 0.000 . . . . . . . 373 THR HA . 51947 1
57 . 1 . 1 10 10 THR HB H 1 4.126 0.003 . . . . . . . 373 THR HB . 51947 1
58 . 1 . 1 10 10 THR HG21 H 1 1.071 0.001 . . . . . . . 373 THR HG2 . 51947 1
59 . 1 . 1 10 10 THR HG22 H 1 1.071 0.001 . . . . . . . 373 THR HG2 . 51947 1
60 . 1 . 1 10 10 THR HG23 H 1 1.071 0.001 . . . . . . . 373 THR HG2 . 51947 1
61 . 1 . 1 10 10 THR C C 13 171.705 0.000 . . . . . . . 373 THR C . 51947 1
62 . 1 . 1 10 10 THR CA C 13 58.849 0.045 . . . . . . . 373 THR CA . 51947 1
63 . 1 . 1 10 10 THR CB C 13 66.706 0.046 . . . . . . . 373 THR CB . 51947 1
64 . 1 . 1 10 10 THR CG2 C 13 18.436 0.000 . . . . . . . 373 THR CG2 . 51947 1
65 . 1 . 1 10 10 THR N N 15 113.627 0.087 . . . . . . . 373 THR N . 51947 1
66 . 1 . 1 11 11 LEU H H 1 8.166 0.002 . . . . . . . 374 LEU H . 51947 1
67 . 1 . 1 11 11 LEU HA H 1 4.278 0.000 . . . . . . . 374 LEU HA . 51947 1
68 . 1 . 1 11 11 LEU HB2 H 1 1.532 0.000 . . . . . . . 374 LEU HB2 . 51947 1
69 . 1 . 1 11 11 LEU C C 13 174.537 0.000 . . . . . . . 374 LEU C . 51947 1
70 . 1 . 1 11 11 LEU CA C 13 52.276 0.024 . . . . . . . 374 LEU CA . 51947 1
71 . 1 . 1 11 11 LEU CB C 13 39.379 0.118 . . . . . . . 374 LEU CB . 51947 1
72 . 1 . 1 11 11 LEU N N 15 124.535 0.051 . . . . . . . 374 LEU N . 51947 1
73 . 1 . 1 12 12 GLU H H 1 8.364 0.002 . . . . . . . 375 GLU H . 51947 1
74 . 1 . 1 12 12 GLU HA H 1 4.209 0.000 . . . . . . . 375 GLU HA . 51947 1
75 . 1 . 1 12 12 GLU HB2 H 1 1.968 0.000 . . . . . . . 375 GLU HB2 . 51947 1
76 . 1 . 1 12 12 GLU HB3 H 1 1.844 0.000 . . . . . . . 375 GLU HB3 . 51947 1
77 . 1 . 1 12 12 GLU C C 13 173.576 0.000 . . . . . . . 375 GLU C . 51947 1
78 . 1 . 1 12 12 GLU CA C 13 53.620 0.039 . . . . . . . 375 GLU CA . 51947 1
79 . 1 . 1 12 12 GLU CB C 13 27.209 0.100 . . . . . . . 375 GLU CB . 51947 1
80 . 1 . 1 12 12 GLU N N 15 121.727 0.031 . . . . . . . 375 GLU N . 51947 1
81 . 1 . 1 13 13 SER H H 1 8.153 0.003 . . . . . . . 376 SER H . 51947 1
82 . 1 . 1 13 13 SER HA H 1 4.330 0.000 . . . . . . . 376 SER HA . 51947 1
83 . 1 . 1 13 13 SER HB3 H 1 3.760 0.012 . . . . . . . 376 SER HB3 . 51947 1
84 . 1 . 1 13 13 SER C C 13 171.848 0.000 . . . . . . . 376 SER C . 51947 1
85 . 1 . 1 13 13 SER CA C 13 55.393 0.044 . . . . . . . 376 SER CA . 51947 1
86 . 1 . 1 13 13 SER CB C 13 60.831 0.093 . . . . . . . 376 SER CB . 51947 1
87 . 1 . 1 13 13 SER N N 15 116.134 0.038 . . . . . . . 376 SER N . 51947 1
88 . 1 . 1 14 14 GLU H H 1 8.425 0.004 . . . . . . . 377 GLU H . 51947 1
89 . 1 . 1 14 14 GLU HA H 1 4.189 0.000 . . . . . . . 377 GLU HA . 51947 1
90 . 1 . 1 14 14 GLU HB2 H 1 1.973 0.000 . . . . . . . 377 GLU HB2 . 51947 1
91 . 1 . 1 14 14 GLU HB3 H 1 1.839 0.000 . . . . . . . 377 GLU HB3 . 51947 1
92 . 1 . 1 14 14 GLU C C 13 173.261 0.000 . . . . . . . 377 GLU C . 51947 1
93 . 1 . 1 14 14 GLU CA C 13 53.816 0.071 . . . . . . . 377 GLU CA . 51947 1
94 . 1 . 1 14 14 GLU CB C 13 27.218 0.136 . . . . . . . 377 GLU CB . 51947 1
95 . 1 . 1 14 14 GLU N N 15 122.890 0.043 . . . . . . . 377 GLU N . 51947 1
96 . 1 . 1 15 15 ASP H H 1 8.216 0.006 . . . . . . . 378 ASP H . 51947 1
97 . 1 . 1 15 15 ASP HA H 1 4.471 0.000 . . . . . . . 378 ASP HA . 51947 1
98 . 1 . 1 15 15 ASP HB2 H 1 2.574 0.000 . . . . . . . 378 ASP HB2 . 51947 1
99 . 1 . 1 15 15 ASP HB3 H 1 2.456 0.000 . . . . . . . 378 ASP HB3 . 51947 1
100 . 1 . 1 15 15 ASP C C 13 172.956 0.000 . . . . . . . 378 ASP C . 51947 1
101 . 1 . 1 15 15 ASP CA C 13 51.404 0.011 . . . . . . . 378 ASP CA . 51947 1
102 . 1 . 1 15 15 ASP CB C 13 38.019 0.015 . . . . . . . 378 ASP CB . 51947 1
103 . 1 . 1 15 15 ASP N N 15 120.700 0.039 . . . . . . . 378 ASP N . 51947 1
104 . 1 . 1 16 16 LEU H H 1 7.950 0.002 . . . . . . . 379 LEU H . 51947 1
105 . 1 . 1 16 16 LEU HA H 1 4.223 0.000 . . . . . . . 379 LEU HA . 51947 1
106 . 1 . 1 16 16 LEU HB2 H 1 1.456 0.000 . . . . . . . 379 LEU HB2 . 51947 1
107 . 1 . 1 16 16 LEU C C 13 174.122 0.000 . . . . . . . 379 LEU C . 51947 1
108 . 1 . 1 16 16 LEU CA C 13 51.968 0.050 . . . . . . . 379 LEU CA . 51947 1
109 . 1 . 1 16 16 LEU CB C 13 39.089 0.147 . . . . . . . 379 LEU CB . 51947 1
110 . 1 . 1 16 16 LEU N N 15 121.917 0.049 . . . . . . . 379 LEU N . 51947 1
111 . 1 . 1 17 17 ILE H H 1 7.973 0.002 . . . . . . . 380 ILE H . 51947 1
112 . 1 . 1 17 17 ILE HA H 1 4.239 0.000 . . . . . . . 380 ILE HA . 51947 1
113 . 1 . 1 17 17 ILE HB H 1 1.759 0.005 . . . . . . . 380 ILE HB . 51947 1
114 . 1 . 1 17 17 ILE HG12 H 1 1.402 0.001 . . . . . . . 380 ILE HG12 . 51947 1
115 . 1 . 1 17 17 ILE HG13 H 1 1.052 0.004 . . . . . . . 380 ILE HG13 . 51947 1
116 . 1 . 1 17 17 ILE HG21 H 1 0.816 0.003 . . . . . . . 380 ILE HG2 . 51947 1
117 . 1 . 1 17 17 ILE HG22 H 1 0.816 0.003 . . . . . . . 380 ILE HG2 . 51947 1
118 . 1 . 1 17 17 ILE HG23 H 1 0.816 0.003 . . . . . . . 380 ILE HG2 . 51947 1
119 . 1 . 1 17 17 ILE HD11 H 1 0.744 0.006 . . . . . . . 380 ILE HD1 . 51947 1
120 . 1 . 1 17 17 ILE HD12 H 1 0.744 0.006 . . . . . . . 380 ILE HD1 . 51947 1
121 . 1 . 1 17 17 ILE HD13 H 1 0.744 0.006 . . . . . . . 380 ILE HD1 . 51947 1
122 . 1 . 1 17 17 ILE CA C 13 55.808 0.009 . . . . . . . 380 ILE CA . 51947 1
123 . 1 . 1 17 17 ILE CB C 13 35.280 0.029 . . . . . . . 380 ILE CB . 51947 1
124 . 1 . 1 17 17 ILE CG2 C 13 14.102 0.080 . . . . . . . 380 ILE CG2 . 51947 1
125 . 1 . 1 17 17 ILE CD1 C 13 9.550 0.046 . . . . . . . 380 ILE CD1 . 51947 1
126 . 1 . 1 17 17 ILE N N 15 123.684 0.056 . . . . . . . 380 ILE N . 51947 1
127 . 1 . 1 18 18 PRO HA H 1 4.250 0.000 . . . . . . . 381 PRO HA . 51947 1
128 . 1 . 1 18 18 PRO HB2 H 1 2.092 0.000 . . . . . . . 381 PRO HB2 . 51947 1
129 . 1 . 1 18 18 PRO HB3 H 1 1.659 0.000 . . . . . . . 381 PRO HB3 . 51947 1
130 . 1 . 1 18 18 PRO C C 13 173.538 0.000 . . . . . . . 381 PRO C . 51947 1
131 . 1 . 1 18 18 PRO CA C 13 59.991 0.071 . . . . . . . 381 PRO CA . 51947 1
132 . 1 . 1 18 18 PRO CB C 13 29.037 0.103 . . . . . . . 381 PRO CB . 51947 1
133 . 1 . 1 19 19 LEU H H 1 8.078 0.002 . . . . . . . 382 LEU H . 51947 1
134 . 1 . 1 19 19 LEU HA H 1 4.155 0.000 . . . . . . . 382 LEU HA . 51947 1
135 . 1 . 1 19 19 LEU HB2 H 1 1.440 0.000 . . . . . . . 382 LEU HB2 . 51947 1
136 . 1 . 1 19 19 LEU HB3 H 1 1.324 0.000 . . . . . . . 382 LEU HB3 . 51947 1
137 . 1 . 1 19 19 LEU C C 13 174.250 0.000 . . . . . . . 382 LEU C . 51947 1
138 . 1 . 1 19 19 LEU CA C 13 52.048 0.024 . . . . . . . 382 LEU CA . 51947 1
139 . 1 . 1 19 19 LEU CB C 13 39.544 0.142 . . . . . . . 382 LEU CB . 51947 1
140 . 1 . 1 19 19 LEU N N 15 121.939 0.042 . . . . . . . 382 LEU N . 51947 1
141 . 1 . 1 20 20 PHE H H 1 8.074 0.003 . . . . . . . 383 PHE H . 51947 1
142 . 1 . 1 20 20 PHE HA H 1 4.529 0.000 . . . . . . . 383 PHE HA . 51947 1
143 . 1 . 1 20 20 PHE HB2 H 1 3.035 0.000 . . . . . . . 383 PHE HB2 . 51947 1
144 . 1 . 1 20 20 PHE HB3 H 1 2.915 0.000 . . . . . . . 383 PHE HB3 . 51947 1
145 . 1 . 1 20 20 PHE C C 13 172.328 0.000 . . . . . . . 383 PHE C . 51947 1
146 . 1 . 1 20 20 PHE CA C 13 54.296 0.074 . . . . . . . 383 PHE CA . 51947 1
147 . 1 . 1 20 20 PHE CB C 13 36.627 0.131 . . . . . . . 383 PHE CB . 51947 1
148 . 1 . 1 20 20 PHE N N 15 120.336 0.044 . . . . . . . 383 PHE N . 51947 1
149 . 1 . 1 21 21 ASN H H 1 8.256 0.003 . . . . . . . 384 ASN H . 51947 1
150 . 1 . 1 21 21 ASN HA H 1 4.568 0.000 . . . . . . . 384 ASN HA . 51947 1
151 . 1 . 1 21 21 ASN HB3 H 1 2.622 0.000 . . . . . . . 384 ASN HB3 . 51947 1
152 . 1 . 1 21 21 ASN HD22 H 1 6.758 0.003 . . . . . . . 384 ASN HD22 . 51947 1
153 . 1 . 1 21 21 ASN C C 13 171.580 0.000 . . . . . . . 384 ASN C . 51947 1
154 . 1 . 1 21 21 ASN CA C 13 50.050 0.057 . . . . . . . 384 ASN CA . 51947 1
155 . 1 . 1 21 21 ASN CB C 13 36.170 0.028 . . . . . . . 384 ASN CB . 51947 1
156 . 1 . 1 21 21 ASN N N 15 120.602 0.028 . . . . . . . 384 ASN N . 51947 1
157 . 1 . 1 21 21 ASN ND2 N 15 112.066 0.054 . . . . . . . 384 ASN ND2 . 51947 1
158 . 1 . 1 22 22 ASP H H 1 8.185 0.002 . . . . . . . 385 ASP H . 51947 1
159 . 1 . 1 22 22 ASP HA H 1 4.474 0.000 . . . . . . . 385 ASP HA . 51947 1
160 . 1 . 1 22 22 ASP HB2 H 1 2.604 0.008 . . . . . . . 385 ASP HB2 . 51947 1
161 . 1 . 1 22 22 ASP HB3 H 1 2.533 0.000 . . . . . . . 385 ASP HB3 . 51947 1
162 . 1 . 1 22 22 ASP C C 13 173.526 0.000 . . . . . . . 385 ASP C . 51947 1
163 . 1 . 1 22 22 ASP CA C 13 51.347 0.020 . . . . . . . 385 ASP CA . 51947 1
164 . 1 . 1 22 22 ASP CB C 13 38.020 0.020 . . . . . . . 385 ASP CB . 51947 1
165 . 1 . 1 22 22 ASP N N 15 121.229 0.041 . . . . . . . 385 ASP N . 51947 1
166 . 1 . 1 23 23 VAL H H 1 7.962 0.007 . . . . . . . 386 VAL H . 51947 1
167 . 1 . 1 23 23 VAL HA H 1 3.938 0.016 . . . . . . . 386 VAL HA . 51947 1
168 . 1 . 1 23 23 VAL HB H 1 2.017 0.006 . . . . . . . 386 VAL HB . 51947 1
169 . 1 . 1 23 23 VAL HG11 H 1 0.838 0.019 . . . . . . . 386 VAL HG1 . 51947 1
170 . 1 . 1 23 23 VAL HG12 H 1 0.838 0.019 . . . . . . . 386 VAL HG1 . 51947 1
171 . 1 . 1 23 23 VAL HG13 H 1 0.838 0.019 . . . . . . . 386 VAL HG1 . 51947 1
172 . 1 . 1 23 23 VAL C C 13 173.862 0.000 . . . . . . . 386 VAL C . 51947 1
173 . 1 . 1 23 23 VAL CA C 13 59.921 0.040 . . . . . . . 386 VAL CA . 51947 1
174 . 1 . 1 23 23 VAL CB C 13 29.442 0.021 . . . . . . . 386 VAL CB . 51947 1
175 . 1 . 1 23 23 VAL CG1 C 13 17.804 0.084 . . . . . . . 386 VAL CG1 . 51947 1
176 . 1 . 1 23 23 VAL N N 15 119.936 0.037 . . . . . . . 386 VAL N . 51947 1
177 . 1 . 1 24 24 GLU H H 1 8.328 0.006 . . . . . . . 387 GLU H . 51947 1
178 . 1 . 1 24 24 GLU HA H 1 4.133 0.000 . . . . . . . 387 GLU HA . 51947 1
179 . 1 . 1 24 24 GLU HB3 H 1 1.933 0.001 . . . . . . . 387 GLU HB3 . 51947 1
180 . 1 . 1 24 24 GLU C C 13 174.190 0.000 . . . . . . . 387 GLU C . 51947 1
181 . 1 . 1 24 24 GLU CA C 13 54.158 0.045 . . . . . . . 387 GLU CA . 51947 1
182 . 1 . 1 24 24 GLU CB C 13 26.960 0.074 . . . . . . . 387 GLU CB . 51947 1
183 . 1 . 1 24 24 GLU N N 15 122.992 0.047 . . . . . . . 387 GLU N . 51947 1
184 . 1 . 1 25 25 SER H H 1 8.121 0.004 . . . . . . . 388 SER H . 51947 1
185 . 1 . 1 25 25 SER HA H 1 4.269 0.000 . . . . . . . 388 SER HA . 51947 1
186 . 1 . 1 25 25 SER HB3 H 1 3.781 0.000 . . . . . . . 388 SER HB3 . 51947 1
187 . 1 . 1 25 25 SER C C 13 171.874 0.000 . . . . . . . 388 SER C . 51947 1
188 . 1 . 1 25 25 SER CA C 13 55.799 0.027 . . . . . . . 388 SER CA . 51947 1
189 . 1 . 1 25 25 SER CB C 13 60.682 0.028 . . . . . . . 388 SER CB . 51947 1
190 . 1 . 1 25 25 SER N N 15 116.200 0.040 . . . . . . . 388 SER N . 51947 1
191 . 1 . 1 26 26 ALA H H 1 8.127 0.003 . . . . . . . 389 ALA H . 51947 1
192 . 1 . 1 26 26 ALA HA H 1 4.197 0.000 . . . . . . . 389 ALA HA . 51947 1
193 . 1 . 1 26 26 ALA HB1 H 1 1.295 0.010 . . . . . . . 389 ALA HB . 51947 1
194 . 1 . 1 26 26 ALA HB2 H 1 1.295 0.010 . . . . . . . 389 ALA HB . 51947 1
195 . 1 . 1 26 26 ALA HB3 H 1 1.295 0.010 . . . . . . . 389 ALA HB . 51947 1
196 . 1 . 1 26 26 ALA C C 13 175.096 0.000 . . . . . . . 389 ALA C . 51947 1
197 . 1 . 1 26 26 ALA CA C 13 49.860 0.044 . . . . . . . 389 ALA CA . 51947 1
198 . 1 . 1 26 26 ALA CB C 13 16.203 0.085 . . . . . . . 389 ALA CB . 51947 1
199 . 1 . 1 26 26 ALA N N 15 125.433 0.043 . . . . . . . 389 ALA N . 51947 1
200 . 1 . 1 27 27 LEU H H 1 7.909 0.002 . . . . . . . 390 LEU H . 51947 1
201 . 1 . 1 27 27 LEU HA H 1 4.159 0.000 . . . . . . . 390 LEU HA . 51947 1
202 . 1 . 1 27 27 LEU HB3 H 1 1.542 0.000 . . . . . . . 390 LEU HB3 . 51947 1
203 . 1 . 1 27 27 LEU C C 13 174.437 0.000 . . . . . . . 390 LEU C . 51947 1
204 . 1 . 1 27 27 LEU CA C 13 52.409 0.047 . . . . . . . 390 LEU CA . 51947 1
205 . 1 . 1 27 27 LEU CB C 13 39.179 0.096 . . . . . . . 390 LEU CB . 51947 1
206 . 1 . 1 27 27 LEU N N 15 119.809 0.033 . . . . . . . 390 LEU N . 51947 1
207 . 1 . 1 28 28 ASN H H 1 8.134 0.004 . . . . . . . 391 ASN H . 51947 1
208 . 1 . 1 28 28 ASN HA H 1 4.570 0.000 . . . . . . . 391 ASN HA . 51947 1
209 . 1 . 1 28 28 ASN HB2 H 1 2.737 0.000 . . . . . . . 391 ASN HB2 . 51947 1
210 . 1 . 1 28 28 ASN HB3 H 1 2.645 0.000 . . . . . . . 391 ASN HB3 . 51947 1
211 . 1 . 1 28 28 ASN HD22 H 1 6.854 0.001 . . . . . . . 391 ASN HD22 . 51947 1
212 . 1 . 1 28 28 ASN C C 13 172.245 0.000 . . . . . . . 391 ASN C . 51947 1
213 . 1 . 1 28 28 ASN CA C 13 50.224 0.051 . . . . . . . 391 ASN CA . 51947 1
214 . 1 . 1 28 28 ASN CB C 13 35.767 0.071 . . . . . . . 391 ASN CB . 51947 1
215 . 1 . 1 28 28 ASN N N 15 118.655 0.064 . . . . . . . 391 ASN N . 51947 1
216 . 1 . 1 28 28 ASN ND2 N 15 112.368 0.038 . . . . . . . 391 ASN ND2 . 51947 1
217 . 1 . 1 29 29 LYS H H 1 8.087 0.002 . . . . . . . 392 LYS H . 51947 1
218 . 1 . 1 29 29 LYS HA H 1 4.239 0.000 . . . . . . . 392 LYS HA . 51947 1
219 . 1 . 1 29 29 LYS HB2 H 1 1.780 0.000 . . . . . . . 392 LYS HB2 . 51947 1
220 . 1 . 1 29 29 LYS C C 13 173.538 0.000 . . . . . . . 392 LYS C . 51947 1
221 . 1 . 1 29 29 LYS CA C 13 53.376 0.075 . . . . . . . 392 LYS CA . 51947 1
222 . 1 . 1 29 29 LYS CB C 13 30.017 0.114 . . . . . . . 392 LYS CB . 51947 1
223 . 1 . 1 29 29 LYS N N 15 121.527 0.038 . . . . . . . 392 LYS N . 51947 1
224 . 1 . 1 30 30 SER H H 1 8.206 0.006 . . . . . . . 393 SER H . 51947 1
225 . 1 . 1 30 30 SER HA H 1 4.363 0.006 . . . . . . . 393 SER HA . 51947 1
226 . 1 . 1 30 30 SER HB3 H 1 3.761 0.008 . . . . . . . 393 SER HB3 . 51947 1
227 . 1 . 1 30 30 SER C C 13 171.183 0.000 . . . . . . . 393 SER C . 51947 1
228 . 1 . 1 30 30 SER CA C 13 55.303 0.119 . . . . . . . 393 SER CA . 51947 1
229 . 1 . 1 30 30 SER CB C 13 60.772 0.071 . . . . . . . 393 SER CB . 51947 1
230 . 1 . 1 30 30 SER N N 15 116.740 0.054 . . . . . . . 393 SER N . 51947 1
231 . 1 . 1 31 31 GLU H H 1 8.197 0.003 . . . . . . . 394 GLU H . 51947 1
232 . 1 . 1 31 31 GLU CA C 13 51.418 0.032 . . . . . . . 394 GLU CA . 51947 1
233 . 1 . 1 31 31 GLU CB C 13 26.834 0.000 . . . . . . . 394 GLU CB . 51947 1
234 . 1 . 1 31 31 GLU N N 15 123.527 0.031 . . . . . . . 394 GLU N . 51947 1
235 . 1 . 1 32 32 PRO HA H 1 4.239 0.002 . . . . . . . 395 PRO HA . 51947 1
236 . 1 . 1 32 32 PRO HB2 H 1 2.075 0.000 . . . . . . . 395 PRO HB2 . 51947 1
237 . 1 . 1 32 32 PRO HB3 H 1 1.640 0.000 . . . . . . . 395 PRO HB3 . 51947 1
238 . 1 . 1 32 32 PRO C C 13 173.579 0.000 . . . . . . . 395 PRO C . 51947 1
239 . 1 . 1 32 32 PRO CA C 13 60.327 0.027 . . . . . . . 395 PRO CA . 51947 1
240 . 1 . 1 32 32 PRO CB C 13 28.893 0.077 . . . . . . . 395 PRO CB . 51947 1
241 . 1 . 1 33 33 PHE H H 1 8.006 0.003 . . . . . . . 396 PHE H . 51947 1
242 . 1 . 1 33 33 PHE HA H 1 4.466 0.012 . . . . . . . 396 PHE HA . 51947 1
243 . 1 . 1 33 33 PHE HB3 H 1 2.958 0.003 . . . . . . . 396 PHE HB3 . 51947 1
244 . 1 . 1 33 33 PHE C C 13 172.550 0.000 . . . . . . . 396 PHE C . 51947 1
245 . 1 . 1 33 33 PHE CA C 13 54.281 0.070 . . . . . . . 396 PHE CA . 51947 1
246 . 1 . 1 33 33 PHE CB C 13 36.145 0.013 . . . . . . . 396 PHE CB . 51947 1
247 . 1 . 1 33 33 PHE N N 15 119.340 0.042 . . . . . . . 396 PHE N . 51947 1
248 . 1 . 1 34 34 LEU H H 1 7.900 0.008 . . . . . . . 397 LEU H . 51947 1
249 . 1 . 1 34 34 LEU HA H 1 4.170 0.000 . . . . . . . 397 LEU HA . 51947 1
250 . 1 . 1 34 34 LEU HB2 H 1 1.399 0.006 . . . . . . . 397 LEU HB2 . 51947 1
251 . 1 . 1 34 34 LEU HB3 H 1 1.192 0.000 . . . . . . . 397 LEU HB3 . 51947 1
252 . 1 . 1 34 34 LEU C C 13 173.915 0.000 . . . . . . . 397 LEU C . 51947 1
253 . 1 . 1 34 34 LEU CA C 13 51.956 0.010 . . . . . . . 397 LEU CA . 51947 1
254 . 1 . 1 34 34 LEU CB C 13 39.272 0.003 . . . . . . . 397 LEU CB . 51947 1
255 . 1 . 1 34 34 LEU N N 15 123.783 0.072 . . . . . . . 397 LEU N . 51947 1
256 . 1 . 1 35 35 THR H H 1 7.739 0.002 . . . . . . . 398 THR H . 51947 1
257 . 1 . 1 35 35 THR HA H 1 4.103 0.001 . . . . . . . 398 THR HA . 51947 1
258 . 1 . 1 35 35 THR HB H 1 4.008 0.009 . . . . . . . 398 THR HB . 51947 1
259 . 1 . 1 35 35 THR HG21 H 1 0.982 0.004 . . . . . . . 398 THR HG2 . 51947 1
260 . 1 . 1 35 35 THR HG22 H 1 0.982 0.004 . . . . . . . 398 THR HG2 . 51947 1
261 . 1 . 1 35 35 THR HG23 H 1 0.982 0.004 . . . . . . . 398 THR HG2 . 51947 1
262 . 1 . 1 35 35 THR C C 13 170.847 0.000 . . . . . . . 398 THR C . 51947 1
263 . 1 . 1 35 35 THR CA C 13 58.690 0.048 . . . . . . . 398 THR CA . 51947 1
264 . 1 . 1 35 35 THR CB C 13 66.812 0.090 . . . . . . . 398 THR CB . 51947 1
265 . 1 . 1 35 35 THR CG2 C 13 18.220 0.000 . . . . . . . 398 THR CG2 . 51947 1
266 . 1 . 1 35 35 THR N N 15 114.046 0.023 . . . . . . . 398 THR N . 51947 1
267 . 1 . 1 36 36 TRP H H 1 7.861 0.005 . . . . . . . 399 TRP H . 51947 1
268 . 1 . 1 36 36 TRP HA H 1 4.652 0.008 . . . . . . . 399 TRP HA . 51947 1
269 . 1 . 1 36 36 TRP HB2 H 1 3.238 0.000 . . . . . . . 399 TRP HB2 . 51947 1
270 . 1 . 1 36 36 TRP HB3 H 1 3.134 0.000 . . . . . . . 399 TRP HB3 . 51947 1
271 . 1 . 1 36 36 TRP HE1 H 1 10.023 0.000 . . . . . . . 399 TRP HE1 . 51947 1
272 . 1 . 1 36 36 TRP C C 13 171.964 0.000 . . . . . . . 399 TRP C . 51947 1
273 . 1 . 1 36 36 TRP CA C 13 53.821 0.034 . . . . . . . 399 TRP CA . 51947 1
274 . 1 . 1 36 36 TRP CB C 13 26.523 0.021 . . . . . . . 399 TRP CB . 51947 1
275 . 1 . 1 36 36 TRP N N 15 122.845 0.046 . . . . . . . 399 TRP N . 51947 1
276 . 1 . 1 36 36 TRP NE1 N 15 129.272 0.000 . . . . . . . 399 TRP NE1 . 51947 1
277 . 1 . 1 37 37 LEU H H 1 7.552 0.002 . . . . . . . 400 LEU H . 51947 1
278 . 1 . 1 37 37 LEU CB C 13 40.509 0.000 . . . . . . . 400 LEU CB . 51947 1
279 . 1 . 1 37 37 LEU N N 15 128.893 0.035 . . . . . . . 400 LEU N . 51947 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name 'peak list 1 15N-hsqc'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-15N HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . N 15 N* . 'not observed' 1946.168 Hz . . . . . . 51947 1
2 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 1
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 333954777088.000000 . height 51947 1
2 280172068864.000000 . height 51947 1
3 284023881728.000000 . height 51947 1
4 206290255872.000000 . height 51947 1
5 171686707200.000000 . height 51947 1
6 205920862208.000000 . height 51947 1
7 406275719168.000000 . height 51947 1
8 182966517760.000000 . height 51947 1
9 129582604288.000000 . height 51947 1
10 313784500224.000000 . height 51947 1
11 314510016512.000000 . height 51947 1
12 160475414528.000000 . height 51947 1
13 179094601728.000000 . height 51947 1
14 359969718272.000000 . height 51947 1
15 392929509376.000000 . height 51947 1
16 335453126656.000000 . height 51947 1
17 153718784000.000000 . height 51947 1
18 297369862144.000000 . height 51947 1
19 310260563968.000000 . height 51947 1
20 299593957376.000000 . height 51947 1
21 498055118848.000000 . height 51947 1
22 85661351936.000000 . height 51947 1
23 102795993088.000000 . height 51947 1
24 82873769984.000000 . height 51947 1
25 175964602368.000000 . height 51947 1
26 288475348992.000000 . height 51947 1
27 150610739200.000000 . height 51947 1
28 76992995328.000000 . height 51947 1
29 237531332608.000000 . height 51947 1
30 315403567104.000000 . height 51947 1
31 208903634944.000000 . height 51947 1
32 45902495744.000000 . height 51947 1
33 74881908736.000000 . height 51947 1
34 369949900800.000000 . height 51947 1
35 374955212800.000000 . height 51947 1
36 351032442880.000000 . height 51947 1
37 292955226112.000000 . height 51947 1
38 259201712128.000000 . height 51947 1
39 151705518080.000000 . height 51947 1
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 120.325 . . . . . . . . . . . . . 51947 1
1 2 8.074 . . . . . . . . . . . . . 51947 1
2 1 120.192 . . . . . . . . . . . . . 51947 1
2 2 8.017 . . . . . . . . . . . . . 51947 1
3 1 119.939 . . . . . . . . . . . . . 51947 1
3 2 7.962 . . . . . . . . . . . . . 51947 1
4 1 119.808 . . . . . . . . . . . . . 51947 1
4 2 7.910 . . . . . . . . . . . . . 51947 1
5 1 119.337 . . . . . . . . . . . . . 51947 1
5 2 8.006 . . . . . . . . . . . . . 51947 1
6 1 121.209 . . . . . . . . . . . . . 51947 1
6 2 8.184 . . . . . . . . . . . . . 51947 1
7 1 120.696 . . . . . . . . . . . . . 51947 1
7 2 8.215 . . . . . . . . . . . . . 51947 1
8 1 120.591 . . . . . . . . . . . . . 51947 1
8 2 8.255 . . . . . . . . . . . . . 51947 1
9 1 118.583 . . . . . . . . . . . . . 51947 1
9 2 8.133 . . . . . . . . . . . . . 51947 1
10 1 121.926 . . . . . . . . . . . . . 51947 1
10 2 8.078 . . . . . . . . . . . . . 51947 1
11 1 121.935 . . . . . . . . . . . . . 51947 1
11 2 7.951 . . . . . . . . . . . . . 51947 1
12 1 122.836 . . . . . . . . . . . . . 51947 1
12 2 7.856 . . . . . . . . . . . . . 51947 1
13 1 123.773 . . . . . . . . . . . . . 51947 1
13 2 7.901 . . . . . . . . . . . . . 51947 1
14 1 123.693 . . . . . . . . . . . . . 51947 1
14 2 7.973 . . . . . . . . . . . . . 51947 1
15 1 123.863 . . . . . . . . . . . . . 51947 1
15 2 8.289 . . . . . . . . . . . . . 51947 1
16 1 123.589 . . . . . . . . . . . . . 51947 1
16 2 8.236 . . . . . . . . . . . . . 51947 1
17 1 123.541 . . . . . . . . . . . . . 51947 1
17 2 8.198 . . . . . . . . . . . . . 51947 1
18 1 124.525 . . . . . . . . . . . . . 51947 1
18 2 8.165 . . . . . . . . . . . . . 51947 1
19 1 122.993 . . . . . . . . . . . . . 51947 1
19 2 8.326 . . . . . . . . . . . . . 51947 1
20 1 122.874 . . . . . . . . . . . . . 51947 1
20 2 8.426 . . . . . . . . . . . . . 51947 1
21 1 121.734 . . . . . . . . . . . . . 51947 1
21 2 8.364 . . . . . . . . . . . . . 51947 1
22 1 121.376 . . . . . . . . . . . . . 51947 1
22 2 8.435 . . . . . . . . . . . . . 51947 1
23 1 125.419 . . . . . . . . . . . . . 51947 1
23 2 8.126 . . . . . . . . . . . . . 51947 1
24 1 116.763 . . . . . . . . . . . . . 51947 1
24 2 8.206 . . . . . . . . . . . . . 51947 1
25 1 116.194 . . . . . . . . . . . . . 51947 1
25 2 8.121 . . . . . . . . . . . . . 51947 1
26 1 116.140 . . . . . . . . . . . . . 51947 1
26 2 8.155 . . . . . . . . . . . . . 51947 1
27 1 114.057 . . . . . . . . . . . . . 51947 1
27 2 7.739 . . . . . . . . . . . . . 51947 1
28 1 113.786 . . . . . . . . . . . . . 51947 1
28 2 8.180 . . . . . . . . . . . . . 51947 1
29 1 113.615 . . . . . . . . . . . . . 51947 1
29 2 7.872 . . . . . . . . . . . . . 51947 1
30 1 108.875 . . . . . . . . . . . . . 51947 1
30 2 8.400 . . . . . . . . . . . . . 51947 1
31 1 128.870 . . . . . . . . . . . . . 51947 1
31 2 7.550 . . . . . . . . . . . . . 51947 1
32 1 129.272 . . . . . . . . . . . . . 51947 1
32 2 10.023 . . . . . . . . . . . . . 51947 1
33 1 121.469 . . . . . . . . . . . . . 51947 1
33 2 8.086 . . . . . . . . . . . . . 51947 1
34 1 112.994 . . . . . . . . . . . . . 51947 1
34 2 7.527 . . . . . . . . . . . . . 51947 1
35 1 112.545 . . . . . . . . . . . . . 51947 1
35 2 7.482 . . . . . . . . . . . . . 51947 1
36 1 113.074 . . . . . . . . . . . . . 51947 1
36 2 6.844 . . . . . . . . . . . . . 51947 1
37 1 112.525 . . . . . . . . . . . . . 51947 1
37 2 6.758 . . . . . . . . . . . . . 51947 1
38 1 112.825 . . . . . . . . . . . . . 51947 1
38 2 7.509 . . . . . . . . . . . . . 51947 1
39 1 112.796 . . . . . . . . . . . . . 51947 1
39 2 6.813 . . . . . . . . . . . . . 51947 1
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 120.325 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 1
1 2 . . . 8.074 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 1
2 1 . . . 120.192 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 1
2 2 . . . 8.017 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 1
3 1 . . . 119.939 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 1
3 2 . . . 7.962 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 1
4 1 . . . 119.808 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 1
4 2 . . . 7.910 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 1
5 1 . . . 119.337 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 1
5 2 . . . 8.006 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 1
6 1 . . . 121.209 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 1
6 2 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 1
7 1 . . . 120.696 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 1
7 2 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 1
8 1 . . . 120.591 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 1
8 2 . . . 8.255 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 1
9 1 . . . 118.583 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 1
9 2 . . . 8.133 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 1
10 1 . . . 121.926 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 1
10 2 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 1
11 1 . . . 121.935 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 1
11 2 . . . 7.951 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 1
12 1 . . . 122.836 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 1
12 2 . . . 7.856 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 1
13 1 . . . 123.773 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 1
13 2 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 1
14 1 . . . 123.693 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 1
14 2 . . . 7.973 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 1
15 1 . . . 123.863 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 1
15 2 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 1
16 1 . . . 123.589 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 1
16 2 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 1
17 1 . . . 123.541 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 1
17 2 . . . 8.198 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 1
18 1 . . . 124.525 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 1
18 2 . . . 8.165 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 1
19 1 . . . 122.993 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 1
19 2 . . . 8.326 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 1
20 1 . . . 122.874 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 1
20 2 . . . 8.426 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 1
21 1 . . . 121.734 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 1
21 2 . . . 8.364 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 1
22 1 . . . 121.376 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 1
22 2 . . . 8.435 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 1
23 1 . . . 125.419 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 1
23 2 . . . 8.126 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 1
24 1 . . . 116.763 . . . . . . 393 SER N . . . . . . . . . . . . 51947 1
24 2 . . . 8.206 . . . . . . 393 SER H . . . . . . . . . . . . 51947 1
25 1 . . . 116.194 . . . . . . 388 SER N . . . . . . . . . . . . 51947 1
25 2 . . . 8.121 . . . . . . 388 SER H . . . . . . . . . . . . 51947 1
26 1 . . . 116.140 . . . . . . 376 SER N . . . . . . . . . . . . 51947 1
26 2 . . . 8.155 . . . . . . 376 SER H . . . . . . . . . . . . 51947 1
27 1 . . . 114.057 . . . . . . 398 THR N . . . . . . . . . . . . 51947 1
27 2 . . . 7.739 . . . . . . 398 THR H . . . . . . . . . . . . 51947 1
28 1 . . . 113.786 . . . . . . 367 THR N . . . . . . . . . . . . 51947 1
28 2 . . . 8.180 . . . . . . 367 THR H . . . . . . . . . . . . 51947 1
29 1 . . . 113.615 . . . . . . 373 THR N . . . . . . . . . . . . 51947 1
29 2 . . . 7.872 . . . . . . 373 THR H . . . . . . . . . . . . 51947 1
30 1 . . . 108.875 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 1
30 2 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 1
31 1 . . . 128.870 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 1
31 2 . . . 7.550 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 1
32 1 . . . 129.272 . . . . . . 399 TRP NE1 . . . . . . . . . . . . 51947 1
32 2 . . . 10.023 . . . . . . 399 TRP HE1 . . . . . . . . . . . . 51947 1
33 1 . . . 121.469 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 1
33 2 . . . 8.086 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 1
34 1 . . . 112.994 . . . . . . . . . . . . . . . . . . . . . 51947 1
34 2 . . . 7.527 . . . . . . . . . . . . . . . . . . . . . 51947 1
35 1 . . . 112.545 . . . . . . . . . . . . . . . . . . . . . 51947 1
35 2 . . . 7.482 . . . . . . . . . . . . . . . . . . . . . 51947 1
36 1 . . . 113.074 . . . . . . . . . . . . . . . . . . . . . 51947 1
36 2 . . . 6.844 . . . . . . . . . . . . . . . . . . . . . 51947 1
37 1 . . . 112.525 . . . . . . . . . . . . . . . . . . . . . 51947 1
37 2 . . . 6.758 . . . . . . . . . . . . . . . . . . . . . 51947 1
38 1 . . . 112.825 . . . . . . . . . . . . . . . . . . . . . 51947 1
38 2 . . . 7.509 . . . . . . . . . . . . . . . . . . . . . 51947 1
39 1 . . . 112.796 . . . . . . . . . . . . . . . . . . . . . 51947 1
39 2 . . . 6.813 . . . . . . . . . . . . . . . . . . . . . 51947 1
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . 333954777088.000000 . . . 120.325 . 8.074 . . . . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . . . . . . . . . 51947 1
. 10 . . . 313784500224.000000 . . . 121.926 . 8.078 . . . . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . . . . . . . . . 51947 1
. 11 . . . 314510016512.000000 . . . 121.935 . 7.951 . . . . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . . . . . . . . . 51947 1
. 12 . . . 160475414528.000000 . . . 122.836 . 7.856 . . . . . . . 399 . TRP N . . . . 399 . TRP H . . . . . . . . . . . . . . . . . . 51947 1
. 13 . . . 179094601728.000000 . . . 123.773 . 7.901 . . . . . . . 397 . LEU N . . . . 397 . LEU H . . . . . . . . . . . . . . . . . . 51947 1
. 14 . . . 359969718272.000000 . . . 123.693 . 7.973 . . . . . . . 380 . ILE N . . . . 380 . ILE H . . . . . . . . . . . . . . . . . . 51947 1
. 15 . . . 392929509376.000000 . . . 123.863 . 8.289 . . . . . . . 370 . ASP N . . . . 370 . ASP H . . . . . . . . . . . . . . . . . . 51947 1
. 16 . . . 335453126656.000000 . . . 123.589 . 8.236 . . . . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . . . . . . . . . 51947 1
. 17 . . . 153718784000.000000 . . . 123.541 . 8.198 . . . . . . . 394 . GLU N . . . . 394 . GLU H . . . . . . . . . . . . . . . . . . 51947 1
. 18 . . . 297369862144.000000 . . . 124.525 . 8.165 . . . . . . . 374 . LEU N . . . . 374 . LEU H . . . . . . . . . . . . . . . . . . 51947 1
. 19 . . . 310260563968.000000 . . . 122.993 . 8.326 . . . . . . . 387 . GLU N . . . . 387 . GLU H . . . . . . . . . . . . . . . . . . 51947 1
. 2 . . . 280172068864.000000 . . . 120.192 . 8.017 . . . . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . . . . . . . . . 51947 1
. 20 . . . 299593957376.000000 . . . 122.874 . 8.426 . . . . . . . 377 . GLU N . . . . 377 . GLU H . . . . . . . . . . . . . . . . . . 51947 1
. 21 . . . 498055118848.000000 . . . 121.734 . 8.364 . . . . . . . 375 . GLU N . . . . 375 . GLU H . . . . . . . . . . . . . . . . . . 51947 1
. 22 . . . 85661351936.000000 . . . 121.376 . 8.435 . . . . . . . 368 . ASN N . . . . 368 . ASN H . . . . . . . . . . . . . . . . . . 51947 1
. 23 . . . 102795993088.000000 . . . 125.419 . 8.126 . . . . . . . 389 . ALA N . . . . 389 . ALA H . . . . . . . . . . . . . . . . . . 51947 1
. 24 . . . 82873769984.000000 . . . 116.763 . 8.206 . . . . . . . 393 . SER N . . . . 393 . SER H . . . . . . . . . . . . . . . . . . 51947 1
. 25 . . . 175964602368.000000 . . . 116.194 . 8.121 . . . . . . . 388 . SER N . . . . 388 . SER H . . . . . . . . . . . . . . . . . . 51947 1
. 26 . . . 288475348992.000000 . . . 116.140 . 8.155 . . . . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . . . . . . . . . 51947 1
. 27 . . . 150610739200.000000 . . . 114.057 . 7.739 . . . . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . . . . . . . . . 51947 1
. 28 . . . 76992995328.000000 . . . 113.786 . 8.180 . . . . . . . 367 . THR N . . . . 367 . THR H . . . . . . . . . . . . . . . . . . 51947 1
. 29 . . . 237531332608.000000 . . . 113.615 . 7.872 . . . . . . . 373 . THR N . . . . 373 . THR H . . . . . . . . . . . . . . . . . . 51947 1
. 3 . . . 284023881728.000000 . . . 119.939 . 7.962 . . . . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . . . . . . . . . 51947 1
. 30 . . . 315403567104.000000 . . . 108.875 . 8.400 . . . . . . . 372 . GLY N . . . . 372 . GLY H . . . . . . . . . . . . . . . . . . 51947 1
. 31 . . . 208903634944.000000 . . . 128.870 . 7.550 . . . . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . . . . . . . . . 51947 1
. 32 . . . 45902495744.000000 . . . 129.272 . 10.023 . . . . . . . 399 . TRP NE1 . . . . 399 . TRP HE1 . . . . . . . . . . . . . . . . . . 51947 1
. 33 . . . 74881908736.000000 . . . 121.469 . 8.086 . . . . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . . . . . . . . . 51947 1
. 34 . . . 369949900800.000000 . . . 112.994 . 7.527 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1
. 35 . . . 374955212800.000000 . . . 112.545 . 7.482 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1
. 36 . . . 351032442880.000000 . . . 113.074 . 6.844 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1
. 37 . . . 292955226112.000000 . . . 112.525 . 6.758 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1
. 38 . . . 259201712128.000000 . . . 112.825 . 7.509 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1
. 39 . . . 151705518080.000000 . . . 112.796 . 6.813 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51947 1
. 4 . . . 206290255872.000000 . . . 119.808 . 7.910 . . . . . . . 390 . LEU N . . . . 390 . LEU H . . . . . . . . . . . . . . . . . . 51947 1
. 5 . . . 171686707200.000000 . . . 119.337 . 8.006 . . . . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . . . . . . . . . 51947 1
. 6 . . . 205920862208.000000 . . . 121.209 . 8.184 . . . . . . . 385 . ASP N . . . . 385 . ASP H . . . . . . . . . . . . . . . . . . 51947 1
. 7 . . . 406275719168.000000 . . . 120.696 . 8.215 . . . . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . . . . . . . . . 51947 1
. 8 . . . 182966517760.000000 . . . 120.591 . 8.255 . . . . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . . . . . . . . . 51947 1
. 9 . . . 129582604288.000000 . . . 118.583 . 8.133 . . . . . . . 391 . ASN N . . . . 391 . ASN H . . . . . . . . . . . . . . . . . . 51947 1
stop_
save_
save_spectral_peak_list_2
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_2
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 2
_Spectral_peak_list.Name 'peak list 2 cbcanh scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 2
_Spectral_peak_list.Experiment_name '3D CBCANH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . N 15 N* . 'not observed' 2682 Hz . . . . . . 51947 2
2 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 2
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 2
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 2
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 7687564165120.000000 . height 51947 2
2 2296785141760.000000 . height 51947 2
3 -2406346653696.000000 . height 51947 2
4 1095838531584.000000 . height 51947 2
5 -3128287035392.000000 . height 51947 2
6 1413591072768.000000 . height 51947 2
7 2428720906240.000000 . height 51947 2
8 798331961344.000000 . height 51947 2
9 -1678628880384.000000 . height 51947 2
10 72888852480.000000 . height 51947 2
11 116553506816.000000 . height 51947 2
12 0.0 . height 51947 2
13 0.0 . height 51947 2
14 -149395193856.000000 . height 51947 2
15 112502571008.000000 . height 51947 2
16 -88498061312.000000 . height 51947 2
17 -506717274112.000000 . height 51947 2
18 479210635264.000000 . height 51947 2
19 -140732268544.000000 . height 51947 2
20 -235151736832.000000 . height 51947 2
21 1114410582016.000000 . height 51947 2
22 -1896419950592.000000 . height 51947 2
23 -229121867776.000000 . height 51947 2
24 67157028864.000000 . height 51947 2
25 68660252672.000000 . height 51947 2
26 -49615609856.000000 . height 51947 2
27 1844038729728.000000 . height 51947 2
28 -968610283520.000000 . height 51947 2
29 -111901982720.000000 . height 51947 2
30 -434520621056.000000 . height 51947 2
31 314145341440.000000 . height 51947 2
32 340834484224.000000 . height 51947 2
33 -175950512128.000000 . height 51947 2
34 -474840498176.000000 . height 51947 2
35 143117025280.000000 . height 51947 2
36 149006974976.000000 . height 51947 2
37 93221502976.000000 . height 51947 2
38 112149315584.000000 . height 51947 2
39 77487669248.000000 . height 51947 2
40 -126998978560.000000 . height 51947 2
41 -192011075584.000000 . height 51947 2
42 113718968320.000000 . height 51947 2
43 72341225472.000000 . height 51947 2
44 -60537298944.000000 . height 51947 2
45 449353449472.000000 . height 51947 2
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48 334870708224.000000 . height 51947 2
49 2379289722880.000000 . height 51947 2
50 121946849280.000000 . height 51947 2
51 -2441433317376.000000 . height 51947 2
52 -158519721984.000000 . height 51947 2
53 1972145094656.000000 . height 51947 2
54 -1952189120512.000000 . height 51947 2
55 -649161998336.000000 . height 51947 2
56 933180604416.000000 . height 51947 2
57 46643376128.000000 . height 51947 2
58 140276203520.000000 . height 51947 2
59 114959843328.000000 . height 51947 2
60 -169374138368.000000 . height 51947 2
61 -332676988928.000000 . height 51947 2
62 97301585920.000000 . height 51947 2
63 152754831360.000000 . height 51947 2
64 -131256696832.000000 . height 51947 2
65 -271097495552.000000 . height 51947 2
66 141034045440.000000 . height 51947 2
67 101503836160.000000 . height 51947 2
68 -63781277696.000000 . height 51947 2
69 -158685495296.000000 . height 51947 2
70 -97566089216.000000 . height 51947 2
71 -87999307776.000000 . height 51947 2
72 80269148160.000000 . height 51947 2
73 77856628736.000000 . height 51947 2
74 -2026430791680.000000 . height 51947 2
75 111166881792.000000 . height 51947 2
76 -101642436608.000000 . height 51947 2
77 794539327488.000000 . height 51947 2
78 -1037317570560.000000 . height 51947 2
79 994261598208.000000 . height 51947 2
80 582427803648.000000 . height 51947 2
81 -2340752457728.000000 . height 51947 2
82 -3076749000704.000000 . height 51947 2
83 -928425443328.000000 . height 51947 2
84 -1265375379456.000000 . height 51947 2
85 2227707576320.000000 . height 51947 2
86 2712904400896.000000 . height 51947 2
87 -120934473728.000000 . height 51947 2
88 93247430656.000000 . height 51947 2
89 0.0 . height 51947 2
90 2351563538432.000000 . height 51947 2
91 -2321569021952.000000 . height 51947 2
92 111092498432.000000 . height 51947 2
93 0.0 . height 51947 2
94 -188249079808.000000 . height 51947 2
95 100601290752.000000 . height 51947 2
96 -238961524736.000000 . height 51947 2
97 117077557248.000000 . height 51947 2
98 89626886144.000000 . height 51947 2
99 -256078725120.000000 . height 51947 2
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 108.838 . . . . . . . . . . . . . 51947 2
1 2 42.558 . . . . . . . . . . . . . 51947 2
1 3 8.400 . . . . . . . . . . . . . 51947 2
2 1 113.717 . . . . . . . . . . . . . 51947 2
2 2 42.371 . . . . . . . . . . . . . 51947 2
2 3 8.187 . . . . . . . . . . . . . 51947 2
3 1 113.807 . . . . . . . . . . . . . 51947 2
3 2 58.711 . . . . . . . . . . . . . 51947 2
3 3 8.186 . . . . . . . . . . . . . 51947 2
4 1 113.867 . . . . . . . . . . . . . 51947 2
4 2 66.617 . . . . . . . . . . . . . 51947 2
4 3 8.187 . . . . . . . . . . . . . 51947 2
5 1 113.589 . . . . . . . . . . . . . 51947 2
5 2 58.839 . . . . . . . . . . . . . 51947 2
5 3 7.871 . . . . . . . . . . . . . 51947 2
6 1 113.579 . . . . . . . . . . . . . 51947 2
6 2 66.683 . . . . . . . . . . . . . 51947 2
6 3 7.876 . . . . . . . . . . . . . 51947 2
7 1 113.593 . . . . . . . . . . . . . 51947 2
7 2 42.578 . . . . . . . . . . . . . 51947 2
7 3 7.872 . . . . . . . . . . . . . 51947 2
8 1 114.054 . . . . . . . . . . . . . 51947 2
8 2 66.740 . . . . . . . . . . . . . 51947 2
8 3 7.739 . . . . . . . . . . . . . 51947 2
9 1 114.057 . . . . . . . . . . . . . 51947 2
9 2 58.621 . . . . . . . . . . . . . 51947 2
9 3 7.739 . . . . . . . . . . . . . 51947 2
10 1 128.894 . . . . . . . . . . . . . 51947 2
10 2 40.509 . . . . . . . . . . . . . 51947 2
10 3 7.552 . . . . . . . . . . . . . 51947 2
11 1 128.918 . . . . . . . . . . . . . 51947 2
11 2 26.496 . . . . . . . . . . . . . 51947 2
11 3 7.552 . . . . . . . . . . . . . 51947 2
12 1 125.454 . . . . . . . . . . . . . 51947 2
12 2 16.226 . . . . . . . . . . . . . 51947 2
12 3 8.130 . . . . . . . . . . . . . 51947 2
13 1 125.431 . . . . . . . . . . . . . 51947 2
13 2 49.835 . . . . . . . . . . . . . 51947 2
13 3 8.130 . . . . . . . . . . . . . 51947 2
14 1 124.572 . . . . . . . . . . . . . 51947 2
14 2 58.770 . . . . . . . . . . . . . 51947 2
14 3 8.167 . . . . . . . . . . . . . 51947 2
15 1 124.587 . . . . . . . . . . . . . 51947 2
15 2 39.497 . . . . . . . . . . . . . 51947 2
15 3 8.166 . . . . . . . . . . . . . 51947 2
16 1 124.584 . . . . . . . . . . . . . 51947 2
16 2 52.266 . . . . . . . . . . . . . 51947 2
16 3 8.164 . . . . . . . . . . . . . 51947 2
17 1 123.891 . . . . . . . . . . . . . 51947 2
17 2 51.150 . . . . . . . . . . . . . 51947 2
17 3 8.288 . . . . . . . . . . . . . 51947 2
18 1 123.891 . . . . . . . . . . . . . 51947 2
18 2 38.222 . . . . . . . . . . . . . 51947 2
18 3 8.289 . . . . . . . . . . . . . 51947 2
19 1 123.887 . . . . . . . . . . . . . 51947 2
19 2 59.255 . . . . . . . . . . . . . 51947 2
19 3 8.289 . . . . . . . . . . . . . 51947 2
20 1 123.626 . . . . . . . . . . . . . 51947 2
20 2 51.155 . . . . . . . . . . . . . 51947 2
20 3 8.235 . . . . . . . . . . . . . 51947 2
21 1 123.529 . . . . . . . . . . . . . 51947 2
21 2 26.834 . . . . . . . . . . . . . 51947 2
21 3 8.195 . . . . . . . . . . . . . 51947 2
22 1 123.534 . . . . . . . . . . . . . 51947 2
22 2 51.385 . . . . . . . . . . . . . 51947 2
22 3 8.193 . . . . . . . . . . . . . 51947 2
23 1 123.724 . . . . . . . . . . . . . 51947 2
23 2 55.798 . . . . . . . . . . . . . 51947 2
23 3 7.972 . . . . . . . . . . . . . 51947 2
24 1 123.794 . . . . . . . . . . . . . 51947 2
24 2 35.214 . . . . . . . . . . . . . 51947 2
24 3 7.973 . . . . . . . . . . . . . 51947 2
25 1 123.902 . . . . . . . . . . . . . 51947 2
25 2 39.269 . . . . . . . . . . . . . 51947 2
25 3 7.904 . . . . . . . . . . . . . 51947 2
26 1 123.832 . . . . . . . . . . . . . 51947 2
26 2 51.957 . . . . . . . . . . . . . 51947 2
26 3 7.905 . . . . . . . . . . . . . 51947 2
27 1 122.845 . . . . . . . . . . . . . 51947 2
27 2 26.528 . . . . . . . . . . . . . 51947 2
27 3 7.859 . . . . . . . . . . . . . 51947 2
28 1 122.841 . . . . . . . . . . . . . 51947 2
28 2 53.859 . . . . . . . . . . . . . 51947 2
28 3 7.875 . . . . . . . . . . . . . 51947 2
29 1 123.013 . . . . . . . . . . . . . 51947 2
29 2 59.918 . . . . . . . . . . . . . 51947 2
29 3 8.327 . . . . . . . . . . . . . 51947 2
30 1 123.021 . . . . . . . . . . . . . 51947 2
30 2 54.145 . . . . . . . . . . . . . 51947 2
30 3 8.327 . . . . . . . . . . . . . 51947 2
31 1 123.024 . . . . . . . . . . . . . 51947 2
31 2 26.968 . . . . . . . . . . . . . 51947 2
31 3 8.327 . . . . . . . . . . . . . 51947 2
32 1 122.924 . . . . . . . . . . . . . 51947 2
32 2 27.155 . . . . . . . . . . . . . 51947 2
32 3 8.428 . . . . . . . . . . . . . 51947 2
33 1 122.879 . . . . . . . . . . . . . 51947 2
33 2 55.377 . . . . . . . . . . . . . 51947 2
33 3 8.428 . . . . . . . . . . . . . 51947 2
34 1 122.905 . . . . . . . . . . . . . 51947 2
34 2 53.781 . . . . . . . . . . . . . 51947 2
34 3 8.427 . . . . . . . . . . . . . 51947 2
35 1 122.980 . . . . . . . . . . . . . 51947 2
35 2 60.864 . . . . . . . . . . . . . 51947 2
35 3 8.427 . . . . . . . . . . . . . 51947 2
36 1 121.928 . . . . . . . . . . . . . 51947 2
36 2 38.030 . . . . . . . . . . . . . 51947 2
36 3 7.951 . . . . . . . . . . . . . 51947 2
37 1 121.947 . . . . . . . . . . . . . 51947 2
37 2 39.236 . . . . . . . . . . . . . 51947 2
37 3 7.948 . . . . . . . . . . . . . 51947 2
38 1 121.975 . . . . . . . . . . . . . 51947 2
38 2 28.934 . . . . . . . . . . . . . 51947 2
38 3 8.078 . . . . . . . . . . . . . 51947 2
39 1 122.001 . . . . . . . . . . . . . 51947 2
39 2 39.503 . . . . . . . . . . . . . 51947 2
39 3 8.078 . . . . . . . . . . . . . 51947 2
40 1 121.979 . . . . . . . . . . . . . 51947 2
40 2 60.054 . . . . . . . . . . . . . 51947 2
40 3 8.078 . . . . . . . . . . . . . 51947 2
41 1 121.541 . . . . . . . . . . . . . 51947 2
41 2 53.303 . . . . . . . . . . . . . 51947 2
41 3 8.087 . . . . . . . . . . . . . 51947 2
42 1 121.537 . . . . . . . . . . . . . 51947 2
42 2 29.938 . . . . . . . . . . . . . 51947 2
42 3 8.088 . . . . . . . . . . . . . 51947 2
43 1 121.468 . . . . . . . . . . . . . 51947 2
43 2 35.862 . . . . . . . . . . . . . 51947 2
43 3 8.087 . . . . . . . . . . . . . 51947 2
44 1 121.501 . . . . . . . . . . . . . 51947 2
44 2 50.259 . . . . . . . . . . . . . 51947 2
44 3 8.088 . . . . . . . . . . . . . 51947 2
45 1 121.759 . . . . . . . . . . . . . 51947 2
45 2 27.119 . . . . . . . . . . . . . 51947 2
45 3 8.365 . . . . . . . . . . . . . 51947 2
46 1 121.752 . . . . . . . . . . . . . 51947 2
46 2 53.626 . . . . . . . . . . . . . 51947 2
46 3 8.365 . . . . . . . . . . . . . 51947 2
47 1 121.390 . . . . . . . . . . . . . 51947 2
47 2 50.354 . . . . . . . . . . . . . 51947 2
47 3 8.431 . . . . . . . . . . . . . 51947 2
48 1 121.403 . . . . . . . . . . . . . 51947 2
48 2 35.851 . . . . . . . . . . . . . 51947 2
48 3 8.432 . . . . . . . . . . . . . 51947 2
49 1 121.279 . . . . . . . . . . . . . 51947 2
49 2 38.036 . . . . . . . . . . . . . 51947 2
49 3 8.186 . . . . . . . . . . . . . 51947 2
50 1 121.258 . . . . . . . . . . . . . 51947 2
50 2 36.173 . . . . . . . . . . . . . 51947 2
50 3 8.185 . . . . . . . . . . . . . 51947 2
51 1 121.278 . . . . . . . . . . . . . 51947 2
51 2 51.374 . . . . . . . . . . . . . 51947 2
51 3 8.184 . . . . . . . . . . . . . 51947 2
52 1 120.729 . . . . . . . . . . . . . 51947 2
52 2 53.954 . . . . . . . . . . . . . 51947 2
52 3 8.219 . . . . . . . . . . . . . 51947 2
53 1 120.684 . . . . . . . . . . . . . 51947 2
53 2 38.029 . . . . . . . . . . . . . 51947 2
53 3 8.226 . . . . . . . . . . . . . 51947 2
54 1 120.608 . . . . . . . . . . . . . 51947 2
54 2 51.391 . . . . . . . . . . . . . 51947 2
54 3 8.226 . . . . . . . . . . . . . 51947 2
55 1 120.417 . . . . . . . . . . . . . 51947 2
55 2 54.201 . . . . . . . . . . . . . 51947 2
55 3 8.065 . . . . . . . . . . . . . 51947 2
56 1 120.338 . . . . . . . . . . . . . 51947 2
56 2 36.497 . . . . . . . . . . . . . 51947 2
56 3 8.073 . . . . . . . . . . . . . 51947 2
57 1 120.430 . . . . . . . . . . . . . 51947 2
57 2 39.735 . . . . . . . . . . . . . 51947 2
57 3 8.075 . . . . . . . . . . . . . 51947 2
58 1 120.225 . . . . . . . . . . . . . 51947 2
58 2 35.804 . . . . . . . . . . . . . 51947 2
58 3 8.019 . . . . . . . . . . . . . 51947 2
59 1 120.204 . . . . . . . . . . . . . 51947 2
59 2 29.583 . . . . . . . . . . . . . 51947 2
59 3 8.018 . . . . . . . . . . . . . 51947 2
60 1 120.210 . . . . . . . . . . . . . 51947 2
60 2 50.270 . . . . . . . . . . . . . 51947 2
60 3 8.020 . . . . . . . . . . . . . 51947 2
61 1 120.199 . . . . . . . . . . . . . 51947 2
61 2 59.263 . . . . . . . . . . . . . 51947 2
61 3 8.020 . . . . . . . . . . . . . 51947 2
62 1 119.988 . . . . . . . . . . . . . 51947 2
62 2 29.421 . . . . . . . . . . . . . 51947 2
62 3 7.963 . . . . . . . . . . . . . 51947 2
63 1 119.961 . . . . . . . . . . . . . 51947 2
63 2 37.992 . . . . . . . . . . . . . 51947 2
63 3 7.964 . . . . . . . . . . . . . 51947 2
64 1 119.958 . . . . . . . . . . . . . 51947 2
64 2 51.360 . . . . . . . . . . . . . 51947 2
64 3 7.964 . . . . . . . . . . . . . 51947 2
65 1 119.962 . . . . . . . . . . . . . 51947 2
65 2 59.900 . . . . . . . . . . . . . 51947 2
65 3 7.965 . . . . . . . . . . . . . 51947 2
66 1 119.811 . . . . . . . . . . . . . 51947 2
66 2 16.155 . . . . . . . . . . . . . 51947 2
66 3 7.910 . . . . . . . . . . . . . 51947 2
67 1 119.791 . . . . . . . . . . . . . 51947 2
67 2 39.275 . . . . . . . . . . . . . 51947 2
67 3 7.909 . . . . . . . . . . . . . 51947 2
68 1 119.780 . . . . . . . . . . . . . 51947 2
68 2 52.381 . . . . . . . . . . . . . 51947 2
68 3 7.908 . . . . . . . . . . . . . 51947 2
69 1 119.822 . . . . . . . . . . . . . 51947 2
69 2 49.801 . . . . . . . . . . . . . 51947 2
69 3 7.910 . . . . . . . . . . . . . 51947 2
70 1 119.337 . . . . . . . . . . . . . 51947 2
70 2 60.310 . . . . . . . . . . . . . 51947 2
70 3 8.009 . . . . . . . . . . . . . 51947 2
71 1 119.307 . . . . . . . . . . . . . 51947 2
71 2 54.309 . . . . . . . . . . . . . 51947 2
71 3 8.009 . . . . . . . . . . . . . 51947 2
72 1 119.342 . . . . . . . . . . . . . 51947 2
72 2 36.158 . . . . . . . . . . . . . 51947 2
72 3 8.004 . . . . . . . . . . . . . 51947 2
73 1 119.325 . . . . . . . . . . . . . 51947 2
73 2 28.816 . . . . . . . . . . . . . 51947 2
73 3 8.007 . . . . . . . . . . . . . 51947 2
74 1 118.697 . . . . . . . . . . . . . 51947 2
74 2 50.162 . . . . . . . . . . . . . 51947 2
74 3 8.135 . . . . . . . . . . . . . 51947 2
75 1 116.785 . . . . . . . . . . . . . 51947 2
75 2 30.178 . . . . . . . . . . . . . 51947 2
75 3 8.210 . . . . . . . . . . . . . 51947 2
76 1 116.739 . . . . . . . . . . . . . 51947 2
76 2 53.465 . . . . . . . . . . . . . 51947 2
76 3 8.210 . . . . . . . . . . . . . 51947 2
77 1 116.804 . . . . . . . . . . . . . 51947 2
77 2 60.701 . . . . . . . . . . . . . 51947 2
77 3 8.196 . . . . . . . . . . . . . 51947 2
78 1 116.807 . . . . . . . . . . . . . 51947 2
78 2 55.139 . . . . . . . . . . . . . 51947 2
78 3 8.195 . . . . . . . . . . . . . 51947 2
79 1 116.121 . . . . . . . . . . . . . 51947 2
79 2 27.160 . . . . . . . . . . . . . 51947 2
79 3 8.150 . . . . . . . . . . . . . 51947 2
80 1 116.127 . . . . . . . . . . . . . 51947 2
80 2 26.865 . . . . . . . . . . . . . 51947 2
80 3 8.118 . . . . . . . . . . . . . 51947 2
81 1 116.246 . . . . . . . . . . . . . 51947 2
81 2 55.807 . . . . . . . . . . . . . 51947 2
81 3 8.123 . . . . . . . . . . . . . 51947 2
82 1 116.121 . . . . . . . . . . . . . 51947 2
82 2 55.350 . . . . . . . . . . . . . 51947 2
82 3 8.153 . . . . . . . . . . . . . 51947 2
83 1 116.134 . . . . . . . . . . . . . 51947 2
83 2 54.170 . . . . . . . . . . . . . 51947 2
83 3 8.118 . . . . . . . . . . . . . 51947 2
84 1 116.123 . . . . . . . . . . . . . 51947 2
84 2 53.560 . . . . . . . . . . . . . 51947 2
84 3 8.155 . . . . . . . . . . . . . 51947 2
85 1 116.246 . . . . . . . . . . . . . 51947 2
85 2 60.710 . . . . . . . . . . . . . 51947 2
85 3 8.124 . . . . . . . . . . . . . 51947 2
86 1 116.145 . . . . . . . . . . . . . 51947 2
86 2 60.705 . . . . . . . . . . . . . 51947 2
86 3 8.153 . . . . . . . . . . . . . 51947 2
87 1 121.410 . . . . . . . . . . . . . 51947 2
87 2 58.536 . . . . . . . . . . . . . 51947 2
87 3 8.432 . . . . . . . . . . . . . 51947 2
88 1 121.435 . . . . . . . . . . . . . 51947 2
88 2 66.664 . . . . . . . . . . . . . 51947 2
88 3 8.432 . . . . . . . . . . . . . 51947 2
89 1 118.697 . . . . . . . . . . . . . 51947 2
89 2 35.787 . . . . . . . . . . . . . 51947 2
89 3 8.132 . . . . . . . . . . . . . 51947 2
90 1 120.601 . . . . . . . . . . . . . 51947 2
90 2 36.180 . . . . . . . . . . . . . 51947 2
90 3 8.261 . . . . . . . . . . . . . 51947 2
91 1 120.601 . . . . . . . . . . . . . 51947 2
91 2 50.120 . . . . . . . . . . . . . 51947 2
91 3 8.261 . . . . . . . . . . . . . 51947 2
92 1 120.734 . . . . . . . . . . . . . 51947 2
92 2 27.092 . . . . . . . . . . . . . 51947 2
92 3 8.219 . . . . . . . . . . . . . 51947 2
93 1 120.341 . . . . . . . . . . . . . 51947 2
93 2 52.016 . . . . . . . . . . . . . 51947 2
93 3 8.071 . . . . . . . . . . . . . 51947 2
94 1 112.384 . . . . . . . . . . . . . 51947 2
94 2 35.637 . . . . . . . . . . . . . 51947 2
94 3 6.826 . . . . . . . . . . . . . 51947 2
95 1 112.402 . . . . . . . . . . . . . 51947 2
95 2 50.259 . . . . . . . . . . . . . 51947 2
95 3 6.826 . . . . . . . . . . . . . 51947 2
96 1 112.406 . . . . . . . . . . . . . 51947 2
96 2 35.755 . . . . . . . . . . . . . 51947 2
96 3 6.853 . . . . . . . . . . . . . 51947 2
97 1 112.330 . . . . . . . . . . . . . 51947 2
97 2 50.155 . . . . . . . . . . . . . 51947 2
97 3 6.855 . . . . . . . . . . . . . 51947 2
98 1 112.159 . . . . . . . . . . . . . 51947 2
98 2 50.137 . . . . . . . . . . . . . 51947 2
98 3 6.753 . . . . . . . . . . . . . 51947 2
99 1 112.028 . . . . . . . . . . . . . 51947 2
99 2 36.172 . . . . . . . . . . . . . 51947 2
99 3 6.761 . . . . . . . . . . . . . 51947 2
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 108.838 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 2
1 2 . . . 42.558 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 2
1 3 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 2
2 1 . . . 113.717 . . . . . . 367 THR N . . . . . . . . . . . . 51947 2
2 2 . . . 42.371 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 2
2 3 . . . 8.187 . . . . . . 367 THR H . . . . . . . . . . . . 51947 2
3 1 . . . 113.807 . . . . . . 367 THR N . . . . . . . . . . . . 51947 2
3 2 . . . 58.711 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 2
3 3 . . . 8.186 . . . . . . 367 THR H . . . . . . . . . . . . 51947 2
4 1 . . . 113.867 . . . . . . 367 THR N . . . . . . . . . . . . 51947 2
4 2 . . . 66.617 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 2
4 3 . . . 8.187 . . . . . . 367 THR H . . . . . . . . . . . . 51947 2
5 1 . . . 113.589 . . . . . . 373 THR N . . . . . . . . . . . . 51947 2
5 2 . . . 58.839 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 2
5 3 . . . 7.871 . . . . . . 373 THR H . . . . . . . . . . . . 51947 2
6 1 . . . 113.579 . . . . . . 373 THR N . . . . . . . . . . . . 51947 2
6 2 . . . 66.683 . . . . . . 373 THR CB . . . . . . . . . . . . 51947 2
6 3 . . . 7.876 . . . . . . 373 THR H . . . . . . . . . . . . 51947 2
7 1 . . . 113.593 . . . . . . 373 THR N . . . . . . . . . . . . 51947 2
7 2 . . . 42.578 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 2
7 3 . . . 7.872 . . . . . . 373 THR H . . . . . . . . . . . . 51947 2
8 1 . . . 114.054 . . . . . . 398 THR N . . . . . . . . . . . . 51947 2
8 2 . . . 66.740 . . . . . . 398 THR CB . . . . . . . . . . . . 51947 2
8 3 . . . 7.739 . . . . . . 398 THR H . . . . . . . . . . . . 51947 2
9 1 . . . 114.057 . . . . . . 398 THR N . . . . . . . . . . . . 51947 2
9 2 . . . 58.621 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 2
9 3 . . . 7.739 . . . . . . 398 THR H . . . . . . . . . . . . 51947 2
10 1 . . . 128.894 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 2
10 2 . . . 40.509 . . . . . . 400 LEU CB . . . . . . . . . . . . 51947 2
10 3 . . . 7.552 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 2
11 1 . . . 128.918 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 2
11 2 . . . 26.496 . . . . . . 399 TRP CB . . . . . . . . . . . . 51947 2
11 3 . . . 7.552 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 2
12 1 . . . 125.454 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 2
12 2 . . . 16.226 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 2
12 3 . . . 8.130 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 2
13 1 . . . 125.431 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 2
13 2 . . . 49.835 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 2
13 3 . . . 8.130 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 2
14 1 . . . 124.572 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 2
14 2 . . . 58.770 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 2
14 3 . . . 8.167 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 2
15 1 . . . 124.587 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 2
15 2 . . . 39.497 . . . . . . 374 LEU CB . . . . . . . . . . . . 51947 2
15 3 . . . 8.166 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 2
16 1 . . . 124.584 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 2
16 2 . . . 52.266 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 2
16 3 . . . 8.164 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 2
17 1 . . . 123.891 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 2
17 2 . . . 51.150 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 2
17 3 . . . 8.288 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 2
18 1 . . . 123.891 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 2
18 2 . . . 38.222 . . . . . . 370 ASP CB . . . . . . . . . . . . 51947 2
18 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 2
19 1 . . . 123.887 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 2
19 2 . . . 59.255 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 2
19 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 2
20 1 . . . 123.626 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 2
20 2 . . . 51.155 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 2
20 3 . . . 8.235 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 2
21 1 . . . 123.529 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 2
21 2 . . . 26.834 . . . . . . 394 GLU CB . . . . . . . . . . . . 51947 2
21 3 . . . 8.195 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 2
22 1 . . . 123.534 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 2
22 2 . . . 51.385 . . . . . . 394 GLU CA . . . . . . . . . . . . 51947 2
22 3 . . . 8.193 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 2
23 1 . . . 123.724 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 2
23 2 . . . 55.798 . . . . . . 380 ILE CA . . . . . . . . . . . . 51947 2
23 3 . . . 7.972 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 2
24 1 . . . 123.794 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 2
24 2 . . . 35.214 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 2
24 3 . . . 7.973 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 2
25 1 . . . 123.902 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 2
25 2 . . . 39.269 . . . . . . 397 LEU CB . . . . . . . . . . . . 51947 2
25 3 . . . 7.904 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 2
26 1 . . . 123.832 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 2
26 2 . . . 51.957 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 2
26 3 . . . 7.905 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 2
27 1 . . . 122.845 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 2
27 2 . . . 26.528 . . . . . . 399 TRP CB . . . . . . . . . . . . 51947 2
27 3 . . . 7.859 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 2
28 1 . . . 122.841 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 2
28 2 . . . 53.859 . . . . . . 399 TRP CA . . . . . . . . . . . . 51947 2
28 3 . . . 7.875 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 2
29 1 . . . 123.013 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 2
29 2 . . . 59.918 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 2
29 3 . . . 8.327 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 2
30 1 . . . 123.021 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 2
30 2 . . . 54.145 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 2
30 3 . . . 8.327 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 2
31 1 . . . 123.024 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 2
31 2 . . . 26.968 . . . . . . 387 GLU CB . . . . . . . . . . . . 51947 2
31 3 . . . 8.327 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 2
32 1 . . . 122.924 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2
32 2 . . . 27.155 . . . . . . 377 GLU CB . . . . . . . . . . . . 51947 2
32 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2
33 1 . . . 122.879 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2
33 2 . . . 55.377 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 2
33 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2
34 1 . . . 122.905 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2
34 2 . . . 53.781 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 2
34 3 . . . 8.427 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2
35 1 . . . 122.980 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 2
35 2 . . . 60.864 . . . . . . 376 SER CB . . . . . . . . . . . . 51947 2
35 3 . . . 8.427 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 2
36 1 . . . 121.928 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 2
36 2 . . . 38.030 . . . . . . 378 ASP CB . . . . . . . . . . . . 51947 2
36 3 . . . 7.951 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 2
37 1 . . . 121.947 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 2
37 2 . . . 39.236 . . . . . . 379 LEU CB . . . . . . . . . . . . 51947 2
37 3 . . . 7.948 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 2
38 1 . . . 121.975 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 2
38 2 . . . 28.934 . . . . . . 381 PRO CB . . . . . . . . . . . . 51947 2
38 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 2
39 1 . . . 122.001 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 2
39 2 . . . 39.503 . . . . . . 382 LEU CB . . . . . . . . . . . . 51947 2
39 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 2
40 1 . . . 121.979 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 2
40 2 . . . 60.054 . . . . . . 381 PRO CA . . . . . . . . . . . . 51947 2
40 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 2
41 1 . . . 121.541 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2
41 2 . . . 53.303 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 2
41 3 . . . 8.087 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2
42 1 . . . 121.537 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2
42 2 . . . 29.938 . . . . . . 392 LYS CB . . . . . . . . . . . . 51947 2
42 3 . . . 8.088 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2
43 1 . . . 121.468 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2
43 2 . . . 35.862 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 2
43 3 . . . 8.087 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2
44 1 . . . 121.501 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 2
44 2 . . . 50.259 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 2
44 3 . . . 8.088 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 2
45 1 . . . 121.759 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 2
45 2 . . . 27.119 . . . . . . 375 GLU CB . . . . . . . . . . . . 51947 2
45 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 2
46 1 . . . 121.752 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 2
46 2 . . . 53.626 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 2
46 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 2
47 1 . . . 121.390 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2
47 2 . . . 50.354 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 2
47 3 . . . 8.431 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2
48 1 . . . 121.403 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2
48 2 . . . 35.851 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 2
48 3 . . . 8.432 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2
49 1 . . . 121.279 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 2
49 2 . . . 38.036 . . . . . . 385 ASP CB . . . . . . . . . . . . 51947 2
49 3 . . . 8.186 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 2
50 1 . . . 121.258 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 2
50 2 . . . 36.173 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 2
50 3 . . . 8.185 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 2
51 1 . . . 121.278 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 2
51 2 . . . 51.374 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 2
51 3 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 2
52 1 . . . 120.729 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2
52 2 . . . 53.954 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 2
52 3 . . . 8.219 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2
53 1 . . . 120.684 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2
53 2 . . . 38.029 . . . . . . 378 ASP CB . . . . . . . . . . . . 51947 2
53 3 . . . 8.226 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2
54 1 . . . 120.608 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2
54 2 . . . 51.391 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 2
54 3 . . . 8.226 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2
55 1 . . . 120.417 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2
55 2 . . . 54.201 . . . . . . 383 PHE CA . . . . . . . . . . . . 51947 2
55 3 . . . 8.065 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2
56 1 . . . 120.338 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2
56 2 . . . 36.497 . . . . . . 383 PHE CB . . . . . . . . . . . . 51947 2
56 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2
57 1 . . . 120.430 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2
57 2 . . . 39.735 . . . . . . 382 LEU CB . . . . . . . . . . . . 51947 2
57 3 . . . 8.075 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2
58 1 . . . 120.225 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2
58 2 . . . 35.804 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 2
58 3 . . . 8.019 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2
59 1 . . . 120.204 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2
59 2 . . . 29.583 . . . . . . 369 VAL CB . . . . . . . . . . . . 51947 2
59 3 . . . 8.018 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2
60 1 . . . 120.210 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2
60 2 . . . 50.270 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 2
60 3 . . . 8.020 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2
61 1 . . . 120.199 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 2
61 2 . . . 59.263 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 2
61 3 . . . 8.020 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 2
62 1 . . . 119.988 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2
62 2 . . . 29.421 . . . . . . 386 VAL CB . . . . . . . . . . . . 51947 2
62 3 . . . 7.963 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2
63 1 . . . 119.961 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2
63 2 . . . 37.992 . . . . . . 385 ASP CB . . . . . . . . . . . . 51947 2
63 3 . . . 7.964 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2
64 1 . . . 119.958 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2
64 2 . . . 51.360 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 2
64 3 . . . 7.964 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2
65 1 . . . 119.962 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 2
65 2 . . . 59.900 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 2
65 3 . . . 7.965 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 2
66 1 . . . 119.811 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2
66 2 . . . 16.155 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 2
66 3 . . . 7.910 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2
67 1 . . . 119.791 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2
67 2 . . . 39.275 . . . . . . 390 LEU CB . . . . . . . . . . . . 51947 2
67 3 . . . 7.909 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2
68 1 . . . 119.780 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2
68 2 . . . 52.381 . . . . . . 390 LEU CA . . . . . . . . . . . . 51947 2
68 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2
69 1 . . . 119.822 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 2
69 2 . . . 49.801 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 2
69 3 . . . 7.910 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 2
70 1 . . . 119.337 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2
70 2 . . . 60.310 . . . . . . 395 PRO CA . . . . . . . . . . . . 51947 2
70 3 . . . 8.009 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2
71 1 . . . 119.307 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2
71 2 . . . 54.309 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 2
71 3 . . . 8.009 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2
72 1 . . . 119.342 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2
72 2 . . . 36.158 . . . . . . 396 PHE CB . . . . . . . . . . . . 51947 2
72 3 . . . 8.004 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2
73 1 . . . 119.325 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 2
73 2 . . . 28.816 . . . . . . 395 PRO CB . . . . . . . . . . . . 51947 2
73 3 . . . 8.007 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 2
74 1 . . . 118.697 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 2
74 2 . . . 50.162 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 2
74 3 . . . 8.135 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 2
75 1 . . . 116.785 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2
75 2 . . . 30.178 . . . . . . 392 LYS CB . . . . . . . . . . . . 51947 2
75 3 . . . 8.210 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2
76 1 . . . 116.739 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2
76 2 . . . 53.465 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 2
76 3 . . . 8.210 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2
77 1 . . . 116.804 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2
77 2 . . . 60.701 . . . . . . 393 SER CB . . . . . . . . . . . . 51947 2
77 3 . . . 8.196 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2
78 1 . . . 116.807 . . . . . . 393 SER N . . . . . . . . . . . . 51947 2
78 2 . . . 55.139 . . . . . . 393 SER CA . . . . . . . . . . . . 51947 2
78 3 . . . 8.195 . . . . . . 393 SER H . . . . . . . . . . . . 51947 2
79 1 . . . 116.121 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2
79 2 . . . 27.160 . . . . . . 375 GLU CB . . . . . . . . . . . . 51947 2
79 3 . . . 8.150 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2
80 1 . . . 116.127 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2
80 2 . . . 26.865 . . . . . . 387 GLU CB . . . . . . . . . . . . 51947 2
80 3 . . . 8.118 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2
81 1 . . . 116.246 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2
81 2 . . . 55.807 . . . . . . 388 SER CA . . . . . . . . . . . . 51947 2
81 3 . . . 8.123 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2
82 1 . . . 116.121 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2
82 2 . . . 55.350 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 2
82 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2
83 1 . . . 116.134 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2
83 2 . . . 54.170 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 2
83 3 . . . 8.118 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2
84 1 . . . 116.123 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2
84 2 . . . 53.560 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 2
84 3 . . . 8.155 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2
85 1 . . . 116.246 . . . . . . 388 SER N . . . . . . . . . . . . 51947 2
85 2 . . . 60.710 . . . . . . 388 SER CB . . . . . . . . . . . . 51947 2
85 3 . . . 8.124 . . . . . . 388 SER H . . . . . . . . . . . . 51947 2
86 1 . . . 116.145 . . . . . . 376 SER N . . . . . . . . . . . . 51947 2
86 2 . . . 60.705 . . . . . . 376 SER CB . . . . . . . . . . . . 51947 2
86 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 2
87 1 . . . 121.410 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2
87 2 . . . 58.536 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 2
87 3 . . . 8.432 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2
88 1 . . . 121.435 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 2
88 2 . . . 66.664 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 2
88 3 . . . 8.432 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 2
89 1 . . . 118.697 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 2
89 2 . . . 35.787 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 2
89 3 . . . 8.132 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 2
90 1 . . . 120.601 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 2
90 2 . . . 36.180 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 2
90 3 . . . 8.261 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 2
91 1 . . . 120.601 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 2
91 2 . . . 50.120 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 2
91 3 . . . 8.261 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 2
92 1 . . . 120.734 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 2
92 2 . . . 27.092 . . . . . . 377 GLU CB . . . . . . . . . . . . 51947 2
92 3 . . . 8.219 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 2
93 1 . . . 120.341 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 2
93 2 . . . 52.016 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 2
93 3 . . . 8.071 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 2
94 1 . . . 112.384 . . . . . . 368 ASN ND2 . . . . . . . . . . . . 51947 2
94 2 . . . 35.637 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 2
94 3 . . . 6.826 . . . . . . 368 ASN HD22 . . . . . . . . . . . . 51947 2
95 1 . . . 112.402 . . . . . . 368 ASN ND2 . . . . . . . . . . . . 51947 2
95 2 . . . 50.259 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 2
95 3 . . . 6.826 . . . . . . 368 ASN HD22 . . . . . . . . . . . . 51947 2
96 1 . . . 112.406 . . . . . . 391 ASN ND2 . . . . . . . . . . . . 51947 2
96 2 . . . 35.755 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 2
96 3 . . . 6.853 . . . . . . 391 ASN HD22 . . . . . . . . . . . . 51947 2
97 1 . . . 112.330 . . . . . . 391 ASN ND2 . . . . . . . . . . . . 51947 2
97 2 . . . 50.155 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 2
97 3 . . . 6.855 . . . . . . 391 ASN HD22 . . . . . . . . . . . . 51947 2
98 1 . . . 112.159 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 2
98 2 . . . 50.137 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 2
98 3 . . . 6.753 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 2
99 1 . . . 112.028 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 2
99 2 . . . 36.172 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 2
99 3 . . . 6.761 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 2
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . 7687564165120.000000 . . . 108.838 . 42.558 . 8.400 . . . . . 372 . GLY N . . . . 372 . GLY CA . . . . 372 . GLY H . . . . . . . . . . 51947 2
. 10 . . . 72888852480.000000 . . . 128.894 . 40.509 . 7.552 . . . . . 400 . LEU N . . . . 400 . LEU CB . . . . 400 . LEU H . . . . . . . . . . 51947 2
. 11 . . . 116553506816.000000 . . . 128.918 . 26.496 . 7.552 . . . . . 400 . LEU N . . . . 399 . TRP CB . . . . 400 . LEU H . . . . . . . . . . 51947 2
. 12 . . . 0.0 . . . 125.454 . 16.226 . 8.130 . . . . . 389 . ALA N . . . . 389 . ALA CB . . . . 389 . ALA H . . . . . . . . . . 51947 2
. 13 . . . 0.0 . . . 125.431 . 49.835 . 8.130 . . . . . 389 . ALA N . . . . 389 . ALA CA . . . . 389 . ALA H . . . . . . . . . . 51947 2
. 14 . . . -149395193856.000000 . . . 124.572 . 58.770 . 8.167 . . . . . 374 . LEU N . . . . 373 . THR CA . . . . 374 . LEU H . . . . . . . . . . 51947 2
. 15 . . . 112502571008.000000 . . . 124.587 . 39.497 . 8.166 . . . . . 374 . LEU N . . . . 374 . LEU CB . . . . 374 . LEU H . . . . . . . . . . 51947 2
. 16 . . . -88498061312.000000 . . . 124.584 . 52.266 . 8.164 . . . . . 374 . LEU N . . . . 374 . LEU CA . . . . 374 . LEU H . . . . . . . . . . 51947 2
. 17 . . . -506717274112.000000 . . . 123.891 . 51.150 . 8.288 . . . . . 370 . ASP N . . . . 370 . ASP CA . . . . 370 . ASP H . . . . . . . . . . 51947 2
. 18 . . . 479210635264.000000 . . . 123.891 . 38.222 . 8.289 . . . . . 370 . ASP N . . . . 370 . ASP CB . . . . 370 . ASP H . . . . . . . . . . 51947 2
. 19 . . . -140732268544.000000 . . . 123.887 . 59.255 . 8.289 . . . . . 370 . ASP N . . . . 369 . VAL CA . . . . 370 . ASP H . . . . . . . . . . 51947 2
. 2 . . . 2296785141760.000000 . . . 113.717 . 42.371 . 8.187 . . . . . 367 . THR N . . . . 366 . GLY CA . . . . 367 . THR H . . . . . . . . . . 51947 2
. 20 . . . -235151736832.000000 . . . 123.626 . 51.155 . 8.235 . . . . . 371 . LEU N . . . . 370 . ASP CA . . . . 371 . LEU H . . . . . . . . . . 51947 2
. 21 . . . 1114410582016.000000 . . . 123.529 . 26.834 . 8.195 . . . . . 394 . GLU N . . . . 394 . GLU CB . . . . 394 . GLU H . . . . . . . . . . 51947 2
. 22 . . . -1896419950592.000000 . . . 123.534 . 51.385 . 8.193 . . . . . 394 . GLU N . . . . 394 . GLU CA . . . . 394 . GLU H . . . . . . . . . . 51947 2
. 23 . . . -229121867776.000000 . . . 123.724 . 55.798 . 7.972 . . . . . 380 . ILE N . . . . 380 . ILE CA . . . . 380 . ILE H . . . . . . . . . . 51947 2
. 24 . . . 67157028864.000000 . . . 123.794 . 35.214 . 7.973 . . . . . 380 . ILE N . . . . 380 . ILE CB . . . . 380 . ILE H . . . . . . . . . . 51947 2
. 25 . . . 68660252672.000000 . . . 123.902 . 39.269 . 7.904 . . . . . 397 . LEU N . . . . 397 . LEU CB . . . . 397 . LEU H . . . . . . . . . . 51947 2
. 26 . . . -49615609856.000000 . . . 123.832 . 51.957 . 7.905 . . . . . 397 . LEU N . . . . 397 . LEU CA . . . . 397 . LEU H . . . . . . . . . . 51947 2
. 27 . . . 1844038729728.000000 . . . 122.845 . 26.528 . 7.859 . . . . . 399 . TRP N . . . . 399 . TRP CB . . . . 399 . TRP H . . . . . . . . . . 51947 2
. 28 . . . -968610283520.000000 . . . 122.841 . 53.859 . 7.875 . . . . . 399 . TRP N . . . . 399 . TRP CA . . . . 399 . TRP H . . . . . . . . . . 51947 2
. 29 . . . -111901982720.000000 . . . 123.013 . 59.918 . 8.327 . . . . . 387 . GLU N . . . . 386 . VAL CA . . . . 387 . GLU H . . . . . . . . . . 51947 2
. 3 . . . -2406346653696.000000 . . . 113.807 . 58.711 . 8.186 . . . . . 367 . THR N . . . . 367 . THR CA . . . . 367 . THR H . . . . . . . . . . 51947 2
. 30 . . . -434520621056.000000 . . . 123.021 . 54.145 . 8.327 . . . . . 387 . GLU N . . . . 387 . GLU CA . . . . 387 . GLU H . . . . . . . . . . 51947 2
. 31 . . . 314145341440.000000 . . . 123.024 . 26.968 . 8.327 . . . . . 387 . GLU N . . . . 387 . GLU CB . . . . 387 . GLU H . . . . . . . . . . 51947 2
. 32 . . . 340834484224.000000 . . . 122.924 . 27.155 . 8.428 . . . . . 377 . GLU N . . . . 377 . GLU CB . . . . 377 . GLU H . . . . . . . . . . 51947 2
. 33 . . . -175950512128.000000 . . . 122.879 . 55.377 . 8.428 . . . . . 377 . GLU N . . . . 376 . SER CA . . . . 377 . GLU H . . . . . . . . . . 51947 2
. 34 . . . -474840498176.000000 . . . 122.905 . 53.781 . 8.427 . . . . . 377 . GLU N . . . . 377 . GLU CA . . . . 377 . GLU H . . . . . . . . . . 51947 2
. 35 . . . 143117025280.000000 . . . 122.980 . 60.864 . 8.427 . . . . . 377 . GLU N . . . . 376 . SER CB . . . . 377 . GLU H . . . . . . . . . . 51947 2
. 36 . . . 149006974976.000000 . . . 121.928 . 38.030 . 7.951 . . . . . 379 . LEU N . . . . 378 . ASP CB . . . . 379 . LEU H . . . . . . . . . . 51947 2
. 37 . . . 93221502976.000000 . . . 121.947 . 39.236 . 7.948 . . . . . 379 . LEU N . . . . 379 . LEU CB . . . . 379 . LEU H . . . . . . . . . . 51947 2
. 38 . . . 112149315584.000000 . . . 121.975 . 28.934 . 8.078 . . . . . 382 . LEU N . . . . 381 . PRO CB . . . . 382 . LEU H . . . . . . . . . . 51947 2
. 39 . . . 77487669248.000000 . . . 122.001 . 39.503 . 8.078 . . . . . 382 . LEU N . . . . 382 . LEU CB . . . . 382 . LEU H . . . . . . . . . . 51947 2
. 4 . . . 1095838531584.000000 . . . 113.867 . 66.617 . 8.187 . . . . . 367 . THR N . . . . 367 . THR CB . . . . 367 . THR H . . . . . . . . . . 51947 2
. 40 . . . -126998978560.000000 . . . 121.979 . 60.054 . 8.078 . . . . . 382 . LEU N . . . . 381 . PRO CA . . . . 382 . LEU H . . . . . . . . . . 51947 2
. 41 . . . -192011075584.000000 . . . 121.541 . 53.303 . 8.087 . . . . . 392 . LYS N . . . . 392 . LYS CA . . . . 392 . LYS H . . . . . . . . . . 51947 2
. 42 . . . 113718968320.000000 . . . 121.537 . 29.938 . 8.088 . . . . . 392 . LYS N . . . . 392 . LYS CB . . . . 392 . LYS H . . . . . . . . . . 51947 2
. 43 . . . 72341225472.000000 . . . 121.468 . 35.862 . 8.087 . . . . . 392 . LYS N . . . . 391 . ASN CB . . . . 392 . LYS H . . . . . . . . . . 51947 2
. 44 . . . -60537298944.000000 . . . 121.501 . 50.259 . 8.088 . . . . . 392 . LYS N . . . . 391 . ASN CA . . . . 392 . LYS H . . . . . . . . . . 51947 2
. 45 . . . 449353449472.000000 . . . 121.759 . 27.119 . 8.365 . . . . . 375 . GLU N . . . . 375 . GLU CB . . . . 375 . GLU H . . . . . . . . . . 51947 2
. 46 . . . -610077704192.000000 . . . 121.752 . 53.626 . 8.365 . . . . . 375 . GLU N . . . . 375 . GLU CA . . . . 375 . GLU H . . . . . . . . . . 51947 2
. 47 . . . -363472846848.000000 . . . 121.390 . 50.354 . 8.431 . . . . . 368 . ASN N . . . . 368 . ASN CA . . . . 368 . ASN H . . . . . . . . . . 51947 2
. 48 . . . 334870708224.000000 . . . 121.403 . 35.851 . 8.432 . . . . . 368 . ASN N . . . . 368 . ASN CB . . . . 368 . ASN H . . . . . . . . . . 51947 2
. 49 . . . 2379289722880.000000 . . . 121.279 . 38.036 . 8.186 . . . . . 385 . ASP N . . . . 385 . ASP CB . . . . 385 . ASP H . . . . . . . . . . 51947 2
. 5 . . . -3128287035392.000000 . . . 113.589 . 58.839 . 7.871 . . . . . 373 . THR N . . . . 373 . THR CA . . . . 373 . THR H . . . . . . . . . . 51947 2
. 50 . . . 121946849280.000000 . . . 121.258 . 36.173 . 8.185 . . . . . 385 . ASP N . . . . 384 . ASN CB . . . . 385 . ASP H . . . . . . . . . . 51947 2
. 51 . . . -2441433317376.000000 . . . 121.278 . 51.374 . 8.184 . . . . . 385 . ASP N . . . . 385 . ASP CA . . . . 385 . ASP H . . . . . . . . . . 51947 2
. 52 . . . -158519721984.000000 . . . 120.729 . 53.954 . 8.219 . . . . . 378 . ASP N . . . . 377 . GLU CA . . . . 378 . ASP H . . . . . . . . . . 51947 2
. 53 . . . 1972145094656.000000 . . . 120.684 . 38.029 . 8.226 . . . . . 378 . ASP N . . . . 378 . ASP CB . . . . 378 . ASP H . . . . . . . . . . 51947 2
. 54 . . . -1952189120512.000000 . . . 120.608 . 51.391 . 8.226 . . . . . 378 . ASP N . . . . 378 . ASP CA . . . . 378 . ASP H . . . . . . . . . . 51947 2
. 55 . . . -649161998336.000000 . . . 120.417 . 54.201 . 8.065 . . . . . 383 . PHE N . . . . 383 . PHE CA . . . . 383 . PHE H . . . . . . . . . . 51947 2
. 56 . . . 933180604416.000000 . . . 120.338 . 36.497 . 8.073 . . . . . 383 . PHE N . . . . 383 . PHE CB . . . . 383 . PHE H . . . . . . . . . . 51947 2
. 57 . . . 46643376128.000000 . . . 120.430 . 39.735 . 8.075 . . . . . 383 . PHE N . . . . 382 . LEU CB . . . . 383 . PHE H . . . . . . . . . . 51947 2
. 58 . . . 140276203520.000000 . . . 120.225 . 35.804 . 8.019 . . . . . 369 . VAL N . . . . 368 . ASN CB . . . . 369 . VAL H . . . . . . . . . . 51947 2
. 59 . . . 114959843328.000000 . . . 120.204 . 29.583 . 8.018 . . . . . 369 . VAL N . . . . 369 . VAL CB . . . . 369 . VAL H . . . . . . . . . . 51947 2
. 6 . . . 1413591072768.000000 . . . 113.579 . 66.683 . 7.876 . . . . . 373 . THR N . . . . 373 . THR CB . . . . 373 . THR H . . . . . . . . . . 51947 2
. 60 . . . -169374138368.000000 . . . 120.210 . 50.270 . 8.020 . . . . . 369 . VAL N . . . . 368 . ASN CA . . . . 369 . VAL H . . . . . . . . . . 51947 2
. 61 . . . -332676988928.000000 . . . 120.199 . 59.263 . 8.020 . . . . . 369 . VAL N . . . . 369 . VAL CA . . . . 369 . VAL H . . . . . . . . . . 51947 2
. 62 . . . 97301585920.000000 . . . 119.988 . 29.421 . 7.963 . . . . . 386 . VAL N . . . . 386 . VAL CB . . . . 386 . VAL H . . . . . . . . . . 51947 2
. 63 . . . 152754831360.000000 . . . 119.961 . 37.992 . 7.964 . . . . . 386 . VAL N . . . . 385 . ASP CB . . . . 386 . VAL H . . . . . . . . . . 51947 2
. 64 . . . -131256696832.000000 . . . 119.958 . 51.360 . 7.964 . . . . . 386 . VAL N . . . . 385 . ASP CA . . . . 386 . VAL H . . . . . . . . . . 51947 2
. 65 . . . -271097495552.000000 . . . 119.962 . 59.900 . 7.965 . . . . . 386 . VAL N . . . . 386 . VAL CA . . . . 386 . VAL H . . . . . . . . . . 51947 2
. 66 . . . 141034045440.000000 . . . 119.811 . 16.155 . 7.910 . . . . . 390 . LEU N . . . . 389 . ALA CB . . . . 390 . LEU H . . . . . . . . . . 51947 2
. 67 . . . 101503836160.000000 . . . 119.791 . 39.275 . 7.909 . . . . . 390 . LEU N . . . . 390 . LEU CB . . . . 390 . LEU H . . . . . . . . . . 51947 2
. 68 . . . -63781277696.000000 . . . 119.780 . 52.381 . 7.908 . . . . . 390 . LEU N . . . . 390 . LEU CA . . . . 390 . LEU H . . . . . . . . . . 51947 2
. 69 . . . -158685495296.000000 . . . 119.822 . 49.801 . 7.910 . . . . . 390 . LEU N . . . . 389 . ALA CA . . . . 390 . LEU H . . . . . . . . . . 51947 2
. 7 . . . 2428720906240.000000 . . . 113.593 . 42.578 . 7.872 . . . . . 373 . THR N . . . . 372 . GLY CA . . . . 373 . THR H . . . . . . . . . . 51947 2
. 70 . . . -97566089216.000000 . . . 119.337 . 60.310 . 8.009 . . . . . 396 . PHE N . . . . 395 . PRO CA . . . . 396 . PHE H . . . . . . . . . . 51947 2
. 71 . . . -87999307776.000000 . . . 119.307 . 54.309 . 8.009 . . . . . 396 . PHE N . . . . 396 . PHE CA . . . . 396 . PHE H . . . . . . . . . . 51947 2
. 72 . . . 80269148160.000000 . . . 119.342 . 36.158 . 8.004 . . . . . 396 . PHE N . . . . 396 . PHE CB . . . . 396 . PHE H . . . . . . . . . . 51947 2
. 73 . . . 77856628736.000000 . . . 119.325 . 28.816 . 8.007 . . . . . 396 . PHE N . . . . 395 . PRO CB . . . . 396 . PHE H . . . . . . . . . . 51947 2
. 74 . . . -2026430791680.000000 . . . 118.697 . 50.162 . 8.135 . . . . . 391 . ASN N . . . . 391 . ASN CA . . . . 391 . ASN H . . . . . . . . . . 51947 2
. 75 . . . 111166881792.000000 . . . 116.785 . 30.178 . 8.210 . . . . . 393 . SER N . . . . 392 . LYS CB . . . . 393 . SER H . . . . . . . . . . 51947 2
. 76 . . . -101642436608.000000 . . . 116.739 . 53.465 . 8.210 . . . . . 393 . SER N . . . . 392 . LYS CA . . . . 393 . SER H . . . . . . . . . . 51947 2
. 77 . . . 794539327488.000000 . . . 116.804 . 60.701 . 8.196 . . . . . 393 . SER N . . . . 393 . SER CB . . . . 393 . SER H . . . . . . . . . . 51947 2
. 78 . . . -1037317570560.000000 . . . 116.807 . 55.139 . 8.195 . . . . . 393 . SER N . . . . 393 . SER CA . . . . 393 . SER H . . . . . . . . . . 51947 2
. 79 . . . 994261598208.000000 . . . 116.121 . 27.160 . 8.150 . . . . . 376 . SER N . . . . 375 . GLU CB . . . . 376 . SER H . . . . . . . . . . 51947 2
. 8 . . . 798331961344.000000 . . . 114.054 . 66.740 . 7.739 . . . . . 398 . THR N . . . . 398 . THR CB . . . . 398 . THR H . . . . . . . . . . 51947 2
. 80 . . . 582427803648.000000 . . . 116.127 . 26.865 . 8.118 . . . . . 388 . SER N . . . . 387 . GLU CB . . . . 388 . SER H . . . . . . . . . . 51947 2
. 81 . . . -2340752457728.000000 . . . 116.246 . 55.807 . 8.123 . . . . . 388 . SER N . . . . 388 . SER CA . . . . 388 . SER H . . . . . . . . . . 51947 2
. 82 . . . -3076749000704.000000 . . . 116.121 . 55.350 . 8.153 . . . . . 376 . SER N . . . . 376 . SER CA . . . . 376 . SER H . . . . . . . . . . 51947 2
. 83 . . . -928425443328.000000 . . . 116.134 . 54.170 . 8.118 . . . . . 388 . SER N . . . . 387 . GLU CA . . . . 388 . SER H . . . . . . . . . . 51947 2
. 84 . . . -1265375379456.000000 . . . 116.123 . 53.560 . 8.155 . . . . . 376 . SER N . . . . 375 . GLU CA . . . . 376 . SER H . . . . . . . . . . 51947 2
. 85 . . . 2227707576320.000000 . . . 116.246 . 60.710 . 8.124 . . . . . 388 . SER N . . . . 388 . SER CB . . . . 388 . SER H . . . . . . . . . . 51947 2
. 86 . . . 2712904400896.000000 . . . 116.145 . 60.705 . 8.153 . . . . . 376 . SER N . . . . 376 . SER CB . . . . 376 . SER H . . . . . . . . . . 51947 2
. 87 . . . -120934473728.000000 . . . 121.410 . 58.536 . 8.432 . . . . . 368 . ASN N . . . . 367 . THR CA . . . . 368 . ASN H . . . . . . . . . . 51947 2
. 88 . . . 93247430656.000000 . . . 121.435 . 66.664 . 8.432 . . . . . 368 . ASN N . . . . 367 . THR CB . . . . 368 . ASN H . . . . . . . . . . 51947 2
. 89 . . . 0.0 . . . 118.697 . 35.787 . 8.132 . . . . . 391 . ASN N . . . . 391 . ASN CB . . . . 391 . ASN H . . . . . . . . . . 51947 2
. 9 . . . -1678628880384.000000 . . . 114.057 . 58.621 . 7.739 . . . . . 398 . THR N . . . . 398 . THR CA . . . . 398 . THR H . . . . . . . . . . 51947 2
. 90 . . . 2351563538432.000000 . . . 120.601 . 36.180 . 8.261 . . . . . 384 . ASN N . . . . 384 . ASN CB . . . . 384 . ASN H . . . . . . . . . . 51947 2
. 91 . . . -2321569021952.000000 . . . 120.601 . 50.120 . 8.261 . . . . . 384 . ASN N . . . . 384 . ASN CA . . . . 384 . ASN H . . . . . . . . . . 51947 2
. 92 . . . 111092498432.000000 . . . 120.734 . 27.092 . 8.219 . . . . . 378 . ASP N . . . . 377 . GLU CB . . . . 378 . ASP H . . . . . . . . . . 51947 2
. 93 . . . 0.0 . . . 120.341 . 52.016 . 8.071 . . . . . 383 . PHE N . . . . 382 . LEU CA . . . . 383 . PHE H . . . . . . . . . . 51947 2
. 94 . . . -188249079808.000000 . . . 112.384 . 35.637 . 6.826 . . . . . 368 . ASN ND2 . . . . 368 . ASN CB . . . . 368 . ASN HD22 . . . . . . . . . . 51947 2
. 95 . . . 100601290752.000000 . . . 112.402 . 50.259 . 6.826 . . . . . 368 . ASN ND2 . . . . 368 . ASN CA . . . . 368 . ASN HD22 . . . . . . . . . . 51947 2
. 96 . . . -238961524736.000000 . . . 112.406 . 35.755 . 6.853 . . . . . 391 . ASN ND2 . . . . 391 . ASN CB . . . . 391 . ASN HD22 . . . . . . . . . . 51947 2
. 97 . . . 117077557248.000000 . . . 112.330 . 50.155 . 6.855 . . . . . 391 . ASN ND2 . . . . 391 . ASN CA . . . . 391 . ASN HD22 . . . . . . . . . . 51947 2
. 98 . . . 89626886144.000000 . . . 112.159 . 50.137 . 6.753 . . . . . 384 . ASN ND2 . . . . 384 . ASN CA . . . . 384 . ASN HD22 . . . . . . . . . . 51947 2
. 99 . . . -256078725120.000000 . . . 112.028 . 36.172 . 6.761 . . . . . 384 . ASN ND2 . . . . 384 . ASN CB . . . . 384 . ASN HD22 . . . . . . . . . . 51947 2
stop_
save_
save_spectral_peak_list_3
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_3
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 3
_Spectral_peak_list.Name 'peak list 3 cbcaconh scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 3
_Spectral_peak_list.Experiment_name '3D CBCA(CO)NH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . N 15 N* . 'not observed' 2682 Hz . . . . . . 51947 3
2 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 3
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 3
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 3
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 -1680221798400.000000 . height 51947 3
2 -2266465828864.000000 . height 51947 3
3 -8305445437440.000000 . height 51947 3
4 -9418534027264.000000 . height 51947 3
5 -724318617600.000000 . height 51947 3
6 -1006968307712.000000 . height 51947 3
7 -456694530048.000000 . height 51947 3
8 -386896756736.000000 . height 51947 3
9 -540998336512.000000 . height 51947 3
10 -277117894656.000000 . height 51947 3
11 -442279395328.000000 . height 51947 3
12 -553403023360.000000 . height 51947 3
13 -567341350912.000000 . height 51947 3
14 -240629940224.000000 . height 51947 3
15 -1117784375296.000000 . height 51947 3
16 -651308171264.000000 . height 51947 3
17 -319816794112.000000 . height 51947 3
18 -616523431936.000000 . height 51947 3
19 -245343076352.000000 . height 51947 3
20 -186647724032.000000 . height 51947 3
21 -156993552384.000000 . height 51947 3
22 -147255885824.000000 . height 51947 3
23 -285860397056.000000 . height 51947 3
24 -282536968192.000000 . height 51947 3
25 -447809880064.000000 . height 51947 3
26 -197790203904.000000 . height 51947 3
27 -993924415488.000000 . height 51947 3
28 -505885818880.000000 . height 51947 3
29 -1055776899072.000000 . height 51947 3
30 -592784850944.000000 . height 51947 3
31 -477144252416.000000 . height 51947 3
32 -344540413952.000000 . height 51947 3
33 -455157121024.000000 . height 51947 3
34 -236649037824.000000 . height 51947 3
35 -351174295552.000000 . height 51947 3
36 -263242301440.000000 . height 51947 3
37 -400189030400.000000 . height 51947 3
38 -478846484480.000000 . height 51947 3
39 -924519301120.000000 . height 51947 3
40 -555070717952.000000 . height 51947 3
41 -183680385024.000000 . height 51947 3
42 -241220993024.000000 . height 51947 3
43 -557787316224.000000 . height 51947 3
44 -749780992000.000000 . height 51947 3
45 -262033391616.000000 . height 51947 3
46 -240067837952.000000 . height 51947 3
47 -1020832120832.000000 . height 51947 3
48 -550642122752.000000 . height 51947 3
49 -1095640678400.000000 . height 51947 3
50 -642514616320.000000 . height 51947 3
51 -622298529792.000000 . height 51947 3
52 -590063992832.000000 . height 51947 3
53 -261209489408.000000 . height 51947 3
54 -343653744640.000000 . height 51947 3
55 -196986765312.000000 . height 51947 3
56 -219495235584.000000 . height 51947 3
57 -203209408512.000000 . height 51947 3
58 -303558557696.000000 . height 51947 3
59 -3895359700992.000000 . height 51947 3
60 -5005130072064.000000 . height 51947 3
61 -4047745843200.000000 . height 51947 3
62 -2245385519104.000000 . height 51947 3
63 -575537807360.000000 . height 51947 3
64 -520941404160.000000 . height 51947 3
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 108.840 . . . . . . . . . . . . . 51947 3
1 2 39.161 . . . . . . . . . . . . . 51947 3
1 3 8.395 . . . . . . . . . . . . . 51947 3
2 1 108.834 . . . . . . . . . . . . . 51947 3
2 2 52.512 . . . . . . . . . . . . . 51947 3
2 3 8.395 . . . . . . . . . . . . . 51947 3
3 1 113.796 . . . . . . . . . . . . . 51947 3
3 2 42.365 . . . . . . . . . . . . . 51947 3
3 3 8.184 . . . . . . . . . . . . . 51947 3
4 1 113.616 . . . . . . . . . . . . . 51947 3
4 2 42.585 . . . . . . . . . . . . . 51947 3
4 3 7.869 . . . . . . . . . . . . . 51947 3
5 1 114.054 . . . . . . . . . . . . . 51947 3
5 2 39.275 . . . . . . . . . . . . . 51947 3
5 3 7.736 . . . . . . . . . . . . . 51947 3
6 1 114.052 . . . . . . . . . . . . . 51947 3
6 2 51.970 . . . . . . . . . . . . . 51947 3
6 3 7.737 . . . . . . . . . . . . . 51947 3
7 1 128.954 . . . . . . . . . . . . . 51947 3
7 2 26.546 . . . . . . . . . . . . . 51947 3
7 3 7.550 . . . . . . . . . . . . . 51947 3
8 1 128.954 . . . . . . . . . . . . . 51947 3
8 2 53.827 . . . . . . . . . . . . . 51947 3
8 3 7.550 . . . . . . . . . . . . . 51947 3
9 1 125.511 . . . . . . . . . . . . . 51947 3
9 2 60.654 . . . . . . . . . . . . . 51947 3
9 3 8.124 . . . . . . . . . . . . . 51947 3
10 1 125.492 . . . . . . . . . . . . . 51947 3
10 2 55.763 . . . . . . . . . . . . . 51947 3
10 3 8.124 . . . . . . . . . . . . . 51947 3
11 1 124.607 . . . . . . . . . . . . . 51947 3
11 2 58.899 . . . . . . . . . . . . . 51947 3
11 3 8.163 . . . . . . . . . . . . . 51947 3
12 1 124.582 . . . . . . . . . . . . . 51947 3
12 2 66.770 . . . . . . . . . . . . . 51947 3
12 3 8.164 . . . . . . . . . . . . . 51947 3
13 1 123.900 . . . . . . . . . . . . . 51947 3
13 2 59.300 . . . . . . . . . . . . . 51947 3
13 3 8.286 . . . . . . . . . . . . . 51947 3
14 1 123.921 . . . . . . . . . . . . . 51947 3
14 2 29.773 . . . . . . . . . . . . . 51947 3
14 3 8.286 . . . . . . . . . . . . . 51947 3
15 1 123.632 . . . . . . . . . . . . . 51947 3
15 2 38.162 . . . . . . . . . . . . . 51947 3
15 3 8.233 . . . . . . . . . . . . . 51947 3
16 1 123.634 . . . . . . . . . . . . . 51947 3
16 2 51.254 . . . . . . . . . . . . . 51947 3
16 3 8.233 . . . . . . . . . . . . . 51947 3
17 1 123.559 . . . . . . . . . . . . . 51947 3
17 2 55.418 . . . . . . . . . . . . . 51947 3
17 3 8.194 . . . . . . . . . . . . . 51947 3
18 1 123.590 . . . . . . . . . . . . . 51947 3
18 2 60.842 . . . . . . . . . . . . . 51947 3
18 3 8.195 . . . . . . . . . . . . . 51947 3
19 1 123.785 . . . . . . . . . . . . . 51947 3
19 2 51.898 . . . . . . . . . . . . . 51947 3
19 3 7.971 . . . . . . . . . . . . . 51947 3
20 1 123.746 . . . . . . . . . . . . . 51947 3
20 2 38.942 . . . . . . . . . . . . . 51947 3
20 3 7.969 . . . . . . . . . . . . . 51947 3
21 1 123.865 . . . . . . . . . . . . . 51947 3
21 2 54.169 . . . . . . . . . . . . . 51947 3
21 3 7.901 . . . . . . . . . . . . . 51947 3
22 1 123.881 . . . . . . . . . . . . . 51947 3
22 2 36.133 . . . . . . . . . . . . . 51947 3
22 3 7.900 . . . . . . . . . . . . . 51947 3
23 1 122.918 . . . . . . . . . . . . . 51947 3
23 2 66.757 . . . . . . . . . . . . . 51947 3
23 3 7.856 . . . . . . . . . . . . . 51947 3
24 1 122.920 . . . . . . . . . . . . . 51947 3
24 2 58.751 . . . . . . . . . . . . . 51947 3
24 3 7.856 . . . . . . . . . . . . . 51947 3
25 1 123.046 . . . . . . . . . . . . . 51947 3
25 2 59.861 . . . . . . . . . . . . . 51947 3
25 3 8.324 . . . . . . . . . . . . . 51947 3
26 1 123.043 . . . . . . . . . . . . . 51947 3
26 2 29.463 . . . . . . . . . . . . . 51947 3
26 3 8.324 . . . . . . . . . . . . . 51947 3
27 1 122.945 . . . . . . . . . . . . . 51947 3
27 2 60.925 . . . . . . . . . . . . . 51947 3
27 3 8.424 . . . . . . . . . . . . . 51947 3
28 1 122.939 . . . . . . . . . . . . . 51947 3
28 2 55.479 . . . . . . . . . . . . . 51947 3
28 3 8.425 . . . . . . . . . . . . . 51947 3
29 1 121.980 . . . . . . . . . . . . . 51947 3
29 2 37.997 . . . . . . . . . . . . . 51947 3
29 3 7.949 . . . . . . . . . . . . . 51947 3
30 1 121.996 . . . . . . . . . . . . . 51947 3
30 2 51.422 . . . . . . . . . . . . . 51947 3
30 3 7.948 . . . . . . . . . . . . . 51947 3
31 1 121.985 . . . . . . . . . . . . . 51947 3
31 2 59.892 . . . . . . . . . . . . . 51947 3
31 3 8.076 . . . . . . . . . . . . . 51947 3
32 1 121.984 . . . . . . . . . . . . . 51947 3
32 2 29.140 . . . . . . . . . . . . . 51947 3
32 3 8.076 . . . . . . . . . . . . . 51947 3
33 1 121.592 . . . . . . . . . . . . . 51947 3
33 2 35.665 . . . . . . . . . . . . . 51947 3
33 3 8.085 . . . . . . . . . . . . . 51947 3
34 1 121.576 . . . . . . . . . . . . . 51947 3
34 2 50.217 . . . . . . . . . . . . . 51947 3
34 3 8.085 . . . . . . . . . . . . . 51947 3
35 1 121.752 . . . . . . . . . . . . . 51947 3
35 2 52.242 . . . . . . . . . . . . . 51947 3
35 3 8.363 . . . . . . . . . . . . . 51947 3
36 1 121.756 . . . . . . . . . . . . . 51947 3
36 2 39.260 . . . . . . . . . . . . . 51947 3
36 3 8.363 . . . . . . . . . . . . . 51947 3
37 1 121.465 . . . . . . . . . . . . . 51947 3
37 2 58.741 . . . . . . . . . . . . . 51947 3
37 3 8.430 . . . . . . . . . . . . . 51947 3
38 1 121.402 . . . . . . . . . . . . . 51947 3
38 2 66.721 . . . . . . . . . . . . . 51947 3
38 3 8.430 . . . . . . . . . . . . . 51947 3
39 1 121.279 . . . . . . . . . . . . . 51947 3
39 2 36.206 . . . . . . . . . . . . . 51947 3
39 3 8.183 . . . . . . . . . . . . . 51947 3
40 1 121.253 . . . . . . . . . . . . . 51947 3
40 2 49.999 . . . . . . . . . . . . . 51947 3
40 3 8.184 . . . . . . . . . . . . . 51947 3
41 1 120.663 . . . . . . . . . . . . . 51947 3
41 2 54.305 . . . . . . . . . . . . . 51947 3
41 3 8.253 . . . . . . . . . . . . . 51947 3
42 1 120.632 . . . . . . . . . . . . . 51947 3
42 2 36.758 . . . . . . . . . . . . . 51947 3
42 3 8.253 . . . . . . . . . . . . . 51947 3
43 1 120.729 . . . . . . . . . . . . . 51947 3
43 2 27.407 . . . . . . . . . . . . . 51947 3
43 3 8.214 . . . . . . . . . . . . . 51947 3
44 1 120.733 . . . . . . . . . . . . . 51947 3
44 2 53.805 . . . . . . . . . . . . . 51947 3
44 3 8.214 . . . . . . . . . . . . . 51947 3
45 1 120.378 . . . . . . . . . . . . . 51947 3
45 2 52.049 . . . . . . . . . . . . . 51947 3
45 3 8.073 . . . . . . . . . . . . . 51947 3
46 1 120.352 . . . . . . . . . . . . . 51947 3
46 2 39.394 . . . . . . . . . . . . . 51947 3
46 3 8.073 . . . . . . . . . . . . . 51947 3
47 1 120.235 . . . . . . . . . . . . . 51947 3
47 2 35.701 . . . . . . . . . . . . . 51947 3
47 3 8.017 . . . . . . . . . . . . . 51947 3
48 1 120.229 . . . . . . . . . . . . . 51947 3
48 2 50.329 . . . . . . . . . . . . . 51947 3
48 3 8.017 . . . . . . . . . . . . . 51947 3
49 1 120.000 . . . . . . . . . . . . . 51947 3
49 2 38.031 . . . . . . . . . . . . . 51947 3
49 3 7.961 . . . . . . . . . . . . . 51947 3
50 1 119.987 . . . . . . . . . . . . . 51947 3
50 2 51.353 . . . . . . . . . . . . . 51947 3
50 3 7.961 . . . . . . . . . . . . . 51947 3
51 1 119.861 . . . . . . . . . . . . . 51947 3
51 2 16.103 . . . . . . . . . . . . . 51947 3
51 3 7.908 . . . . . . . . . . . . . 51947 3
52 1 119.861 . . . . . . . . . . . . . 51947 3
52 2 49.933 . . . . . . . . . . . . . 51947 3
52 3 7.907 . . . . . . . . . . . . . 51947 3
53 1 119.395 . . . . . . . . . . . . . 51947 3
53 2 28.970 . . . . . . . . . . . . . 51947 3
53 3 8.005 . . . . . . . . . . . . . 51947 3
54 1 119.372 . . . . . . . . . . . . . 51947 3
54 2 60.306 . . . . . . . . . . . . . 51947 3
54 3 8.002 . . . . . . . . . . . . . 51947 3
55 1 118.650 . . . . . . . . . . . . . 51947 3
55 2 52.371 . . . . . . . . . . . . . 51947 3
55 3 8.132 . . . . . . . . . . . . . 51947 3
56 1 118.776 . . . . . . . . . . . . . 51947 3
56 2 39.083 . . . . . . . . . . . . . 51947 3
56 3 8.130 . . . . . . . . . . . . . 51947 3
57 1 116.762 . . . . . . . . . . . . . 51947 3
57 2 29.934 . . . . . . . . . . . . . 51947 3
57 3 8.206 . . . . . . . . . . . . . 51947 3
58 1 116.761 . . . . . . . . . . . . . 51947 3
58 2 53.435 . . . . . . . . . . . . . 51947 3
58 3 8.204 . . . . . . . . . . . . . 51947 3
59 1 116.250 . . . . . . . . . . . . . 51947 3
59 2 54.078 . . . . . . . . . . . . . 51947 3
59 3 8.117 . . . . . . . . . . . . . 51947 3
60 1 116.199 . . . . . . . . . . . . . 51947 3
60 2 53.682 . . . . . . . . . . . . . 51947 3
60 3 8.149 . . . . . . . . . . . . . 51947 3
61 1 116.198 . . . . . . . . . . . . . 51947 3
61 2 27.349 . . . . . . . . . . . . . 51947 3
61 3 8.149 . . . . . . . . . . . . . 51947 3
62 1 116.211 . . . . . . . . . . . . . 51947 3
62 2 27.046 . . . . . . . . . . . . . 51947 3
62 3 8.110 . . . . . . . . . . . . . 51947 3
63 1 112.048 . . . . . . . . . . . . . 51947 3
63 2 50.036 . . . . . . . . . . . . . 51947 3
63 3 6.760 . . . . . . . . . . . . . 51947 3
64 1 112.028 . . . . . . . . . . . . . 51947 3
64 2 36.119 . . . . . . . . . . . . . 51947 3
64 3 6.760 . . . . . . . . . . . . . 51947 3
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 108.840 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 3
1 2 . . . 39.161 . . . . . . 371 LEU CB . . . . . . . . . . . . 51947 3
1 3 . . . 8.395 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 3
2 1 . . . 108.834 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 3
2 2 . . . 52.512 . . . . . . 371 LEU CA . . . . . . . . . . . . 51947 3
2 3 . . . 8.395 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 3
3 1 . . . 113.796 . . . . . . 367 THR N . . . . . . . . . . . . 51947 3
3 2 . . . 42.365 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 3
3 3 . . . 8.184 . . . . . . 367 THR H . . . . . . . . . . . . 51947 3
4 1 . . . 113.616 . . . . . . 373 THR N . . . . . . . . . . . . 51947 3
4 2 . . . 42.585 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 3
4 3 . . . 7.869 . . . . . . 373 THR H . . . . . . . . . . . . 51947 3
5 1 . . . 114.054 . . . . . . 398 THR N . . . . . . . . . . . . 51947 3
5 2 . . . 39.275 . . . . . . 397 LEU CB . . . . . . . . . . . . 51947 3
5 3 . . . 7.736 . . . . . . 398 THR H . . . . . . . . . . . . 51947 3
6 1 . . . 114.052 . . . . . . 398 THR N . . . . . . . . . . . . 51947 3
6 2 . . . 51.970 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 3
6 3 . . . 7.737 . . . . . . 398 THR H . . . . . . . . . . . . 51947 3
7 1 . . . 128.954 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 3
7 2 . . . 26.546 . . . . . . 399 TRP CB . . . . . . . . . . . . 51947 3
7 3 . . . 7.550 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 3
8 1 . . . 128.954 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 3
8 2 . . . 53.827 . . . . . . 399 TRP CA . . . . . . . . . . . . 51947 3
8 3 . . . 7.550 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 3
9 1 . . . 125.511 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 3
9 2 . . . 60.654 . . . . . . 388 SER CB . . . . . . . . . . . . 51947 3
9 3 . . . 8.124 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 3
10 1 . . . 125.492 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 3
10 2 . . . 55.763 . . . . . . 388 SER CA . . . . . . . . . . . . 51947 3
10 3 . . . 8.124 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 3
11 1 . . . 124.607 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 3
11 2 . . . 58.899 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 3
11 3 . . . 8.163 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 3
12 1 . . . 124.582 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 3
12 2 . . . 66.770 . . . . . . 373 THR CB . . . . . . . . . . . . 51947 3
12 3 . . . 8.164 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 3
13 1 . . . 123.900 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 3
13 2 . . . 59.300 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 3
13 3 . . . 8.286 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 3
14 1 . . . 123.921 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 3
14 2 . . . 29.773 . . . . . . 369 VAL CB . . . . . . . . . . . . 51947 3
14 3 . . . 8.286 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 3
15 1 . . . 123.632 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 3
15 2 . . . 38.162 . . . . . . 370 ASP CB . . . . . . . . . . . . 51947 3
15 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 3
16 1 . . . 123.634 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 3
16 2 . . . 51.254 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 3
16 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 3
17 1 . . . 123.559 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 3
17 2 . . . 55.418 . . . . . . 393 SER CA . . . . . . . . . . . . 51947 3
17 3 . . . 8.194 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 3
18 1 . . . 123.590 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 3
18 2 . . . 60.842 . . . . . . 393 SER CB . . . . . . . . . . . . 51947 3
18 3 . . . 8.195 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 3
19 1 . . . 123.785 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 3
19 2 . . . 51.898 . . . . . . 379 LEU CA . . . . . . . . . . . . 51947 3
19 3 . . . 7.971 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 3
20 1 . . . 123.746 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 3
20 2 . . . 38.942 . . . . . . 379 LEU CB . . . . . . . . . . . . 51947 3
20 3 . . . 7.969 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 3
21 1 . . . 123.865 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 3
21 2 . . . 54.169 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 3
21 3 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 3
22 1 . . . 123.881 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 3
22 2 . . . 36.133 . . . . . . 396 PHE CB . . . . . . . . . . . . 51947 3
22 3 . . . 7.900 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 3
23 1 . . . 122.918 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 3
23 2 . . . 66.757 . . . . . . 398 THR CB . . . . . . . . . . . . 51947 3
23 3 . . . 7.856 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 3
24 1 . . . 122.920 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 3
24 2 . . . 58.751 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 3
24 3 . . . 7.856 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 3
25 1 . . . 123.046 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 3
25 2 . . . 59.861 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 3
25 3 . . . 8.324 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 3
26 1 . . . 123.043 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 3
26 2 . . . 29.463 . . . . . . 386 VAL CB . . . . . . . . . . . . 51947 3
26 3 . . . 8.324 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 3
27 1 . . . 122.945 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 3
27 2 . . . 60.925 . . . . . . 376 SER CB . . . . . . . . . . . . 51947 3
27 3 . . . 8.424 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 3
28 1 . . . 122.939 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 3
28 2 . . . 55.479 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 3
28 3 . . . 8.425 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 3
29 1 . . . 121.980 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 3
29 2 . . . 37.997 . . . . . . 378 ASP CB . . . . . . . . . . . . 51947 3
29 3 . . . 7.949 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 3
30 1 . . . 121.996 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 3
30 2 . . . 51.422 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 3
30 3 . . . 7.948 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 3
31 1 . . . 121.985 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 3
31 2 . . . 59.892 . . . . . . 381 PRO CA . . . . . . . . . . . . 51947 3
31 3 . . . 8.076 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 3
32 1 . . . 121.984 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 3
32 2 . . . 29.140 . . . . . . 381 PRO CB . . . . . . . . . . . . 51947 3
32 3 . . . 8.076 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 3
33 1 . . . 121.592 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 3
33 2 . . . 35.665 . . . . . . 391 ASN CB . . . . . . . . . . . . 51947 3
33 3 . . . 8.085 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 3
34 1 . . . 121.576 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 3
34 2 . . . 50.217 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 3
34 3 . . . 8.085 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 3
35 1 . . . 121.752 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 3
35 2 . . . 52.242 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 3
35 3 . . . 8.363 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 3
36 1 . . . 121.756 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 3
36 2 . . . 39.260 . . . . . . 374 LEU CB . . . . . . . . . . . . 51947 3
36 3 . . . 8.363 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 3
37 1 . . . 121.465 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 3
37 2 . . . 58.741 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 3
37 3 . . . 8.430 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 3
38 1 . . . 121.402 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 3
38 2 . . . 66.721 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 3
38 3 . . . 8.430 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 3
39 1 . . . 121.279 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 3
39 2 . . . 36.206 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 3
39 3 . . . 8.183 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 3
40 1 . . . 121.253 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 3
40 2 . . . 49.999 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 3
40 3 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 3
41 1 . . . 120.663 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 3
41 2 . . . 54.305 . . . . . . 383 PHE CA . . . . . . . . . . . . 51947 3
41 3 . . . 8.253 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 3
42 1 . . . 120.632 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 3
42 2 . . . 36.758 . . . . . . 383 PHE CB . . . . . . . . . . . . 51947 3
42 3 . . . 8.253 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 3
43 1 . . . 120.729 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 3
43 2 . . . 27.407 . . . . . . 377 GLU CB . . . . . . . . . . . . 51947 3
43 3 . . . 8.214 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 3
44 1 . . . 120.733 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 3
44 2 . . . 53.805 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 3
44 3 . . . 8.214 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 3
45 1 . . . 120.378 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 3
45 2 . . . 52.049 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 3
45 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 3
46 1 . . . 120.352 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 3
46 2 . . . 39.394 . . . . . . 382 LEU CB . . . . . . . . . . . . 51947 3
46 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 3
47 1 . . . 120.235 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 3
47 2 . . . 35.701 . . . . . . 368 ASN CB . . . . . . . . . . . . 51947 3
47 3 . . . 8.017 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 3
48 1 . . . 120.229 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 3
48 2 . . . 50.329 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 3
48 3 . . . 8.017 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 3
49 1 . . . 120.000 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 3
49 2 . . . 38.031 . . . . . . 385 ASP CB . . . . . . . . . . . . 51947 3
49 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 3
50 1 . . . 119.987 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 3
50 2 . . . 51.353 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 3
50 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 3
51 1 . . . 119.861 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 3
51 2 . . . 16.103 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 3
51 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 3
52 1 . . . 119.861 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 3
52 2 . . . 49.933 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 3
52 3 . . . 7.907 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 3
53 1 . . . 119.395 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 3
53 2 . . . 28.970 . . . . . . 395 PRO CB . . . . . . . . . . . . 51947 3
53 3 . . . 8.005 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 3
54 1 . . . 119.372 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 3
54 2 . . . 60.306 . . . . . . 395 PRO CA . . . . . . . . . . . . 51947 3
54 3 . . . 8.002 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 3
55 1 . . . 118.650 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 3
55 2 . . . 52.371 . . . . . . 390 LEU CA . . . . . . . . . . . . 51947 3
55 3 . . . 8.132 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 3
56 1 . . . 118.776 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 3
56 2 . . . 39.083 . . . . . . 390 LEU CB . . . . . . . . . . . . 51947 3
56 3 . . . 8.130 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 3
57 1 . . . 116.762 . . . . . . 393 SER N . . . . . . . . . . . . 51947 3
57 2 . . . 29.934 . . . . . . 392 LYS CB . . . . . . . . . . . . 51947 3
57 3 . . . 8.206 . . . . . . 393 SER H . . . . . . . . . . . . 51947 3
58 1 . . . 116.761 . . . . . . 393 SER N . . . . . . . . . . . . 51947 3
58 2 . . . 53.435 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 3
58 3 . . . 8.204 . . . . . . 393 SER H . . . . . . . . . . . . 51947 3
59 1 . . . 116.250 . . . . . . 388 SER N . . . . . . . . . . . . 51947 3
59 2 . . . 54.078 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 3
59 3 . . . 8.117 . . . . . . 388 SER H . . . . . . . . . . . . 51947 3
60 1 . . . 116.199 . . . . . . 376 SER N . . . . . . . . . . . . 51947 3
60 2 . . . 53.682 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 3
60 3 . . . 8.149 . . . . . . 376 SER H . . . . . . . . . . . . 51947 3
61 1 . . . 116.198 . . . . . . 376 SER N . . . . . . . . . . . . 51947 3
61 2 . . . 27.349 . . . . . . 375 GLU CB . . . . . . . . . . . . 51947 3
61 3 . . . 8.149 . . . . . . 376 SER H . . . . . . . . . . . . 51947 3
62 1 . . . 116.211 . . . . . . 388 SER N . . . . . . . . . . . . 51947 3
62 2 . . . 27.046 . . . . . . 387 GLU CB . . . . . . . . . . . . 51947 3
62 3 . . . 8.110 . . . . . . 388 SER H . . . . . . . . . . . . 51947 3
63 1 . . . 112.048 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 3
63 2 . . . 50.036 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 3
63 3 . . . 6.760 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 3
64 1 . . . 112.028 . . . . . . 384 ASN ND2 . . . . . . . . . . . . 51947 3
64 2 . . . 36.119 . . . . . . 384 ASN CB . . . . . . . . . . . . 51947 3
64 3 . . . 6.760 . . . . . . 384 ASN HD22 . . . . . . . . . . . . 51947 3
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . -1680221798400.000000 . . . 108.840 . 39.161 . 8.395 . . . . . 372 . GLY N . . . . 371 . LEU CB . . . . 372 . GLY H . . . . . . . . . . 51947 3
. 10 . . . -277117894656.000000 . . . 125.492 . 55.763 . 8.124 . . . . . 389 . ALA N . . . . 388 . SER CA . . . . 389 . ALA H . . . . . . . . . . 51947 3
. 11 . . . -442279395328.000000 . . . 124.607 . 58.899 . 8.163 . . . . . 374 . LEU N . . . . 373 . THR CA . . . . 374 . LEU H . . . . . . . . . . 51947 3
. 12 . . . -553403023360.000000 . . . 124.582 . 66.770 . 8.164 . . . . . 374 . LEU N . . . . 373 . THR CB . . . . 374 . LEU H . . . . . . . . . . 51947 3
. 13 . . . -567341350912.000000 . . . 123.900 . 59.300 . 8.286 . . . . . 370 . ASP N . . . . 369 . VAL CA . . . . 370 . ASP H . . . . . . . . . . 51947 3
. 14 . . . -240629940224.000000 . . . 123.921 . 29.773 . 8.286 . . . . . 370 . ASP N . . . . 369 . VAL CB . . . . 370 . ASP H . . . . . . . . . . 51947 3
. 15 . . . -1117784375296.000000 . . . 123.632 . 38.162 . 8.233 . . . . . 371 . LEU N . . . . 370 . ASP CB . . . . 371 . LEU H . . . . . . . . . . 51947 3
. 16 . . . -651308171264.000000 . . . 123.634 . 51.254 . 8.233 . . . . . 371 . LEU N . . . . 370 . ASP CA . . . . 371 . LEU H . . . . . . . . . . 51947 3
. 17 . . . -319816794112.000000 . . . 123.559 . 55.418 . 8.194 . . . . . 394 . GLU N . . . . 393 . SER CA . . . . 394 . GLU H . . . . . . . . . . 51947 3
. 18 . . . -616523431936.000000 . . . 123.590 . 60.842 . 8.195 . . . . . 394 . GLU N . . . . 393 . SER CB . . . . 394 . GLU H . . . . . . . . . . 51947 3
. 19 . . . -245343076352.000000 . . . 123.785 . 51.898 . 7.971 . . . . . 380 . ILE N . . . . 379 . LEU CA . . . . 380 . ILE H . . . . . . . . . . 51947 3
. 2 . . . -2266465828864.000000 . . . 108.834 . 52.512 . 8.395 . . . . . 372 . GLY N . . . . 371 . LEU CA . . . . 372 . GLY H . . . . . . . . . . 51947 3
. 20 . . . -186647724032.000000 . . . 123.746 . 38.942 . 7.969 . . . . . 380 . ILE N . . . . 379 . LEU CB . . . . 380 . ILE H . . . . . . . . . . 51947 3
. 21 . . . -156993552384.000000 . . . 123.865 . 54.169 . 7.901 . . . . . 397 . LEU N . . . . 396 . PHE CA . . . . 397 . LEU H . . . . . . . . . . 51947 3
. 22 . . . -147255885824.000000 . . . 123.881 . 36.133 . 7.900 . . . . . 397 . LEU N . . . . 396 . PHE CB . . . . 397 . LEU H . . . . . . . . . . 51947 3
. 23 . . . -285860397056.000000 . . . 122.918 . 66.757 . 7.856 . . . . . 399 . TRP N . . . . 398 . THR CB . . . . 399 . TRP H . . . . . . . . . . 51947 3
. 24 . . . -282536968192.000000 . . . 122.920 . 58.751 . 7.856 . . . . . 399 . TRP N . . . . 398 . THR CA . . . . 399 . TRP H . . . . . . . . . . 51947 3
. 25 . . . -447809880064.000000 . . . 123.046 . 59.861 . 8.324 . . . . . 387 . GLU N . . . . 386 . VAL CA . . . . 387 . GLU H . . . . . . . . . . 51947 3
. 26 . . . -197790203904.000000 . . . 123.043 . 29.463 . 8.324 . . . . . 387 . GLU N . . . . 386 . VAL CB . . . . 387 . GLU H . . . . . . . . . . 51947 3
. 27 . . . -993924415488.000000 . . . 122.945 . 60.925 . 8.424 . . . . . 377 . GLU N . . . . 376 . SER CB . . . . 377 . GLU H . . . . . . . . . . 51947 3
. 28 . . . -505885818880.000000 . . . 122.939 . 55.479 . 8.425 . . . . . 377 . GLU N . . . . 376 . SER CA . . . . 377 . GLU H . . . . . . . . . . 51947 3
. 29 . . . -1055776899072.000000 . . . 121.980 . 37.997 . 7.949 . . . . . 379 . LEU N . . . . 378 . ASP CB . . . . 379 . LEU H . . . . . . . . . . 51947 3
. 3 . . . -8305445437440.000000 . . . 113.796 . 42.365 . 8.184 . . . . . 367 . THR N . . . . 366 . GLY CA . . . . 367 . THR H . . . . . . . . . . 51947 3
. 30 . . . -592784850944.000000 . . . 121.996 . 51.422 . 7.948 . . . . . 379 . LEU N . . . . 378 . ASP CA . . . . 379 . LEU H . . . . . . . . . . 51947 3
. 31 . . . -477144252416.000000 . . . 121.985 . 59.892 . 8.076 . . . . . 382 . LEU N . . . . 381 . PRO CA . . . . 382 . LEU H . . . . . . . . . . 51947 3
. 32 . . . -344540413952.000000 . . . 121.984 . 29.140 . 8.076 . . . . . 382 . LEU N . . . . 381 . PRO CB . . . . 382 . LEU H . . . . . . . . . . 51947 3
. 33 . . . -455157121024.000000 . . . 121.592 . 35.665 . 8.085 . . . . . 392 . LYS N . . . . 391 . ASN CB . . . . 392 . LYS H . . . . . . . . . . 51947 3
. 34 . . . -236649037824.000000 . . . 121.576 . 50.217 . 8.085 . . . . . 392 . LYS N . . . . 391 . ASN CA . . . . 392 . LYS H . . . . . . . . . . 51947 3
. 35 . . . -351174295552.000000 . . . 121.752 . 52.242 . 8.363 . . . . . 375 . GLU N . . . . 374 . LEU CA . . . . 375 . GLU H . . . . . . . . . . 51947 3
. 36 . . . -263242301440.000000 . . . 121.756 . 39.260 . 8.363 . . . . . 375 . GLU N . . . . 374 . LEU CB . . . . 375 . GLU H . . . . . . . . . . 51947 3
. 37 . . . -400189030400.000000 . . . 121.465 . 58.741 . 8.430 . . . . . 368 . ASN N . . . . 367 . THR CA . . . . 368 . ASN H . . . . . . . . . . 51947 3
. 38 . . . -478846484480.000000 . . . 121.402 . 66.721 . 8.430 . . . . . 368 . ASN N . . . . 367 . THR CB . . . . 368 . ASN H . . . . . . . . . . 51947 3
. 39 . . . -924519301120.000000 . . . 121.279 . 36.206 . 8.183 . . . . . 385 . ASP N . . . . 384 . ASN CB . . . . 385 . ASP H . . . . . . . . . . 51947 3
. 4 . . . -9418534027264.000000 . . . 113.616 . 42.585 . 7.869 . . . . . 373 . THR N . . . . 372 . GLY CA . . . . 373 . THR H . . . . . . . . . . 51947 3
. 40 . . . -555070717952.000000 . . . 121.253 . 49.999 . 8.184 . . . . . 385 . ASP N . . . . 384 . ASN CA . . . . 385 . ASP H . . . . . . . . . . 51947 3
. 41 . . . -183680385024.000000 . . . 120.663 . 54.305 . 8.253 . . . . . 384 . ASN N . . . . 383 . PHE CA . . . . 384 . ASN H . . . . . . . . . . 51947 3
. 42 . . . -241220993024.000000 . . . 120.632 . 36.758 . 8.253 . . . . . 384 . ASN N . . . . 383 . PHE CB . . . . 384 . ASN H . . . . . . . . . . 51947 3
. 43 . . . -557787316224.000000 . . . 120.729 . 27.407 . 8.214 . . . . . 378 . ASP N . . . . 377 . GLU CB . . . . 378 . ASP H . . . . . . . . . . 51947 3
. 44 . . . -749780992000.000000 . . . 120.733 . 53.805 . 8.214 . . . . . 378 . ASP N . . . . 377 . GLU CA . . . . 378 . ASP H . . . . . . . . . . 51947 3
. 45 . . . -262033391616.000000 . . . 120.378 . 52.049 . 8.073 . . . . . 383 . PHE N . . . . 382 . LEU CA . . . . 383 . PHE H . . . . . . . . . . 51947 3
. 46 . . . -240067837952.000000 . . . 120.352 . 39.394 . 8.073 . . . . . 383 . PHE N . . . . 382 . LEU CB . . . . 383 . PHE H . . . . . . . . . . 51947 3
. 47 . . . -1020832120832.000000 . . . 120.235 . 35.701 . 8.017 . . . . . 369 . VAL N . . . . 368 . ASN CB . . . . 369 . VAL H . . . . . . . . . . 51947 3
. 48 . . . -550642122752.000000 . . . 120.229 . 50.329 . 8.017 . . . . . 369 . VAL N . . . . 368 . ASN CA . . . . 369 . VAL H . . . . . . . . . . 51947 3
. 49 . . . -1095640678400.000000 . . . 120.000 . 38.031 . 7.961 . . . . . 386 . VAL N . . . . 385 . ASP CB . . . . 386 . VAL H . . . . . . . . . . 51947 3
. 5 . . . -724318617600.000000 . . . 114.054 . 39.275 . 7.736 . . . . . 398 . THR N . . . . 397 . LEU CB . . . . 398 . THR H . . . . . . . . . . 51947 3
. 50 . . . -642514616320.000000 . . . 119.987 . 51.353 . 7.961 . . . . . 386 . VAL N . . . . 385 . ASP CA . . . . 386 . VAL H . . . . . . . . . . 51947 3
. 51 . . . -622298529792.000000 . . . 119.861 . 16.103 . 7.908 . . . . . 390 . LEU N . . . . 389 . ALA CB . . . . 390 . LEU H . . . . . . . . . . 51947 3
. 52 . . . -590063992832.000000 . . . 119.861 . 49.933 . 7.907 . . . . . 390 . LEU N . . . . 389 . ALA CA . . . . 390 . LEU H . . . . . . . . . . 51947 3
. 53 . . . -261209489408.000000 . . . 119.395 . 28.970 . 8.005 . . . . . 396 . PHE N . . . . 395 . PRO CB . . . . 396 . PHE H . . . . . . . . . . 51947 3
. 54 . . . -343653744640.000000 . . . 119.372 . 60.306 . 8.002 . . . . . 396 . PHE N . . . . 395 . PRO CA . . . . 396 . PHE H . . . . . . . . . . 51947 3
. 55 . . . -196986765312.000000 . . . 118.650 . 52.371 . 8.132 . . . . . 391 . ASN N . . . . 390 . LEU CA . . . . 391 . ASN H . . . . . . . . . . 51947 3
. 56 . . . -219495235584.000000 . . . 118.776 . 39.083 . 8.130 . . . . . 391 . ASN N . . . . 390 . LEU CB . . . . 391 . ASN H . . . . . . . . . . 51947 3
. 57 . . . -203209408512.000000 . . . 116.762 . 29.934 . 8.206 . . . . . 393 . SER N . . . . 392 . LYS CB . . . . 393 . SER H . . . . . . . . . . 51947 3
. 58 . . . -303558557696.000000 . . . 116.761 . 53.435 . 8.204 . . . . . 393 . SER N . . . . 392 . LYS CA . . . . 393 . SER H . . . . . . . . . . 51947 3
. 59 . . . -3895359700992.000000 . . . 116.250 . 54.078 . 8.117 . . . . . 388 . SER N . . . . 387 . GLU CA . . . . 388 . SER H . . . . . . . . . . 51947 3
. 6 . . . -1006968307712.000000 . . . 114.052 . 51.970 . 7.737 . . . . . 398 . THR N . . . . 397 . LEU CA . . . . 398 . THR H . . . . . . . . . . 51947 3
. 60 . . . -5005130072064.000000 . . . 116.199 . 53.682 . 8.149 . . . . . 376 . SER N . . . . 375 . GLU CA . . . . 376 . SER H . . . . . . . . . . 51947 3
. 61 . . . -4047745843200.000000 . . . 116.198 . 27.349 . 8.149 . . . . . 376 . SER N . . . . 375 . GLU CB . . . . 376 . SER H . . . . . . . . . . 51947 3
. 62 . . . -2245385519104.000000 . . . 116.211 . 27.046 . 8.110 . . . . . 388 . SER N . . . . 387 . GLU CB . . . . 388 . SER H . . . . . . . . . . 51947 3
. 63 . . . -575537807360.000000 . . . 112.048 . 50.036 . 6.760 . . . . . 384 . ASN ND2 . . . . 384 . ASN CA . . . . 384 . ASN HD22 . . . . . . . . . . 51947 3
. 64 . . . -520941404160.000000 . . . 112.028 . 36.119 . 6.760 . . . . . 384 . ASN ND2 . . . . 384 . ASN CB . . . . 384 . ASN HD22 . . . . . . . . . . 51947 3
. 7 . . . -456694530048.000000 . . . 128.954 . 26.546 . 7.550 . . . . . 400 . LEU N . . . . 399 . TRP CB . . . . 400 . LEU H . . . . . . . . . . 51947 3
. 8 . . . -386896756736.000000 . . . 128.954 . 53.827 . 7.550 . . . . . 400 . LEU N . . . . 399 . TRP CA . . . . 400 . LEU H . . . . . . . . . . 51947 3
. 9 . . . -540998336512.000000 . . . 125.511 . 60.654 . 8.124 . . . . . 389 . ALA N . . . . 388 . SER CB . . . . 389 . ALA H . . . . . . . . . . 51947 3
stop_
save_
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name 'peak list 4 hnca scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 4
_Spectral_peak_list.Experiment_name '3D HNCA'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . N 15 N* . 'not observed' 2725 Hz . . . . . . 51947 4
2 . . C 13 C* . 'not observed' 5000 Hz . . . . . . 51947 4
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 4
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 4
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 -6765852753920.000000 . height 51947 4
2 -239385739264.000000 . height 51947 4
3 -132742864896.000000 . height 51947 4
4 -3866016874496.000000 . height 51947 4
5 -1601292206080.000000 . height 51947 4
6 -2404192354304.000000 . height 51947 4
7 -386250735616.000000 . height 51947 4
8 0.0 . height 51947 4
9 -333278707712.000000 . height 51947 4
10 -376795725824.000000 . height 51947 4
11 -247863902208.000000 . height 51947 4
12 -914752667648.000000 . height 51947 4
13 -462098726912.000000 . height 51947 4
14 -274883575808.000000 . height 51947 4
15 -409878560768.000000 . height 51947 4
16 -468899528704.000000 . height 51947 4
17 -143015247872.000000 . height 51947 4
18 -192939982848.000000 . height 51947 4
19 -68928126976.000000 . height 51947 4
20 -120924209152.000000 . height 51947 4
21 -241814405120.000000 . height 51947 4
22 -830381000000.000000 . height 51947 4
23 -214440443904.000000 . height 51947 4
24 -1954982920192.000000 . height 51947 4
25 -367903703040.000000 . height 51947 4
26 -472908234752.000000 . height 51947 4
27 -416571981824.000000 . height 51947 4
28 -326599573504.000000 . height 51947 4
29 -252718661632.000000 . height 51947 4
30 -83085721600.000000 . height 51947 4
31 -1187406020608.000000 . height 51947 4
32 -90068885504.000000 . height 51947 4
33 -119809114112.000000 . height 51947 4
34 -314574929920.000000 . height 51947 4
35 -563054051328.000000 . height 51947 4
36 -209265852416.000000 . height 51947 4
37 -927459573760.000000 . height 51947 4
38 -371192627200.000000 . height 51947 4
39 -298659741696.000000 . height 51947 4
40 -256489111552.000000 . height 51947 4
41 -519891714048.000000 . height 51947 4
42 -280884281344.000000 . height 51947 4
43 -617642328064.000000 . height 51947 4
44 -381439311872.000000 . height 51947 4
45 -265285156864.000000 . height 51947 4
46 -290765930496.000000 . height 51947 4
47 -152529092608.000000 . height 51947 4
48 -228187897856.000000 . height 51947 4
49 -2505647849472.000000 . height 51947 4
50 -5386843193344.000000 . height 51947 4
51 -1904161193984.000000 . height 51947 4
52 -3311273508864.000000 . height 51947 4
53 -180802797568.000000 . height 51947 4
54 0.0 . height 51947 4
55 -133645877248.000000 . height 51947 4
56 -496131833856.000000 . height 51947 4
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 108.851 . . . . . . . . . . . . . 51947 4
1 2 42.513 . . . . . . . . . . . . . 51947 4
1 3 8.398 . . . . . . . . . . . . . 51947 4
2 1 113.776 . . . . . . . . . . . . . 51947 4
2 2 58.785 . . . . . . . . . . . . . 51947 4
2 3 8.187 . . . . . . . . . . . . . 51947 4
3 1 113.744 . . . . . . . . . . . . . 51947 4
3 2 42.263 . . . . . . . . . . . . . 51947 4
3 3 8.185 . . . . . . . . . . . . . 51947 4
4 1 113.588 . . . . . . . . . . . . . 51947 4
4 2 58.881 . . . . . . . . . . . . . 51947 4
4 3 7.870 . . . . . . . . . . . . . 51947 4
5 1 113.605 . . . . . . . . . . . . . 51947 4
5 2 42.496 . . . . . . . . . . . . . 51947 4
5 3 7.875 . . . . . . . . . . . . . 51947 4
6 1 114.039 . . . . . . . . . . . . . 51947 4
6 2 58.713 . . . . . . . . . . . . . 51947 4
6 3 7.738 . . . . . . . . . . . . . 51947 4
7 1 113.987 . . . . . . . . . . . . . 51947 4
7 2 51.943 . . . . . . . . . . . . . 51947 4
7 3 7.737 . . . . . . . . . . . . . 51947 4
8 1 125.379 . . . . . . . . . . . . . 51947 4
8 2 49.878 . . . . . . . . . . . . . 51947 4
8 3 8.125 . . . . . . . . . . . . . 51947 4
9 1 124.457 . . . . . . . . . . . . . 51947 4
9 2 58.856 . . . . . . . . . . . . . 51947 4
9 3 8.165 . . . . . . . . . . . . . 51947 4
10 1 124.458 . . . . . . . . . . . . . 51947 4
10 2 52.294 . . . . . . . . . . . . . 51947 4
10 3 8.164 . . . . . . . . . . . . . 51947 4
11 1 123.797 . . . . . . . . . . . . . 51947 4
11 2 59.364 . . . . . . . . . . . . . 51947 4
11 3 8.287 . . . . . . . . . . . . . 51947 4
12 1 123.794 . . . . . . . . . . . . . 51947 4
12 2 51.180 . . . . . . . . . . . . . 51947 4
12 3 8.287 . . . . . . . . . . . . . 51947 4
13 1 123.516 . . . . . . . . . . . . . 51947 4
13 2 51.193 . . . . . . . . . . . . . 51947 4
13 3 8.233 . . . . . . . . . . . . . 51947 4
14 1 123.483 . . . . . . . . . . . . . 51947 4
14 2 52.530 . . . . . . . . . . . . . 51947 4
14 3 8.233 . . . . . . . . . . . . . 51947 4
15 1 123.499 . . . . . . . . . . . . . 51947 4
15 2 51.450 . . . . . . . . . . . . . 51947 4
15 3 8.196 . . . . . . . . . . . . . 51947 4
16 1 123.640 . . . . . . . . . . . . . 51947 4
16 2 55.817 . . . . . . . . . . . . . 51947 4
16 3 7.972 . . . . . . . . . . . . . 51947 4
17 1 123.590 . . . . . . . . . . . . . 51947 4
17 2 51.998 . . . . . . . . . . . . . 51947 4
17 3 7.970 . . . . . . . . . . . . . 51947 4
18 1 123.747 . . . . . . . . . . . . . 51947 4
18 2 51.952 . . . . . . . . . . . . . 51947 4
18 3 7.901 . . . . . . . . . . . . . 51947 4
19 1 123.711 . . . . . . . . . . . . . 51947 4
19 2 54.284 . . . . . . . . . . . . . 51947 4
19 3 7.901 . . . . . . . . . . . . . 51947 4
20 1 122.803 . . . . . . . . . . . . . 51947 4
20 2 58.673 . . . . . . . . . . . . . 51947 4
20 3 7.858 . . . . . . . . . . . . . 51947 4
21 1 122.928 . . . . . . . . . . . . . 51947 4
21 2 59.945 . . . . . . . . . . . . . 51947 4
21 3 8.324 . . . . . . . . . . . . . 51947 4
22 1 122.944 . . . . . . . . . . . . . 51947 4
22 2 54.206 . . . . . . . . . . . . . 51947 4
22 3 8.325 . . . . . . . . . . . . . 51947 4
23 1 122.885 . . . . . . . . . . . . . 51947 4
23 2 55.377 . . . . . . . . . . . . . 51947 4
23 3 8.426 . . . . . . . . . . . . . 51947 4
24 1 122.883 . . . . . . . . . . . . . 51947 4
24 2 53.761 . . . . . . . . . . . . . 51947 4
24 3 8.410 . . . . . . . . . . . . . 51947 4
25 1 121.847 . . . . . . . . . . . . . 51947 4
25 2 52.008 . . . . . . . . . . . . . 51947 4
25 3 7.950 . . . . . . . . . . . . . 51947 4
26 1 121.861 . . . . . . . . . . . . . 51947 4
26 2 51.400 . . . . . . . . . . . . . 51947 4
26 3 7.949 . . . . . . . . . . . . . 51947 4
27 1 121.886 . . . . . . . . . . . . . 51947 4
27 2 60.028 . . . . . . . . . . . . . 51947 4
27 3 8.077 . . . . . . . . . . . . . 51947 4
28 1 121.878 . . . . . . . . . . . . . 51947 4
28 2 52.042 . . . . . . . . . . . . . 51947 4
28 3 8.076 . . . . . . . . . . . . . 51947 4
29 1 121.481 . . . . . . . . . . . . . 51947 4
29 2 53.300 . . . . . . . . . . . . . 51947 4
29 3 8.086 . . . . . . . . . . . . . 51947 4
30 1 121.513 . . . . . . . . . . . . . 51947 4
30 2 50.293 . . . . . . . . . . . . . 51947 4
30 3 8.085 . . . . . . . . . . . . . 51947 4
31 1 121.677 . . . . . . . . . . . . . 51947 4
31 2 53.608 . . . . . . . . . . . . . 51947 4
31 3 8.364 . . . . . . . . . . . . . 51947 4
32 1 121.653 . . . . . . . . . . . . . 51947 4
32 2 52.302 . . . . . . . . . . . . . 51947 4
32 3 8.363 . . . . . . . . . . . . . 51947 4
33 1 121.146 . . . . . . . . . . . . . 51947 4
33 2 58.763 . . . . . . . . . . . . . 51947 4
33 3 8.428 . . . . . . . . . . . . . 51947 4
34 1 121.305 . . . . . . . . . . . . . 51947 4
34 2 50.316 . . . . . . . . . . . . . 51947 4
34 3 8.431 . . . . . . . . . . . . . 51947 4
35 1 121.171 . . . . . . . . . . . . . 51947 4
35 2 51.317 . . . . . . . . . . . . . 51947 4
35 3 8.185 . . . . . . . . . . . . . 51947 4
36 1 121.163 . . . . . . . . . . . . . 51947 4
36 2 50.007 . . . . . . . . . . . . . 51947 4
36 3 8.184 . . . . . . . . . . . . . 51947 4
37 1 120.640 . . . . . . . . . . . . . 51947 4
37 2 51.401 . . . . . . . . . . . . . 51947 4
37 3 8.215 . . . . . . . . . . . . . 51947 4
38 1 120.637 . . . . . . . . . . . . . 51947 4
38 2 53.778 . . . . . . . . . . . . . 51947 4
38 3 8.215 . . . . . . . . . . . . . 51947 4
39 1 120.286 . . . . . . . . . . . . . 51947 4
39 2 54.381 . . . . . . . . . . . . . 51947 4
39 3 8.073 . . . . . . . . . . . . . 51947 4
40 1 120.265 . . . . . . . . . . . . . 51947 4
40 2 52.084 . . . . . . . . . . . . . 51947 4
40 3 8.075 . . . . . . . . . . . . . 51947 4
41 1 120.142 . . . . . . . . . . . . . 51947 4
41 2 59.300 . . . . . . . . . . . . . 51947 4
41 3 8.018 . . . . . . . . . . . . . 51947 4
42 1 120.140 . . . . . . . . . . . . . 51947 4
42 2 50.367 . . . . . . . . . . . . . 51947 4
42 3 8.019 . . . . . . . . . . . . . 51947 4
43 1 119.908 . . . . . . . . . . . . . 51947 4
43 2 59.979 . . . . . . . . . . . . . 51947 4
43 3 7.961 . . . . . . . . . . . . . 51947 4
44 1 119.896 . . . . . . . . . . . . . 51947 4
44 2 51.333 . . . . . . . . . . . . . 51947 4
44 3 7.962 . . . . . . . . . . . . . 51947 4
45 1 119.749 . . . . . . . . . . . . . 51947 4
45 2 52.475 . . . . . . . . . . . . . 51947 4
45 3 7.908 . . . . . . . . . . . . . 51947 4
46 1 119.768 . . . . . . . . . . . . . 51947 4
46 2 49.852 . . . . . . . . . . . . . 51947 4
46 3 7.908 . . . . . . . . . . . . . 51947 4
47 1 119.312 . . . . . . . . . . . . . 51947 4
47 2 54.360 . . . . . . . . . . . . . 51947 4
47 3 8.003 . . . . . . . . . . . . . 51947 4
48 1 119.268 . . . . . . . . . . . . . 51947 4
48 2 60.366 . . . . . . . . . . . . . 51947 4
48 3 8.004 . . . . . . . . . . . . . 51947 4
49 1 118.680 . . . . . . . . . . . . . 51947 4
49 2 50.259 . . . . . . . . . . . . . 51947 4
49 3 8.141 . . . . . . . . . . . . . 51947 4
50 1 116.064 . . . . . . . . . . . . . 51947 4
50 2 55.383 . . . . . . . . . . . . . 51947 4
50 3 8.153 . . . . . . . . . . . . . 51947 4
51 1 116.062 . . . . . . . . . . . . . 51947 4
51 2 53.626 . . . . . . . . . . . . . 51947 4
51 3 8.152 . . . . . . . . . . . . . 51947 4
52 1 116.173 . . . . . . . . . . . . . 51947 4
52 2 55.828 . . . . . . . . . . . . . 51947 4
52 3 8.118 . . . . . . . . . . . . . 51947 4
53 1 116.164 . . . . . . . . . . . . . 51947 4
53 2 54.191 . . . . . . . . . . . . . 51947 4
53 3 8.120 . . . . . . . . . . . . . 51947 4
54 1 122.767 . . . . . . . . . . . . . 51947 4
54 2 53.776 . . . . . . . . . . . . . 51947 4
54 3 7.864 . . . . . . . . . . . . . 51947 4
55 1 123.472 . . . . . . . . . . . . . 51947 4
55 2 55.352 . . . . . . . . . . . . . 51947 4
55 3 8.194 . . . . . . . . . . . . . 51947 4
56 1 120.562 . . . . . . . . . . . . . 51947 4
56 2 50.002 . . . . . . . . . . . . . 51947 4
56 3 8.254 . . . . . . . . . . . . . 51947 4
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 108.851 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 4
1 2 . . . 42.513 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 4
1 3 . . . 8.398 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 4
2 1 . . . 113.776 . . . . . . 367 THR N . . . . . . . . . . . . 51947 4
2 2 . . . 58.785 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 4
2 3 . . . 8.187 . . . . . . 367 THR H . . . . . . . . . . . . 51947 4
3 1 . . . 113.744 . . . . . . 367 THR N . . . . . . . . . . . . 51947 4
3 2 . . . 42.263 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 4
3 3 . . . 8.185 . . . . . . 367 THR H . . . . . . . . . . . . 51947 4
4 1 . . . 113.588 . . . . . . 373 THR N . . . . . . . . . . . . 51947 4
4 2 . . . 58.881 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 4
4 3 . . . 7.870 . . . . . . 373 THR H . . . . . . . . . . . . 51947 4
5 1 . . . 113.605 . . . . . . 373 THR N . . . . . . . . . . . . 51947 4
5 2 . . . 42.496 . . . . . . 372 GLY CA . . . . . . . . . . . . 51947 4
5 3 . . . 7.875 . . . . . . 373 THR H . . . . . . . . . . . . 51947 4
6 1 . . . 114.039 . . . . . . 398 THR N . . . . . . . . . . . . 51947 4
6 2 . . . 58.713 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 4
6 3 . . . 7.738 . . . . . . 398 THR H . . . . . . . . . . . . 51947 4
7 1 . . . 113.987 . . . . . . 398 THR N . . . . . . . . . . . . 51947 4
7 2 . . . 51.943 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 4
7 3 . . . 7.737 . . . . . . 398 THR H . . . . . . . . . . . . 51947 4
8 1 . . . 125.379 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 4
8 2 . . . 49.878 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 4
8 3 . . . 8.125 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 4
9 1 . . . 124.457 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 4
9 2 . . . 58.856 . . . . . . 373 THR CA . . . . . . . . . . . . 51947 4
9 3 . . . 8.165 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 4
10 1 . . . 124.458 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 4
10 2 . . . 52.294 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 4
10 3 . . . 8.164 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 4
11 1 . . . 123.797 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 4
11 2 . . . 59.364 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 4
11 3 . . . 8.287 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 4
12 1 . . . 123.794 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 4
12 2 . . . 51.180 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 4
12 3 . . . 8.287 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 4
13 1 . . . 123.516 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 4
13 2 . . . 51.193 . . . . . . 370 ASP CA . . . . . . . . . . . . 51947 4
13 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 4
14 1 . . . 123.483 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 4
14 2 . . . 52.530 . . . . . . 371 LEU CA . . . . . . . . . . . . 51947 4
14 3 . . . 8.233 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 4
15 1 . . . 123.499 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 4
15 2 . . . 51.450 . . . . . . 394 GLU CA . . . . . . . . . . . . 51947 4
15 3 . . . 8.196 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 4
16 1 . . . 123.640 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 4
16 2 . . . 55.817 . . . . . . 380 ILE CA . . . . . . . . . . . . 51947 4
16 3 . . . 7.972 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 4
17 1 . . . 123.590 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 4
17 2 . . . 51.998 . . . . . . 379 LEU CA . . . . . . . . . . . . 51947 4
17 3 . . . 7.970 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 4
18 1 . . . 123.747 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 4
18 2 . . . 51.952 . . . . . . 397 LEU CA . . . . . . . . . . . . 51947 4
18 3 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 4
19 1 . . . 123.711 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 4
19 2 . . . 54.284 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 4
19 3 . . . 7.901 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 4
20 1 . . . 122.803 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 4
20 2 . . . 58.673 . . . . . . 398 THR CA . . . . . . . . . . . . 51947 4
20 3 . . . 7.858 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 4
21 1 . . . 122.928 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 4
21 2 . . . 59.945 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 4
21 3 . . . 8.324 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 4
22 1 . . . 122.944 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 4
22 2 . . . 54.206 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 4
22 3 . . . 8.325 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 4
23 1 . . . 122.885 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 4
23 2 . . . 55.377 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 4
23 3 . . . 8.426 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 4
24 1 . . . 122.883 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 4
24 2 . . . 53.761 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 4
24 3 . . . 8.410 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 4
25 1 . . . 121.847 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 4
25 2 . . . 52.008 . . . . . . 379 LEU CA . . . . . . . . . . . . 51947 4
25 3 . . . 7.950 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 4
26 1 . . . 121.861 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 4
26 2 . . . 51.400 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 4
26 3 . . . 7.949 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 4
27 1 . . . 121.886 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 4
27 2 . . . 60.028 . . . . . . 381 PRO CA . . . . . . . . . . . . 51947 4
27 3 . . . 8.077 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 4
28 1 . . . 121.878 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 4
28 2 . . . 52.042 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 4
28 3 . . . 8.076 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 4
29 1 . . . 121.481 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 4
29 2 . . . 53.300 . . . . . . 392 LYS CA . . . . . . . . . . . . 51947 4
29 3 . . . 8.086 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 4
30 1 . . . 121.513 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 4
30 2 . . . 50.293 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 4
30 3 . . . 8.085 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 4
31 1 . . . 121.677 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 4
31 2 . . . 53.608 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 4
31 3 . . . 8.364 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 4
32 1 . . . 121.653 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 4
32 2 . . . 52.302 . . . . . . 374 LEU CA . . . . . . . . . . . . 51947 4
32 3 . . . 8.363 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 4
33 1 . . . 121.146 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 4
33 2 . . . 58.763 . . . . . . 367 THR CA . . . . . . . . . . . . 51947 4
33 3 . . . 8.428 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 4
34 1 . . . 121.305 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 4
34 2 . . . 50.316 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 4
34 3 . . . 8.431 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 4
35 1 . . . 121.171 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 4
35 2 . . . 51.317 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 4
35 3 . . . 8.185 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 4
36 1 . . . 121.163 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 4
36 2 . . . 50.007 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 4
36 3 . . . 8.184 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 4
37 1 . . . 120.640 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 4
37 2 . . . 51.401 . . . . . . 378 ASP CA . . . . . . . . . . . . 51947 4
37 3 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 4
38 1 . . . 120.637 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 4
38 2 . . . 53.778 . . . . . . 377 GLU CA . . . . . . . . . . . . 51947 4
38 3 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 4
39 1 . . . 120.286 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 4
39 2 . . . 54.381 . . . . . . 383 PHE CA . . . . . . . . . . . . 51947 4
39 3 . . . 8.073 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 4
40 1 . . . 120.265 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 4
40 2 . . . 52.084 . . . . . . 382 LEU CA . . . . . . . . . . . . 51947 4
40 3 . . . 8.075 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 4
41 1 . . . 120.142 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 4
41 2 . . . 59.300 . . . . . . 369 VAL CA . . . . . . . . . . . . 51947 4
41 3 . . . 8.018 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 4
42 1 . . . 120.140 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 4
42 2 . . . 50.367 . . . . . . 368 ASN CA . . . . . . . . . . . . 51947 4
42 3 . . . 8.019 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 4
43 1 . . . 119.908 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 4
43 2 . . . 59.979 . . . . . . 386 VAL CA . . . . . . . . . . . . 51947 4
43 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 4
44 1 . . . 119.896 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 4
44 2 . . . 51.333 . . . . . . 385 ASP CA . . . . . . . . . . . . 51947 4
44 3 . . . 7.962 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 4
45 1 . . . 119.749 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 4
45 2 . . . 52.475 . . . . . . 390 LEU CA . . . . . . . . . . . . 51947 4
45 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 4
46 1 . . . 119.768 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 4
46 2 . . . 49.852 . . . . . . 389 ALA CA . . . . . . . . . . . . 51947 4
46 3 . . . 7.908 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 4
47 1 . . . 119.312 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 4
47 2 . . . 54.360 . . . . . . 396 PHE CA . . . . . . . . . . . . 51947 4
47 3 . . . 8.003 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 4
48 1 . . . 119.268 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 4
48 2 . . . 60.366 . . . . . . 395 PRO CA . . . . . . . . . . . . 51947 4
48 3 . . . 8.004 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 4
49 1 . . . 118.680 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 4
49 2 . . . 50.259 . . . . . . 391 ASN CA . . . . . . . . . . . . 51947 4
49 3 . . . 8.141 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 4
50 1 . . . 116.064 . . . . . . 376 SER N . . . . . . . . . . . . 51947 4
50 2 . . . 55.383 . . . . . . 376 SER CA . . . . . . . . . . . . 51947 4
50 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 4
51 1 . . . 116.062 . . . . . . 376 SER N . . . . . . . . . . . . 51947 4
51 2 . . . 53.626 . . . . . . 375 GLU CA . . . . . . . . . . . . 51947 4
51 3 . . . 8.152 . . . . . . 376 SER H . . . . . . . . . . . . 51947 4
52 1 . . . 116.173 . . . . . . 388 SER N . . . . . . . . . . . . 51947 4
52 2 . . . 55.828 . . . . . . 388 SER CA . . . . . . . . . . . . 51947 4
52 3 . . . 8.118 . . . . . . 388 SER H . . . . . . . . . . . . 51947 4
53 1 . . . 116.164 . . . . . . 388 SER N . . . . . . . . . . . . 51947 4
53 2 . . . 54.191 . . . . . . 387 GLU CA . . . . . . . . . . . . 51947 4
53 3 . . . 8.120 . . . . . . 388 SER H . . . . . . . . . . . . 51947 4
54 1 . . . 122.767 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 4
54 2 . . . 53.776 . . . . . . 399 TRP CA . . . . . . . . . . . . 51947 4
54 3 . . . 7.864 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 4
55 1 . . . 123.472 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 4
55 2 . . . 55.352 . . . . . . 393 SER CA . . . . . . . . . . . . 51947 4
55 3 . . . 8.194 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 4
56 1 . . . 120.562 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 4
56 2 . . . 50.002 . . . . . . 384 ASN CA . . . . . . . . . . . . 51947 4
56 3 . . . 8.254 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 4
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . -6765852753920.000000 . . . 108.851 . 42.513 . 8.398 . . . . . 372 . GLY N . . . . 372 . GLY CA . . . . 372 . GLY H . . . . . . . . . . 51947 4
. 10 . . . -376795725824.000000 . . . 124.458 . 52.294 . 8.164 . . . . . 374 . LEU N . . . . 374 . LEU CA . . . . 374 . LEU H . . . . . . . . . . 51947 4
. 11 . . . -247863902208.000000 . . . 123.797 . 59.364 . 8.287 . . . . . 370 . ASP N . . . . 369 . VAL CA . . . . 370 . ASP H . . . . . . . . . . 51947 4
. 12 . . . -914752667648.000000 . . . 123.794 . 51.180 . 8.287 . . . . . 370 . ASP N . . . . 370 . ASP CA . . . . 370 . ASP H . . . . . . . . . . 51947 4
. 13 . . . -462098726912.000000 . . . 123.516 . 51.193 . 8.233 . . . . . 371 . LEU N . . . . 370 . ASP CA . . . . 371 . LEU H . . . . . . . . . . 51947 4
. 14 . . . -274883575808.000000 . . . 123.483 . 52.530 . 8.233 . . . . . 371 . LEU N . . . . 371 . LEU CA . . . . 371 . LEU H . . . . . . . . . . 51947 4
. 15 . . . -409878560768.000000 . . . 123.499 . 51.450 . 8.196 . . . . . 394 . GLU N . . . . 394 . GLU CA . . . . 394 . GLU H . . . . . . . . . . 51947 4
. 16 . . . -468899528704.000000 . . . 123.640 . 55.817 . 7.972 . . . . . 380 . ILE N . . . . 380 . ILE CA . . . . 380 . ILE H . . . . . . . . . . 51947 4
. 17 . . . -143015247872.000000 . . . 123.590 . 51.998 . 7.970 . . . . . 380 . ILE N . . . . 379 . LEU CA . . . . 380 . ILE H . . . . . . . . . . 51947 4
. 18 . . . -192939982848.000000 . . . 123.747 . 51.952 . 7.901 . . . . . 397 . LEU N . . . . 397 . LEU CA . . . . 397 . LEU H . . . . . . . . . . 51947 4
. 19 . . . -68928126976.000000 . . . 123.711 . 54.284 . 7.901 . . . . . 397 . LEU N . . . . 396 . PHE CA . . . . 397 . LEU H . . . . . . . . . . 51947 4
. 2 . . . -239385739264.000000 . . . 113.776 . 58.785 . 8.187 . . . . . 367 . THR N . . . . 367 . THR CA . . . . 367 . THR H . . . . . . . . . . 51947 4
. 20 . . . -120924209152.000000 . . . 122.803 . 58.673 . 7.858 . . . . . 399 . TRP N . . . . 398 . THR CA . . . . 399 . TRP H . . . . . . . . . . 51947 4
. 21 . . . -241814405120.000000 . . . 122.928 . 59.945 . 8.324 . . . . . 387 . GLU N . . . . 386 . VAL CA . . . . 387 . GLU H . . . . . . . . . . 51947 4
. 22 . . . -830381000000.000000 . . . 122.944 . 54.206 . 8.325 . . . . . 387 . GLU N . . . . 387 . GLU CA . . . . 387 . GLU H . . . . . . . . . . 51947 4
. 23 . . . -214440443904.000000 . . . 122.885 . 55.377 . 8.426 . . . . . 377 . GLU N . . . . 376 . SER CA . . . . 377 . GLU H . . . . . . . . . . 51947 4
. 24 . . . -1954982920192.000000 . . . 122.883 . 53.761 . 8.410 . . . . . 377 . GLU N . . . . 377 . GLU CA . . . . 377 . GLU H . . . . . . . . . . 51947 4
. 25 . . . -367903703040.000000 . . . 121.847 . 52.008 . 7.950 . . . . . 379 . LEU N . . . . 379 . LEU CA . . . . 379 . LEU H . . . . . . . . . . 51947 4
. 26 . . . -472908234752.000000 . . . 121.861 . 51.400 . 7.949 . . . . . 379 . LEU N . . . . 378 . ASP CA . . . . 379 . LEU H . . . . . . . . . . 51947 4
. 27 . . . -416571981824.000000 . . . 121.886 . 60.028 . 8.077 . . . . . 382 . LEU N . . . . 381 . PRO CA . . . . 382 . LEU H . . . . . . . . . . 51947 4
. 28 . . . -326599573504.000000 . . . 121.878 . 52.042 . 8.076 . . . . . 382 . LEU N . . . . 382 . LEU CA . . . . 382 . LEU H . . . . . . . . . . 51947 4
. 29 . . . -252718661632.000000 . . . 121.481 . 53.300 . 8.086 . . . . . 392 . LYS N . . . . 392 . LYS CA . . . . 392 . LYS H . . . . . . . . . . 51947 4
. 3 . . . -132742864896.000000 . . . 113.744 . 42.263 . 8.185 . . . . . 367 . THR N . . . . 366 . GLY CA . . . . 367 . THR H . . . . . . . . . . 51947 4
. 30 . . . -83085721600.000000 . . . 121.513 . 50.293 . 8.085 . . . . . 392 . LYS N . . . . 391 . ASN CA . . . . 392 . LYS H . . . . . . . . . . 51947 4
. 31 . . . -1187406020608.000000 . . . 121.677 . 53.608 . 8.364 . . . . . 375 . GLU N . . . . 375 . GLU CA . . . . 375 . GLU H . . . . . . . . . . 51947 4
. 32 . . . -90068885504.000000 . . . 121.653 . 52.302 . 8.363 . . . . . 375 . GLU N . . . . 374 . LEU CA . . . . 375 . GLU H . . . . . . . . . . 51947 4
. 33 . . . -119809114112.000000 . . . 121.146 . 58.763 . 8.428 . . . . . 368 . ASN N . . . . 367 . THR CA . . . . 368 . ASN H . . . . . . . . . . 51947 4
. 34 . . . -314574929920.000000 . . . 121.305 . 50.316 . 8.431 . . . . . 368 . ASN N . . . . 368 . ASN CA . . . . 368 . ASN H . . . . . . . . . . 51947 4
. 35 . . . -563054051328.000000 . . . 121.171 . 51.317 . 8.185 . . . . . 385 . ASP N . . . . 385 . ASP CA . . . . 385 . ASP H . . . . . . . . . . 51947 4
. 36 . . . -209265852416.000000 . . . 121.163 . 50.007 . 8.184 . . . . . 385 . ASP N . . . . 384 . ASN CA . . . . 385 . ASP H . . . . . . . . . . 51947 4
. 37 . . . -927459573760.000000 . . . 120.640 . 51.401 . 8.215 . . . . . 378 . ASP N . . . . 378 . ASP CA . . . . 378 . ASP H . . . . . . . . . . 51947 4
. 38 . . . -371192627200.000000 . . . 120.637 . 53.778 . 8.215 . . . . . 378 . ASP N . . . . 377 . GLU CA . . . . 378 . ASP H . . . . . . . . . . 51947 4
. 39 . . . -298659741696.000000 . . . 120.286 . 54.381 . 8.073 . . . . . 383 . PHE N . . . . 383 . PHE CA . . . . 383 . PHE H . . . . . . . . . . 51947 4
. 4 . . . -3866016874496.000000 . . . 113.588 . 58.881 . 7.870 . . . . . 373 . THR N . . . . 373 . THR CA . . . . 373 . THR H . . . . . . . . . . 51947 4
. 40 . . . -256489111552.000000 . . . 120.265 . 52.084 . 8.075 . . . . . 383 . PHE N . . . . 382 . LEU CA . . . . 383 . PHE H . . . . . . . . . . 51947 4
. 41 . . . -519891714048.000000 . . . 120.142 . 59.300 . 8.018 . . . . . 369 . VAL N . . . . 369 . VAL CA . . . . 369 . VAL H . . . . . . . . . . 51947 4
. 42 . . . -280884281344.000000 . . . 120.140 . 50.367 . 8.019 . . . . . 369 . VAL N . . . . 368 . ASN CA . . . . 369 . VAL H . . . . . . . . . . 51947 4
. 43 . . . -617642328064.000000 . . . 119.908 . 59.979 . 7.961 . . . . . 386 . VAL N . . . . 386 . VAL CA . . . . 386 . VAL H . . . . . . . . . . 51947 4
. 44 . . . -381439311872.000000 . . . 119.896 . 51.333 . 7.962 . . . . . 386 . VAL N . . . . 385 . ASP CA . . . . 386 . VAL H . . . . . . . . . . 51947 4
. 45 . . . -265285156864.000000 . . . 119.749 . 52.475 . 7.908 . . . . . 390 . LEU N . . . . 390 . LEU CA . . . . 390 . LEU H . . . . . . . . . . 51947 4
. 46 . . . -290765930496.000000 . . . 119.768 . 49.852 . 7.908 . . . . . 390 . LEU N . . . . 389 . ALA CA . . . . 390 . LEU H . . . . . . . . . . 51947 4
. 47 . . . -152529092608.000000 . . . 119.312 . 54.360 . 8.003 . . . . . 396 . PHE N . . . . 396 . PHE CA . . . . 396 . PHE H . . . . . . . . . . 51947 4
. 48 . . . -228187897856.000000 . . . 119.268 . 60.366 . 8.004 . . . . . 396 . PHE N . . . . 395 . PRO CA . . . . 396 . PHE H . . . . . . . . . . 51947 4
. 49 . . . -2505647849472.000000 . . . 118.680 . 50.259 . 8.141 . . . . . 391 . ASN N . . . . 391 . ASN CA . . . . 391 . ASN H . . . . . . . . . . 51947 4
. 5 . . . -1601292206080.000000 . . . 113.605 . 42.496 . 7.875 . . . . . 373 . THR N . . . . 372 . GLY CA . . . . 373 . THR H . . . . . . . . . . 51947 4
. 50 . . . -5386843193344.000000 . . . 116.064 . 55.383 . 8.153 . . . . . 376 . SER N . . . . 376 . SER CA . . . . 376 . SER H . . . . . . . . . . 51947 4
. 51 . . . -1904161193984.000000 . . . 116.062 . 53.626 . 8.152 . . . . . 376 . SER N . . . . 375 . GLU CA . . . . 376 . SER H . . . . . . . . . . 51947 4
. 52 . . . -3311273508864.000000 . . . 116.173 . 55.828 . 8.118 . . . . . 388 . SER N . . . . 388 . SER CA . . . . 388 . SER H . . . . . . . . . . 51947 4
. 53 . . . -180802797568.000000 . . . 116.164 . 54.191 . 8.120 . . . . . 388 . SER N . . . . 387 . GLU CA . . . . 388 . SER H . . . . . . . . . . 51947 4
. 54 . . . 0.0 . . . 122.767 . 53.776 . 7.864 . . . . . 399 . TRP N . . . . 399 . TRP CA . . . . 399 . TRP H . . . . . . . . . . 51947 4
. 55 . . . -133645877248.000000 . . . 123.472 . 55.352 . 8.194 . . . . . 394 . GLU N . . . . 393 . SER CA . . . . 394 . GLU H . . . . . . . . . . 51947 4
. 56 . . . -496131833856.000000 . . . 120.562 . 50.002 . 8.254 . . . . . 384 . ASN N . . . . 384 . ASN CA . . . . 384 . ASN H . . . . . . . . . . 51947 4
. 6 . . . -2404192354304.000000 . . . 114.039 . 58.713 . 7.738 . . . . . 398 . THR N . . . . 398 . THR CA . . . . 398 . THR H . . . . . . . . . . 51947 4
. 7 . . . -386250735616.000000 . . . 113.987 . 51.943 . 7.737 . . . . . 398 . THR N . . . . 397 . LEU CA . . . . 398 . THR H . . . . . . . . . . 51947 4
. 8 . . . 0.0 . . . 125.379 . 49.878 . 8.125 . . . . . 389 . ALA N . . . . 389 . ALA CA . . . . 389 . ALA H . . . . . . . . . . 51947 4
. 9 . . . -333278707712.000000 . . . 124.457 . 58.856 . 8.165 . . . . . 374 . LEU N . . . . 373 . THR CA . . . . 374 . LEU H . . . . . . . . . . 51947 4
stop_
save_
save_spectral_peak_list_5
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_5
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 5
_Spectral_peak_list.Name 'peak list 5 hnco scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 5
_Spectral_peak_list.Experiment_name '3D HNCO'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . N 15 N* . 'not observed' 2725 Hz . . . . . . 51947 5
2 . . C 13 C* . 'not observed' 3000 Hz . . . . . . 51947 5
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 5
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 5
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 -147851804672.000000 . height 51947 5
2 -677011914752.000000 . height 51947 5
3 -263800504320.000000 . height 51947 5
4 -924537126912.000000 . height 51947 5
5 -994516795392.000000 . height 51947 5
6 -464166256640.000000 . height 51947 5
7 -725932179456.000000 . height 51947 5
8 -699951611904.000000 . height 51947 5
9 -492831637504.000000 . height 51947 5
10 -420972691456.000000 . height 51947 5
11 -705118994432.000000 . height 51947 5
12 -347681947648.000000 . height 51947 5
13 -757426487296.000000 . height 51947 5
14 -628942897152.000000 . height 51947 5
15 -1031792361472.000000 . height 51947 5
16 -172051677184.000000 . height 51947 5
17 -244442660864.000000 . height 51947 5
18 -374618619904.000000 . height 51947 5
19 -1044572930048.000000 . height 51947 5
20 -168734392320.000000 . height 51947 5
21 -356460724224.000000 . height 51947 5
22 -605325885440.000000 . height 51947 5
23 -903898857472.000000 . height 51947 5
24 -846699560960.000000 . height 51947 5
25 -338211700736.000000 . height 51947 5
26 -577577680896.000000 . height 51947 5
27 -799886409728.000000 . height 51947 5
28 -649525985280.000000 . height 51947 5
29 -357606031360.000000 . height 51947 5
30 -346765066240.000000 . height 51947 5
31 -208483352576.000000 . height 51947 5
32 -128066322432.000000 . height 51947 5
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 114.089 . . . . . . . . . . . . . 51947 5
1 2 173.915 . . . . . . . . . . . . . 51947 5
1 3 7.745 . . . . . . . . . . . . . 51947 5
2 1 121.927 . . . . . . . . . . . . . 51947 5
2 2 173.538 . . . . . . . . . . . . . 51947 5
2 3 8.084 . . . . . . . . . . . . . 51947 5
3 1 121.563 . . . . . . . . . . . . . 51947 5
3 2 172.245 . . . . . . . . . . . . . 51947 5
3 3 8.094 . . . . . . . . . . . . . 51947 5
4 1 121.932 . . . . . . . . . . . . . 51947 5
4 2 172.956 . . . . . . . . . . . . . 51947 5
4 3 7.956 . . . . . . . . . . . . . 51947 5
5 1 123.607 . . . . . . . . . . . . . 51947 5
5 2 173.429 . . . . . . . . . . . . . 51947 5
5 3 8.241 . . . . . . . . . . . . . 51947 5
6 1 123.538 . . . . . . . . . . . . . 51947 5
6 2 171.183 . . . . . . . . . . . . . 51947 5
6 3 8.203 . . . . . . . . . . . . . 51947 5
7 1 123.881 . . . . . . . . . . . . . 51947 5
7 2 172.721 . . . . . . . . . . . . . 51947 5
7 3 8.294 . . . . . . . . . . . . . 51947 5
8 1 122.984 . . . . . . . . . . . . . 51947 5
8 2 173.862 . . . . . . . . . . . . . 51947 5
8 3 8.333 . . . . . . . . . . . . . 51947 5
9 1 122.890 . . . . . . . . . . . . . 51947 5
9 2 170.847 . . . . . . . . . . . . . 51947 5
9 3 7.866 . . . . . . . . . . . . . 51947 5
10 1 123.663 . . . . . . . . . . . . . 51947 5
10 2 174.122 . . . . . . . . . . . . . 51947 5
10 3 7.979 . . . . . . . . . . . . . 51947 5
11 1 124.566 . . . . . . . . . . . . . 51947 5
11 2 171.705 . . . . . . . . . . . . . 51947 5
11 3 8.171 . . . . . . . . . . . . . 51947 5
12 1 125.455 . . . . . . . . . . . . . 51947 5
12 2 171.874 . . . . . . . . . . . . . 51947 5
12 3 8.134 . . . . . . . . . . . . . 51947 5
13 1 128.880 . . . . . . . . . . . . . 51947 5
13 2 171.964 . . . . . . . . . . . . . 51947 5
13 3 7.558 . . . . . . . . . . . . . 51947 5
14 1 121.230 . . . . . . . . . . . . . 51947 5
14 2 171.580 . . . . . . . . . . . . . 51947 5
14 3 8.191 . . . . . . . . . . . . . 51947 5
15 1 120.738 . . . . . . . . . . . . . 51947 5
15 2 173.261 . . . . . . . . . . . . . 51947 5
15 3 8.221 . . . . . . . . . . . . . 51947 5
16 1 120.567 . . . . . . . . . . . . . 51947 5
16 2 172.328 . . . . . . . . . . . . . 51947 5
16 3 8.262 . . . . . . . . . . . . . 51947 5
17 1 121.325 . . . . . . . . . . . . . 51947 5
17 2 171.477 . . . . . . . . . . . . . 51947 5
17 3 8.439 . . . . . . . . . . . . . 51947 5
18 1 121.735 . . . . . . . . . . . . . 51947 5
18 2 174.537 . . . . . . . . . . . . . 51947 5
18 3 8.370 . . . . . . . . . . . . . 51947 5
19 1 122.915 . . . . . . . . . . . . . 51947 5
19 2 171.848 . . . . . . . . . . . . . 51947 5
19 3 8.433 . . . . . . . . . . . . . 51947 5
20 1 118.663 . . . . . . . . . . . . . 51947 5
20 2 174.437 . . . . . . . . . . . . . 51947 5
20 3 8.141 . . . . . . . . . . . . . 51947 5
21 1 119.348 . . . . . . . . . . . . . 51947 5
21 2 173.579 . . . . . . . . . . . . . 51947 5
21 3 8.012 . . . . . . . . . . . . . 51947 5
22 1 119.826 . . . . . . . . . . . . . 51947 5
22 2 175.096 . . . . . . . . . . . . . 51947 5
22 3 7.913 . . . . . . . . . . . . . 51947 5
23 1 119.956 . . . . . . . . . . . . . 51947 5
23 2 173.526 . . . . . . . . . . . . . 51947 5
23 3 7.971 . . . . . . . . . . . . . 51947 5
24 1 120.188 . . . . . . . . . . . . . 51947 5
24 2 172.228 . . . . . . . . . . . . . 51947 5
24 3 8.026 . . . . . . . . . . . . . 51947 5
25 1 120.381 . . . . . . . . . . . . . 51947 5
25 2 174.250 . . . . . . . . . . . . . 51947 5
25 3 8.081 . . . . . . . . . . . . . 51947 5
26 1 116.254 . . . . . . . . . . . . . 51947 5
26 2 174.190 . . . . . . . . . . . . . 51947 5
26 3 8.129 . . . . . . . . . . . . . 51947 5
27 1 116.148 . . . . . . . . . . . . . 51947 5
27 2 173.576 . . . . . . . . . . . . . 51947 5
27 3 8.161 . . . . . . . . . . . . . 51947 5
28 1 113.615 . . . . . . . . . . . . . 51947 5
28 2 171.596 . . . . . . . . . . . . . 51947 5
28 3 7.878 . . . . . . . . . . . . . 51947 5
29 1 108.913 . . . . . . . . . . . . . 51947 5
29 2 175.275 . . . . . . . . . . . . . 51947 5
29 3 8.405 . . . . . . . . . . . . . 51947 5
30 1 113.827 . . . . . . . . . . . . . 51947 5
30 2 171.200 . . . . . . . . . . . . . 51947 5
30 3 8.194 . . . . . . . . . . . . . 51947 5
31 1 116.739 . . . . . . . . . . . . . 51947 5
31 2 173.538 . . . . . . . . . . . . . 51947 5
31 3 8.214 . . . . . . . . . . . . . 51947 5
32 1 123.801 . . . . . . . . . . . . . 51947 5
32 2 172.550 . . . . . . . . . . . . . 51947 5
32 3 7.908 . . . . . . . . . . . . . 51947 5
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 114.089 . . . . . . 398 THR N . . . . . . . . . . . . 51947 5
1 2 . . . 173.915 . . . . . . 397 LEU C . . . . . . . . . . . . 51947 5
1 3 . . . 7.745 . . . . . . 398 THR H . . . . . . . . . . . . 51947 5
2 1 . . . 121.927 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 5
2 2 . . . 173.538 . . . . . . 381 PRO C . . . . . . . . . . . . 51947 5
2 3 . . . 8.084 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 5
3 1 . . . 121.563 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 5
3 2 . . . 172.245 . . . . . . 391 ASN C . . . . . . . . . . . . 51947 5
3 3 . . . 8.094 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 5
4 1 . . . 121.932 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 5
4 2 . . . 172.956 . . . . . . 378 ASP C . . . . . . . . . . . . 51947 5
4 3 . . . 7.956 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 5
5 1 . . . 123.607 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 5
5 2 . . . 173.429 . . . . . . 370 ASP C . . . . . . . . . . . . 51947 5
5 3 . . . 8.241 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 5
6 1 . . . 123.538 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 5
6 2 . . . 171.183 . . . . . . 393 SER C . . . . . . . . . . . . 51947 5
6 3 . . . 8.203 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 5
7 1 . . . 123.881 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 5
7 2 . . . 172.721 . . . . . . 369 VAL C . . . . . . . . . . . . 51947 5
7 3 . . . 8.294 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 5
8 1 . . . 122.984 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 5
8 2 . . . 173.862 . . . . . . 386 VAL C . . . . . . . . . . . . 51947 5
8 3 . . . 8.333 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 5
9 1 . . . 122.890 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 5
9 2 . . . 170.847 . . . . . . 398 THR C . . . . . . . . . . . . 51947 5
9 3 . . . 7.866 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 5
10 1 . . . 123.663 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 5
10 2 . . . 174.122 . . . . . . 379 LEU C . . . . . . . . . . . . 51947 5
10 3 . . . 7.979 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 5
11 1 . . . 124.566 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 5
11 2 . . . 171.705 . . . . . . 373 THR C . . . . . . . . . . . . 51947 5
11 3 . . . 8.171 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 5
12 1 . . . 125.455 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 5
12 2 . . . 171.874 . . . . . . 388 SER C . . . . . . . . . . . . 51947 5
12 3 . . . 8.134 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 5
13 1 . . . 128.880 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 5
13 2 . . . 171.964 . . . . . . 399 TRP C . . . . . . . . . . . . 51947 5
13 3 . . . 7.558 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 5
14 1 . . . 121.230 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 5
14 2 . . . 171.580 . . . . . . 384 ASN C . . . . . . . . . . . . 51947 5
14 3 . . . 8.191 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 5
15 1 . . . 120.738 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 5
15 2 . . . 173.261 . . . . . . 377 GLU C . . . . . . . . . . . . 51947 5
15 3 . . . 8.221 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 5
16 1 . . . 120.567 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 5
16 2 . . . 172.328 . . . . . . 383 PHE C . . . . . . . . . . . . 51947 5
16 3 . . . 8.262 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 5
17 1 . . . 121.325 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 5
17 2 . . . 171.477 . . . . . . 367 THR C . . . . . . . . . . . . 51947 5
17 3 . . . 8.439 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 5
18 1 . . . 121.735 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 5
18 2 . . . 174.537 . . . . . . 374 LEU C . . . . . . . . . . . . 51947 5
18 3 . . . 8.370 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 5
19 1 . . . 122.915 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 5
19 2 . . . 171.848 . . . . . . 376 SER C . . . . . . . . . . . . 51947 5
19 3 . . . 8.433 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 5
20 1 . . . 118.663 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 5
20 2 . . . 174.437 . . . . . . 390 LEU C . . . . . . . . . . . . 51947 5
20 3 . . . 8.141 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 5
21 1 . . . 119.348 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 5
21 2 . . . 173.579 . . . . . . 395 PRO C . . . . . . . . . . . . 51947 5
21 3 . . . 8.012 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 5
22 1 . . . 119.826 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 5
22 2 . . . 175.096 . . . . . . 389 ALA C . . . . . . . . . . . . 51947 5
22 3 . . . 7.913 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 5
23 1 . . . 119.956 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 5
23 2 . . . 173.526 . . . . . . 385 ASP C . . . . . . . . . . . . 51947 5
23 3 . . . 7.971 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 5
24 1 . . . 120.188 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 5
24 2 . . . 172.228 . . . . . . 368 ASN C . . . . . . . . . . . . 51947 5
24 3 . . . 8.026 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 5
25 1 . . . 120.381 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 5
25 2 . . . 174.250 . . . . . . 382 LEU C . . . . . . . . . . . . 51947 5
25 3 . . . 8.081 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 5
26 1 . . . 116.254 . . . . . . 388 SER N . . . . . . . . . . . . 51947 5
26 2 . . . 174.190 . . . . . . 387 GLU C . . . . . . . . . . . . 51947 5
26 3 . . . 8.129 . . . . . . 388 SER H . . . . . . . . . . . . 51947 5
27 1 . . . 116.148 . . . . . . 376 SER N . . . . . . . . . . . . 51947 5
27 2 . . . 173.576 . . . . . . 375 GLU C . . . . . . . . . . . . 51947 5
27 3 . . . 8.161 . . . . . . 376 SER H . . . . . . . . . . . . 51947 5
28 1 . . . 113.615 . . . . . . 373 THR N . . . . . . . . . . . . 51947 5
28 2 . . . 171.596 . . . . . . 372 GLY C . . . . . . . . . . . . 51947 5
28 3 . . . 7.878 . . . . . . 373 THR H . . . . . . . . . . . . 51947 5
29 1 . . . 108.913 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 5
29 2 . . . 175.275 . . . . . . 371 LEU C . . . . . . . . . . . . 51947 5
29 3 . . . 8.405 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 5
30 1 . . . 113.827 . . . . . . 367 THR N . . . . . . . . . . . . 51947 5
30 2 . . . 171.200 . . . . . . 366 GLY C . . . . . . . . . . . . 51947 5
30 3 . . . 8.194 . . . . . . 367 THR H . . . . . . . . . . . . 51947 5
31 1 . . . 116.739 . . . . . . 393 SER N . . . . . . . . . . . . 51947 5
31 2 . . . 173.538 . . . . . . 392 LYS C . . . . . . . . . . . . 51947 5
31 3 . . . 8.214 . . . . . . 393 SER H . . . . . . . . . . . . 51947 5
32 1 . . . 123.801 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 5
32 2 . . . 172.550 . . . . . . 396 PHE C . . . . . . . . . . . . 51947 5
32 3 . . . 7.908 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 5
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . -147851804672.000000 . . . 114.089 . 173.915 . 7.745 . . . . . 398 . THR N . . . . 397 . LEU C . . . . 398 . THR H . . . . . . . . . . 51947 5
. 10 . . . -420972691456.000000 . . . 123.663 . 174.122 . 7.979 . . . . . 380 . ILE N . . . . 379 . LEU C . . . . 380 . ILE H . . . . . . . . . . 51947 5
. 11 . . . -705118994432.000000 . . . 124.566 . 171.705 . 8.171 . . . . . 374 . LEU N . . . . 373 . THR C . . . . 374 . LEU H . . . . . . . . . . 51947 5
. 12 . . . -347681947648.000000 . . . 125.455 . 171.874 . 8.134 . . . . . 389 . ALA N . . . . 388 . SER C . . . . 389 . ALA H . . . . . . . . . . 51947 5
. 13 . . . -757426487296.000000 . . . 128.880 . 171.964 . 7.558 . . . . . 400 . LEU N . . . . 399 . TRP C . . . . 400 . LEU H . . . . . . . . . . 51947 5
. 14 . . . -628942897152.000000 . . . 121.230 . 171.580 . 8.191 . . . . . 385 . ASP N . . . . 384 . ASN C . . . . 385 . ASP H . . . . . . . . . . 51947 5
. 15 . . . -1031792361472.000000 . . . 120.738 . 173.261 . 8.221 . . . . . 378 . ASP N . . . . 377 . GLU C . . . . 378 . ASP H . . . . . . . . . . 51947 5
. 16 . . . -172051677184.000000 . . . 120.567 . 172.328 . 8.262 . . . . . 384 . ASN N . . . . 383 . PHE C . . . . 384 . ASN H . . . . . . . . . . 51947 5
. 17 . . . -244442660864.000000 . . . 121.325 . 171.477 . 8.439 . . . . . 368 . ASN N . . . . 367 . THR C . . . . 368 . ASN H . . . . . . . . . . 51947 5
. 18 . . . -374618619904.000000 . . . 121.735 . 174.537 . 8.370 . . . . . 375 . GLU N . . . . 374 . LEU C . . . . 375 . GLU H . . . . . . . . . . 51947 5
. 19 . . . -1044572930048.000000 . . . 122.915 . 171.848 . 8.433 . . . . . 377 . GLU N . . . . 376 . SER C . . . . 377 . GLU H . . . . . . . . . . 51947 5
. 2 . . . -677011914752.000000 . . . 121.927 . 173.538 . 8.084 . . . . . 382 . LEU N . . . . 381 . PRO C . . . . 382 . LEU H . . . . . . . . . . 51947 5
. 20 . . . -168734392320.000000 . . . 118.663 . 174.437 . 8.141 . . . . . 391 . ASN N . . . . 390 . LEU C . . . . 391 . ASN H . . . . . . . . . . 51947 5
. 21 . . . -356460724224.000000 . . . 119.348 . 173.579 . 8.012 . . . . . 396 . PHE N . . . . 395 . PRO C . . . . 396 . PHE H . . . . . . . . . . 51947 5
. 22 . . . -605325885440.000000 . . . 119.826 . 175.096 . 7.913 . . . . . 390 . LEU N . . . . 389 . ALA C . . . . 390 . LEU H . . . . . . . . . . 51947 5
. 23 . . . -903898857472.000000 . . . 119.956 . 173.526 . 7.971 . . . . . 386 . VAL N . . . . 385 . ASP C . . . . 386 . VAL H . . . . . . . . . . 51947 5
. 24 . . . -846699560960.000000 . . . 120.188 . 172.228 . 8.026 . . . . . 369 . VAL N . . . . 368 . ASN C . . . . 369 . VAL H . . . . . . . . . . 51947 5
. 25 . . . -338211700736.000000 . . . 120.381 . 174.250 . 8.081 . . . . . 383 . PHE N . . . . 382 . LEU C . . . . 383 . PHE H . . . . . . . . . . 51947 5
. 26 . . . -577577680896.000000 . . . 116.254 . 174.190 . 8.129 . . . . . 388 . SER N . . . . 387 . GLU C . . . . 388 . SER H . . . . . . . . . . 51947 5
. 27 . . . -799886409728.000000 . . . 116.148 . 173.576 . 8.161 . . . . . 376 . SER N . . . . 375 . GLU C . . . . 376 . SER H . . . . . . . . . . 51947 5
. 28 . . . -649525985280.000000 . . . 113.615 . 171.596 . 7.878 . . . . . 373 . THR N . . . . 372 . GLY C . . . . 373 . THR H . . . . . . . . . . 51947 5
. 29 . . . -357606031360.000000 . . . 108.913 . 175.275 . 8.405 . . . . . 372 . GLY N . . . . 371 . LEU C . . . . 372 . GLY H . . . . . . . . . . 51947 5
. 3 . . . -263800504320.000000 . . . 121.563 . 172.245 . 8.094 . . . . . 392 . LYS N . . . . 391 . ASN C . . . . 392 . LYS H . . . . . . . . . . 51947 5
. 30 . . . -346765066240.000000 . . . 113.827 . 171.200 . 8.194 . . . . . 367 . THR N . . . . 366 . GLY C . . . . 367 . THR H . . . . . . . . . . 51947 5
. 31 . . . -208483352576.000000 . . . 116.739 . 173.538 . 8.214 . . . . . 393 . SER N . . . . 392 . LYS C . . . . 393 . SER H . . . . . . . . . . 51947 5
. 32 . . . -128066322432.000000 . . . 123.801 . 172.550 . 7.908 . . . . . 397 . LEU N . . . . 396 . PHE C . . . . 397 . LEU H . . . . . . . . . . 51947 5
. 4 . . . -924537126912.000000 . . . 121.932 . 172.956 . 7.956 . . . . . 379 . LEU N . . . . 378 . ASP C . . . . 379 . LEU H . . . . . . . . . . 51947 5
. 5 . . . -994516795392.000000 . . . 123.607 . 173.429 . 8.241 . . . . . 371 . LEU N . . . . 370 . ASP C . . . . 371 . LEU H . . . . . . . . . . 51947 5
. 6 . . . -464166256640.000000 . . . 123.538 . 171.183 . 8.203 . . . . . 394 . GLU N . . . . 393 . SER C . . . . 394 . GLU H . . . . . . . . . . 51947 5
. 7 . . . -725932179456.000000 . . . 123.881 . 172.721 . 8.294 . . . . . 370 . ASP N . . . . 369 . VAL C . . . . 370 . ASP H . . . . . . . . . . 51947 5
. 8 . . . -699951611904.000000 . . . 122.984 . 173.862 . 8.333 . . . . . 387 . GLU N . . . . 386 . VAL C . . . . 387 . GLU H . . . . . . . . . . 51947 5
. 9 . . . -492831637504.000000 . . . 122.890 . 170.847 . 7.866 . . . . . 399 . TRP N . . . . 398 . THR C . . . . 399 . TRP H . . . . . . . . . . 51947 5
stop_
save_
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 6
_Spectral_peak_list.Name 'peak list 6 hbhaconh scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D HBHA(CO)NH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H* . 'not observed' 3000 Hz . . . . . . 51947 6
2 . . N 15 N* . 'not observed' 2682 Hz . . . . . . 51947 6
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 6
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 6
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 -320080773120.000000 . height 51947 6
2 -179923910656.000000 . height 51947 6
3 -325289181184.000000 . height 51947 6
4 -347536490496.000000 . height 51947 6
5 -1233185800192.000000 . height 51947 6
6 -369448747008.000000 . height 51947 6
7 -424414216192.000000 . height 51947 6
8 -520163164160.000000 . height 51947 6
9 -607405998080.000000 . height 51947 6
10 -270904950784.000000 . height 51947 6
11 -569595527168.000000 . height 51947 6
12 -542910709760.000000 . height 51947 6
13 -540039315456.000000 . height 51947 6
14 -604203057152.000000 . height 51947 6
15 -1472830898176.000000 . height 51947 6
16 -345213239296.000000 . height 51947 6
17 -473793822720.000000 . height 51947 6
18 -345831374848.000000 . height 51947 6
19 -146749554688.000000 . height 51947 6
20 -685594312704.000000 . height 51947 6
21 -273360142336.000000 . height 51947 6
22 -336173662208.000000 . height 51947 6
23 -593876221952.000000 . height 51947 6
24 -479658180608.000000 . height 51947 6
25 -822374694912.000000 . height 51947 6
26 -322947186688.000000 . height 51947 6
27 -265239052288.000000 . height 51947 6
28 -426626908160.000000 . height 51947 6
29 -411489533952.000000 . height 51947 6
30 -447420956672.000000 . height 51947 6
31 -268527304704.000000 . height 51947 6
32 -74038607872.000000 . height 51947 6
33 -518619660288.000000 . height 51947 6
34 -143180234752.000000 . height 51947 6
35 -166279544832.000000 . height 51947 6
36 -328857452544.000000 . height 51947 6
37 -94391304192.000000 . height 51947 6
38 -127574335488.000000 . height 51947 6
39 -209749704704.000000 . height 51947 6
40 -126820253696.000000 . height 51947 6
41 -116130881536.000000 . height 51947 6
42 -475474296832.000000 . height 51947 6
43 -119286636544.000000 . height 51947 6
44 -231716962304.000000 . height 51947 6
45 -534835429376.000000 . height 51947 6
46 -470157426688.000000 . height 51947 6
47 -461761544192.000000 . height 51947 6
48 -509867196416.000000 . height 51947 6
49 -533926510592.000000 . height 51947 6
50 -204692258816.000000 . height 51947 6
51 -577111195648.000000 . height 51947 6
52 -217923780608.000000 . height 51947 6
53 -3211420499968.000000 . height 51947 6
54 -3734795976704.000000 . height 51947 6
55 -192791822336.000000 . height 51947 6
56 -223925600256.000000 . height 51947 6
57 -217097060352.000000 . height 51947 6
58 -184725766144.000000 . height 51947 6
59 -233687908352.000000 . height 51947 6
60 -327639367680.000000 . height 51947 6
61 -98929623040.000000 . height 51947 6
62 -122696663040.000000 . height 51947 6
63 -142759985152.000000 . height 51947 6
64 -46619467776.000000 . height 51947 6
65 -42938068992.000000 . height 51947 6
66 -273202249728.000000 . height 51947 6
67 -309175255040.000000 . height 51947 6
68 -2591464095744.000000 . height 51947 6
69 -245767749632.000000 . height 51947 6
70 -254971985920.000000 . height 51947 6
71 -565931868160.000000 . height 51947 6
72 -527422816256.000000 . height 51947 6
73 -106086834176.000000 . height 51947 6
74 -112396115968.000000 . height 51947 6
75 -142361952256.000000 . height 51947 6
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 4.201 . . . . . . . . . . . . . 51947 6
1 2 108.875 . . . . . . . . . . . . . 51947 6
1 3 8.400 . . . . . . . . . . . . . 51947 6
2 1 1.564 . . . . . . . . . . . . . 51947 6
2 2 108.870 . . . . . . . . . . . . . 51947 6
2 3 8.400 . . . . . . . . . . . . . 51947 6
3 1 4.269 . . . . . . . . . . . . . 51947 6
3 2 125.411 . . . . . . . . . . . . . 51947 6
3 3 8.128 . . . . . . . . . . . . . 51947 6
4 1 3.781 . . . . . . . . . . . . . 51947 6
4 2 125.439 . . . . . . . . . . . . . 51947 6
4 3 8.129 . . . . . . . . . . . . . 51947 6
5 1 3.988 . . . . . . . . . . . . . 51947 6
5 2 113.820 . . . . . . . . . . . . . 51947 6
5 3 8.186 . . . . . . . . . . . . . 51947 6
6 1 4.279 . . . . . . . . . . . . . 51947 6
6 2 121.386 . . . . . . . . . . . . . 51947 6
6 3 8.433 . . . . . . . . . . . . . 51947 6
7 1 4.136 . . . . . . . . . . . . . 51947 6
7 2 121.388 . . . . . . . . . . . . . 51947 6
7 3 8.434 . . . . . . . . . . . . . 51947 6
8 1 4.644 . . . . . . . . . . . . . 51947 6
8 2 120.182 . . . . . . . . . . . . . 51947 6
8 3 8.021 . . . . . . . . . . . . . 51947 6
9 1 4.000 . . . . . . . . . . . . . 51947 6
9 2 123.843 . . . . . . . . . . . . . 51947 6
9 3 8.289 . . . . . . . . . . . . . 51947 6
10 1 1.973 . . . . . . . . . . . . . 51947 6
10 2 123.835 . . . . . . . . . . . . . 51947 6
10 3 8.289 . . . . . . . . . . . . . 51947 6
11 1 2.645 . . . . . . . . . . . . . 51947 6
11 2 123.567 . . . . . . . . . . . . . 51947 6
11 3 8.236 . . . . . . . . . . . . . 51947 6
12 1 2.500 . . . . . . . . . . . . . 51947 6
12 2 123.550 . . . . . . . . . . . . . 51947 6
12 3 8.236 . . . . . . . . . . . . . 51947 6
13 1 3.754 . . . . . . . . . . . . . 51947 6
13 2 123.516 . . . . . . . . . . . . . 51947 6
13 3 8.201 . . . . . . . . . . . . . 51947 6
14 1 4.527 . . . . . . . . . . . . . 51947 6
14 2 123.573 . . . . . . . . . . . . . 51947 6
14 3 8.236 . . . . . . . . . . . . . 51947 6
15 1 3.875 . . . . . . . . . . . . . 51947 6
15 2 113.614 . . . . . . . . . . . . . 51947 6
15 3 7.873 . . . . . . . . . . . . . 51947 6
16 1 4.234 . . . . . . . . . . . . . 51947 6
16 2 124.502 . . . . . . . . . . . . . 51947 6
16 3 8.167 . . . . . . . . . . . . . 51947 6
17 1 4.130 . . . . . . . . . . . . . 51947 6
17 2 124.485 . . . . . . . . . . . . . 51947 6
17 3 8.168 . . . . . . . . . . . . . 51947 6
18 1 4.278 . . . . . . . . . . . . . 51947 6
18 2 121.711 . . . . . . . . . . . . . 51947 6
18 3 8.365 . . . . . . . . . . . . . 51947 6
19 1 1.532 . . . . . . . . . . . . . 51947 6
19 2 121.713 . . . . . . . . . . . . . 51947 6
19 3 8.365 . . . . . . . . . . . . . 51947 6
20 1 4.209 . . . . . . . . . . . . . 51947 6
20 2 116.145 . . . . . . . . . . . . . 51947 6
20 3 8.156 . . . . . . . . . . . . . 51947 6
21 1 1.968 . . . . . . . . . . . . . 51947 6
21 2 116.153 . . . . . . . . . . . . . 51947 6
21 3 8.154 . . . . . . . . . . . . . 51947 6
22 1 1.844 . . . . . . . . . . . . . 51947 6
22 2 116.179 . . . . . . . . . . . . . 51947 6
22 3 8.156 . . . . . . . . . . . . . 51947 6
23 1 3.749 . . . . . . . . . . . . . 51947 6
23 2 122.873 . . . . . . . . . . . . . 51947 6
23 3 8.428 . . . . . . . . . . . . . 51947 6
24 1 4.330 . . . . . . . . . . . . . 51947 6
24 2 122.858 . . . . . . . . . . . . . 51947 6
24 3 8.428 . . . . . . . . . . . . . 51947 6
25 1 4.189 . . . . . . . . . . . . . 51947 6
25 2 120.688 . . . . . . . . . . . . . 51947 6
25 3 8.217 . . . . . . . . . . . . . 51947 6
26 1 1.839 . . . . . . . . . . . . . 51947 6
26 2 120.710 . . . . . . . . . . . . . 51947 6
26 3 8.217 . . . . . . . . . . . . . 51947 6
27 1 1.973 . . . . . . . . . . . . . 51947 6
27 2 120.709 . . . . . . . . . . . . . 51947 6
27 3 8.215 . . . . . . . . . . . . . 51947 6
28 1 2.574 . . . . . . . . . . . . . 51947 6
28 2 121.921 . . . . . . . . . . . . . 51947 6
28 3 7.950 . . . . . . . . . . . . . 51947 6
29 1 2.456 . . . . . . . . . . . . . 51947 6
29 2 121.920 . . . . . . . . . . . . . 51947 6
29 3 7.950 . . . . . . . . . . . . . 51947 6
30 1 4.471 . . . . . . . . . . . . . 51947 6
30 2 121.930 . . . . . . . . . . . . . 51947 6
30 3 7.951 . . . . . . . . . . . . . 51947 6
31 1 4.223 . . . . . . . . . . . . . 51947 6
31 2 123.651 . . . . . . . . . . . . . 51947 6
31 3 7.972 . . . . . . . . . . . . . 51947 6
32 1 1.456 . . . . . . . . . . . . . 51947 6
32 2 123.634 . . . . . . . . . . . . . 51947 6
32 3 7.976 . . . . . . . . . . . . . 51947 6
33 1 4.250 . . . . . . . . . . . . . 51947 6
33 2 121.928 . . . . . . . . . . . . . 51947 6
33 3 8.079 . . . . . . . . . . . . . 51947 6
34 1 2.092 . . . . . . . . . . . . . 51947 6
34 2 121.982 . . . . . . . . . . . . . 51947 6
34 3 8.078 . . . . . . . . . . . . . 51947 6
35 1 1.659 . . . . . . . . . . . . . 51947 6
35 2 121.921 . . . . . . . . . . . . . 51947 6
35 3 8.078 . . . . . . . . . . . . . 51947 6
36 1 4.155 . . . . . . . . . . . . . 51947 6
36 2 120.310 . . . . . . . . . . . . . 51947 6
36 3 8.077 . . . . . . . . . . . . . 51947 6
37 1 1.440 . . . . . . . . . . . . . 51947 6
37 2 120.318 . . . . . . . . . . . . . 51947 6
37 3 8.076 . . . . . . . . . . . . . 51947 6
38 1 1.324 . . . . . . . . . . . . . 51947 6
38 2 120.271 . . . . . . . . . . . . . 51947 6
38 3 8.077 . . . . . . . . . . . . . 51947 6
39 1 4.529 . . . . . . . . . . . . . 51947 6
39 2 120.587 . . . . . . . . . . . . . 51947 6
39 3 8.256 . . . . . . . . . . . . . 51947 6
40 1 3.035 . . . . . . . . . . . . . 51947 6
40 2 120.602 . . . . . . . . . . . . . 51947 6
40 3 8.257 . . . . . . . . . . . . . 51947 6
41 1 2.915 . . . . . . . . . . . . . 51947 6
41 2 120.588 . . . . . . . . . . . . . 51947 6
41 3 8.254 . . . . . . . . . . . . . 51947 6
42 1 4.568 . . . . . . . . . . . . . 51947 6
42 2 121.215 . . . . . . . . . . . . . 51947 6
42 3 8.187 . . . . . . . . . . . . . 51947 6
43 1 2.961 . . . . . . . . . . . . . 51947 6
43 2 123.771 . . . . . . . . . . . . . 51947 6
43 3 7.903 . . . . . . . . . . . . . 51947 6
44 1 4.357 . . . . . . . . . . . . . 51947 6
44 2 123.496 . . . . . . . . . . . . . 51947 6
44 3 8.200 . . . . . . . . . . . . . 51947 6
45 1 2.622 . . . . . . . . . . . . . 51947 6
45 2 121.197 . . . . . . . . . . . . . 51947 6
45 3 8.185 . . . . . . . . . . . . . 51947 6
46 1 2.533 . . . . . . . . . . . . . 51947 6
46 2 119.933 . . . . . . . . . . . . . 51947 6
46 3 7.965 . . . . . . . . . . . . . 51947 6
47 1 2.612 . . . . . . . . . . . . . 51947 6
47 2 119.942 . . . . . . . . . . . . . 51947 6
47 3 7.966 . . . . . . . . . . . . . 51947 6
48 1 4.474 . . . . . . . . . . . . . 51947 6
48 2 119.933 . . . . . . . . . . . . . 51947 6
48 3 7.965 . . . . . . . . . . . . . 51947 6
49 1 3.953 . . . . . . . . . . . . . 51947 6
49 2 122.986 . . . . . . . . . . . . . 51947 6
49 3 8.328 . . . . . . . . . . . . . 51947 6
50 1 2.026 . . . . . . . . . . . . . 51947 6
50 2 122.979 . . . . . . . . . . . . . 51947 6
50 3 8.328 . . . . . . . . . . . . . 51947 6
51 1 4.133 . . . . . . . . . . . . . 51947 6
51 2 116.218 . . . . . . . . . . . . . 51947 6
51 3 8.124 . . . . . . . . . . . . . 51947 6
52 1 1.932 . . . . . . . . . . . . . 51947 6
52 2 116.231 . . . . . . . . . . . . . 51947 6
52 3 8.123 . . . . . . . . . . . . . 51947 6
53 1 4.197 . . . . . . . . . . . . . 51947 6
53 2 119.776 . . . . . . . . . . . . . 51947 6
53 3 7.911 . . . . . . . . . . . . . 51947 6
54 1 1.302 . . . . . . . . . . . . . 51947 6
54 2 119.795 . . . . . . . . . . . . . 51947 6
54 3 7.912 . . . . . . . . . . . . . 51947 6
55 1 4.159 . . . . . . . . . . . . . 51947 6
55 2 118.575 . . . . . . . . . . . . . 51947 6
55 3 8.134 . . . . . . . . . . . . . 51947 6
56 1 2.737 . . . . . . . . . . . . . 51947 6
56 2 121.528 . . . . . . . . . . . . . 51947 6
56 3 8.087 . . . . . . . . . . . . . 51947 6
57 1 2.645 . . . . . . . . . . . . . 51947 6
57 2 121.547 . . . . . . . . . . . . . 51947 6
57 3 8.088 . . . . . . . . . . . . . 51947 6
58 1 4.570 . . . . . . . . . . . . . 51947 6
58 2 121.540 . . . . . . . . . . . . . 51947 6
58 3 8.089 . . . . . . . . . . . . . 51947 6
59 1 4.239 . . . . . . . . . . . . . 51947 6
59 2 116.703 . . . . . . . . . . . . . 51947 6
59 3 8.210 . . . . . . . . . . . . . 51947 6
60 1 4.237 . . . . . . . . . . . . . 51947 6
60 2 119.294 . . . . . . . . . . . . . 51947 6
60 3 8.008 . . . . . . . . . . . . . 51947 6
61 1 2.075 . . . . . . . . . . . . . 51947 6
61 2 119.324 . . . . . . . . . . . . . 51947 6
61 3 8.005 . . . . . . . . . . . . . 51947 6
62 1 1.640 . . . . . . . . . . . . . 51947 6
62 2 119.408 . . . . . . . . . . . . . 51947 6
62 3 8.007 . . . . . . . . . . . . . 51947 6
63 1 4.170 . . . . . . . . . . . . . 51947 6
63 2 114.036 . . . . . . . . . . . . . 51947 6
63 3 7.740 . . . . . . . . . . . . . 51947 6
64 1 1.394 . . . . . . . . . . . . . 51947 6
64 2 114.050 . . . . . . . . . . . . . 51947 6
64 3 7.740 . . . . . . . . . . . . . 51947 6
65 1 1.192 . . . . . . . . . . . . . 51947 6
65 2 114.059 . . . . . . . . . . . . . 51947 6
65 3 7.741 . . . . . . . . . . . . . 51947 6
66 1 4.102 . . . . . . . . . . . . . 51947 6
66 2 122.829 . . . . . . . . . . . . . 51947 6
66 3 7.862 . . . . . . . . . . . . . 51947 6
67 1 3.998 . . . . . . . . . . . . . 51947 6
67 2 122.805 . . . . . . . . . . . . . 51947 6
67 3 7.860 . . . . . . . . . . . . . 51947 6
68 1 4.660 . . . . . . . . . . . . . 51947 6
68 2 128.878 . . . . . . . . . . . . . 51947 6
68 3 7.551 . . . . . . . . . . . . . 51947 6
69 1 3.238 . . . . . . . . . . . . . 51947 6
69 2 128.858 . . . . . . . . . . . . . 51947 6
69 3 7.552 . . . . . . . . . . . . . 51947 6
70 1 3.134 . . . . . . . . . . . . . 51947 6
70 2 128.854 . . . . . . . . . . . . . 51947 6
70 3 7.553 . . . . . . . . . . . . . 51947 6
71 1 2.734 . . . . . . . . . . . . . 51947 6
71 2 120.182 . . . . . . . . . . . . . 51947 6
71 3 8.022 . . . . . . . . . . . . . 51947 6
72 1 2.665 . . . . . . . . . . . . . 51947 6
72 2 120.182 . . . . . . . . . . . . . 51947 6
72 3 8.021 . . . . . . . . . . . . . 51947 6
73 1 1.542 . . . . . . . . . . . . . 51947 6
73 2 118.715 . . . . . . . . . . . . . 51947 6
73 3 8.131 . . . . . . . . . . . . . 51947 6
74 1 1.780 . . . . . . . . . . . . . 51947 6
74 2 116.656 . . . . . . . . . . . . . 51947 6
74 3 8.214 . . . . . . . . . . . . . 51947 6
75 1 4.452 . . . . . . . . . . . . . 51947 6
75 2 123.747 . . . . . . . . . . . . . 51947 6
75 3 7.902 . . . . . . . . . . . . . 51947 6
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 4.201 . . . . . . 371 LEU HA . . . . . . . . . . . . 51947 6
1 2 . . . 108.875 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 6
1 3 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 6
2 1 . . . 1.564 . . . . . . 371 LEU HB2 . . . . . . . . . . . . 51947 6
2 2 . . . 108.870 . . . . . . 372 GLY N . . . . . . . . . . . . 51947 6
2 3 . . . 8.400 . . . . . . 372 GLY H . . . . . . . . . . . . 51947 6
3 1 . . . 4.269 . . . . . . 388 SER HA . . . . . . . . . . . . 51947 6
3 2 . . . 125.411 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 6
3 3 . . . 8.128 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 6
4 1 . . . 3.781 . . . . . . 388 SER HB3 . . . . . . . . . . . . 51947 6
4 2 . . . 125.439 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 6
4 3 . . . 8.129 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 6
5 1 . . . 3.988 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 6
5 2 . . . 113.820 . . . . . . 367 THR N . . . . . . . . . . . . 51947 6
5 3 . . . 8.186 . . . . . . 367 THR H . . . . . . . . . . . . 51947 6
6 1 . . . 4.279 . . . . . . 367 THR HA . . . . . . . . . . . . 51947 6
6 2 . . . 121.386 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 6
6 3 . . . 8.433 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 6
7 1 . . . 4.136 . . . . . . 367 THR HB . . . . . . . . . . . . 51947 6
7 2 . . . 121.388 . . . . . . 368 ASN N . . . . . . . . . . . . 51947 6
7 3 . . . 8.434 . . . . . . 368 ASN H . . . . . . . . . . . . 51947 6
8 1 . . . 4.644 . . . . . . 368 ASN HA . . . . . . . . . . . . 51947 6
8 2 . . . 120.182 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 6
8 3 . . . 8.021 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 6
9 1 . . . 4.000 . . . . . . 369 VAL HA . . . . . . . . . . . . 51947 6
9 2 . . . 123.843 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 6
9 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 6
10 1 . . . 1.973 . . . . . . 369 VAL HB . . . . . . . . . . . . 51947 6
10 2 . . . 123.835 . . . . . . 370 ASP N . . . . . . . . . . . . 51947 6
10 3 . . . 8.289 . . . . . . 370 ASP H . . . . . . . . . . . . 51947 6
11 1 . . . 2.645 . . . . . . 370 ASP HB2 . . . . . . . . . . . . 51947 6
11 2 . . . 123.567 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 6
11 3 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 6
12 1 . . . 2.500 . . . . . . 370 ASP HB3 . . . . . . . . . . . . 51947 6
12 2 . . . 123.550 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 6
12 3 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 6
13 1 . . . 3.754 . . . . . . 393 SER HB3 . . . . . . . . . . . . 51947 6
13 2 . . . 123.516 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 6
13 3 . . . 8.201 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 6
14 1 . . . 4.527 . . . . . . 370 ASP HA . . . . . . . . . . . . 51947 6
14 2 . . . 123.573 . . . . . . 371 LEU N . . . . . . . . . . . . 51947 6
14 3 . . . 8.236 . . . . . . 371 LEU H . . . . . . . . . . . . 51947 6
15 1 . . . 3.875 . . . . . . 372 GLY HA3 . . . . . . . . . . . . 51947 6
15 2 . . . 113.614 . . . . . . 373 THR N . . . . . . . . . . . . 51947 6
15 3 . . . 7.873 . . . . . . 373 THR H . . . . . . . . . . . . 51947 6
16 1 . . . 4.234 . . . . . . 373 THR HA . . . . . . . . . . . . 51947 6
16 2 . . . 124.502 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 6
16 3 . . . 8.167 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 6
17 1 . . . 4.130 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 6
17 2 . . . 124.485 . . . . . . 374 LEU N . . . . . . . . . . . . 51947 6
17 3 . . . 8.168 . . . . . . 374 LEU H . . . . . . . . . . . . 51947 6
18 1 . . . 4.278 . . . . . . 374 LEU HA . . . . . . . . . . . . 51947 6
18 2 . . . 121.711 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 6
18 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 6
19 1 . . . 1.532 . . . . . . 374 LEU HB2 . . . . . . . . . . . . 51947 6
19 2 . . . 121.713 . . . . . . 375 GLU N . . . . . . . . . . . . 51947 6
19 3 . . . 8.365 . . . . . . 375 GLU H . . . . . . . . . . . . 51947 6
20 1 . . . 4.209 . . . . . . 375 GLU HA . . . . . . . . . . . . 51947 6
20 2 . . . 116.145 . . . . . . 376 SER N . . . . . . . . . . . . 51947 6
20 3 . . . 8.156 . . . . . . 376 SER H . . . . . . . . . . . . 51947 6
21 1 . . . 1.968 . . . . . . 375 GLU HB2 . . . . . . . . . . . . 51947 6
21 2 . . . 116.153 . . . . . . 376 SER N . . . . . . . . . . . . 51947 6
21 3 . . . 8.154 . . . . . . 376 SER H . . . . . . . . . . . . 51947 6
22 1 . . . 1.844 . . . . . . 375 GLU HB3 . . . . . . . . . . . . 51947 6
22 2 . . . 116.179 . . . . . . 376 SER N . . . . . . . . . . . . 51947 6
22 3 . . . 8.156 . . . . . . 376 SER H . . . . . . . . . . . . 51947 6
23 1 . . . 3.749 . . . . . . 376 SER HB3 . . . . . . . . . . . . 51947 6
23 2 . . . 122.873 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 6
23 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 6
24 1 . . . 4.330 . . . . . . 376 SER HA . . . . . . . . . . . . 51947 6
24 2 . . . 122.858 . . . . . . 377 GLU N . . . . . . . . . . . . 51947 6
24 3 . . . 8.428 . . . . . . 377 GLU H . . . . . . . . . . . . 51947 6
25 1 . . . 4.189 . . . . . . 377 GLU HA . . . . . . . . . . . . 51947 6
25 2 . . . 120.688 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 6
25 3 . . . 8.217 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 6
26 1 . . . 1.839 . . . . . . 377 GLU HB3 . . . . . . . . . . . . 51947 6
26 2 . . . 120.710 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 6
26 3 . . . 8.217 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 6
27 1 . . . 1.973 . . . . . . 377 GLU HB2 . . . . . . . . . . . . 51947 6
27 2 . . . 120.709 . . . . . . 378 ASP N . . . . . . . . . . . . 51947 6
27 3 . . . 8.215 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 6
28 1 . . . 2.574 . . . . . . 378 ASP HB2 . . . . . . . . . . . . 51947 6
28 2 . . . 121.921 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 6
28 3 . . . 7.950 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 6
29 1 . . . 2.456 . . . . . . 378 ASP HB3 . . . . . . . . . . . . 51947 6
29 2 . . . 121.920 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 6
29 3 . . . 7.950 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 6
30 1 . . . 4.471 . . . . . . 378 ASP HA . . . . . . . . . . . . 51947 6
30 2 . . . 121.930 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 6
30 3 . . . 7.951 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 6
31 1 . . . 4.223 . . . . . . 379 LEU HA . . . . . . . . . . . . 51947 6
31 2 . . . 123.651 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 6
31 3 . . . 7.972 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 6
32 1 . . . 1.456 . . . . . . 379 LEU HB2 . . . . . . . . . . . . 51947 6
32 2 . . . 123.634 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 6
32 3 . . . 7.976 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 6
33 1 . . . 4.250 . . . . . . 381 PRO HA . . . . . . . . . . . . 51947 6
33 2 . . . 121.928 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 6
33 3 . . . 8.079 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 6
34 1 . . . 2.092 . . . . . . 381 PRO HB2 . . . . . . . . . . . . 51947 6
34 2 . . . 121.982 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 6
34 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 6
35 1 . . . 1.659 . . . . . . 381 PRO HB3 . . . . . . . . . . . . 51947 6
35 2 . . . 121.921 . . . . . . 382 LEU N . . . . . . . . . . . . 51947 6
35 3 . . . 8.078 . . . . . . 382 LEU H . . . . . . . . . . . . 51947 6
36 1 . . . 4.155 . . . . . . 382 LEU HA . . . . . . . . . . . . 51947 6
36 2 . . . 120.310 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 6
36 3 . . . 8.077 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 6
37 1 . . . 1.440 . . . . . . 382 LEU HB2 . . . . . . . . . . . . 51947 6
37 2 . . . 120.318 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 6
37 3 . . . 8.076 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 6
38 1 . . . 1.324 . . . . . . 382 LEU HB3 . . . . . . . . . . . . 51947 6
38 2 . . . 120.271 . . . . . . 383 PHE N . . . . . . . . . . . . 51947 6
38 3 . . . 8.077 . . . . . . 383 PHE H . . . . . . . . . . . . 51947 6
39 1 . . . 4.529 . . . . . . 383 PHE HA . . . . . . . . . . . . 51947 6
39 2 . . . 120.587 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 6
39 3 . . . 8.256 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 6
40 1 . . . 3.035 . . . . . . 383 PHE HB2 . . . . . . . . . . . . 51947 6
40 2 . . . 120.602 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 6
40 3 . . . 8.257 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 6
41 1 . . . 2.915 . . . . . . 383 PHE HB3 . . . . . . . . . . . . 51947 6
41 2 . . . 120.588 . . . . . . 384 ASN N . . . . . . . . . . . . 51947 6
41 3 . . . 8.254 . . . . . . 384 ASN H . . . . . . . . . . . . 51947 6
42 1 . . . 4.568 . . . . . . 384 ASN HA . . . . . . . . . . . . 51947 6
42 2 . . . 121.215 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 6
42 3 . . . 8.187 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 6
43 1 . . . 2.961 . . . . . . 396 PHE HB3 . . . . . . . . . . . . 51947 6
43 2 . . . 123.771 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 6
43 3 . . . 7.903 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 6
44 1 . . . 4.357 . . . . . . 393 SER HA . . . . . . . . . . . . 51947 6
44 2 . . . 123.496 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 6
44 3 . . . 8.200 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 6
45 1 . . . 2.622 . . . . . . 384 ASN HB3 . . . . . . . . . . . . 51947 6
45 2 . . . 121.197 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 6
45 3 . . . 8.185 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 6
46 1 . . . 2.533 . . . . . . 385 ASP HB3 . . . . . . . . . . . . 51947 6
46 2 . . . 119.933 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 6
46 3 . . . 7.965 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 6
47 1 . . . 2.612 . . . . . . 385 ASP HB2 . . . . . . . . . . . . 51947 6
47 2 . . . 119.942 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 6
47 3 . . . 7.966 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 6
48 1 . . . 4.474 . . . . . . 385 ASP HA . . . . . . . . . . . . 51947 6
48 2 . . . 119.933 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 6
48 3 . . . 7.965 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 6
49 1 . . . 3.953 . . . . . . 386 VAL HA . . . . . . . . . . . . 51947 6
49 2 . . . 122.986 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 6
49 3 . . . 8.328 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 6
50 1 . . . 2.026 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 6
50 2 . . . 122.979 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 6
50 3 . . . 8.328 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 6
51 1 . . . 4.133 . . . . . . 387 GLU HA . . . . . . . . . . . . 51947 6
51 2 . . . 116.218 . . . . . . 388 SER N . . . . . . . . . . . . 51947 6
51 3 . . . 8.124 . . . . . . 388 SER H . . . . . . . . . . . . 51947 6
52 1 . . . 1.932 . . . . . . 387 GLU HB3 . . . . . . . . . . . . 51947 6
52 2 . . . 116.231 . . . . . . 388 SER N . . . . . . . . . . . . 51947 6
52 3 . . . 8.123 . . . . . . 388 SER H . . . . . . . . . . . . 51947 6
53 1 . . . 4.197 . . . . . . 389 ALA HA . . . . . . . . . . . . 51947 6
53 2 . . . 119.776 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 6
53 3 . . . 7.911 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 6
54 1 . . . 1.302 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 6
54 2 . . . 119.795 . . . . . . 390 LEU N . . . . . . . . . . . . 51947 6
54 3 . . . 7.912 . . . . . . 390 LEU H . . . . . . . . . . . . 51947 6
55 1 . . . 4.159 . . . . . . 390 LEU HA . . . . . . . . . . . . 51947 6
55 2 . . . 118.575 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 6
55 3 . . . 8.134 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 6
56 1 . . . 2.737 . . . . . . 391 ASN HB2 . . . . . . . . . . . . 51947 6
56 2 . . . 121.528 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 6
56 3 . . . 8.087 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 6
57 1 . . . 2.645 . . . . . . 391 ASN HB3 . . . . . . . . . . . . 51947 6
57 2 . . . 121.547 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 6
57 3 . . . 8.088 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 6
58 1 . . . 4.570 . . . . . . 391 ASN HA . . . . . . . . . . . . 51947 6
58 2 . . . 121.540 . . . . . . 392 LYS N . . . . . . . . . . . . 51947 6
58 3 . . . 8.089 . . . . . . 392 LYS H . . . . . . . . . . . . 51947 6
59 1 . . . 4.239 . . . . . . 392 LYS HA . . . . . . . . . . . . 51947 6
59 2 . . . 116.703 . . . . . . 393 SER N . . . . . . . . . . . . 51947 6
59 3 . . . 8.210 . . . . . . 393 SER H . . . . . . . . . . . . 51947 6
60 1 . . . 4.237 . . . . . . 395 PRO HA . . . . . . . . . . . . 51947 6
60 2 . . . 119.294 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 6
60 3 . . . 8.008 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 6
61 1 . . . 2.075 . . . . . . 395 PRO HB2 . . . . . . . . . . . . 51947 6
61 2 . . . 119.324 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 6
61 3 . . . 8.005 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 6
62 1 . . . 1.640 . . . . . . 395 PRO HB3 . . . . . . . . . . . . 51947 6
62 2 . . . 119.408 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 6
62 3 . . . 8.007 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 6
63 1 . . . 4.170 . . . . . . 397 LEU HA . . . . . . . . . . . . 51947 6
63 2 . . . 114.036 . . . . . . 398 THR N . . . . . . . . . . . . 51947 6
63 3 . . . 7.740 . . . . . . 398 THR H . . . . . . . . . . . . 51947 6
64 1 . . . 1.394 . . . . . . 397 LEU HB2 . . . . . . . . . . . . 51947 6
64 2 . . . 114.050 . . . . . . 398 THR N . . . . . . . . . . . . 51947 6
64 3 . . . 7.740 . . . . . . 398 THR H . . . . . . . . . . . . 51947 6
65 1 . . . 1.192 . . . . . . 397 LEU HB3 . . . . . . . . . . . . 51947 6
65 2 . . . 114.059 . . . . . . 398 THR N . . . . . . . . . . . . 51947 6
65 3 . . . 7.741 . . . . . . 398 THR H . . . . . . . . . . . . 51947 6
66 1 . . . 4.102 . . . . . . 398 THR HA . . . . . . . . . . . . 51947 6
66 2 . . . 122.829 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 6
66 3 . . . 7.862 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 6
67 1 . . . 3.998 . . . . . . 398 THR HB . . . . . . . . . . . . 51947 6
67 2 . . . 122.805 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 6
67 3 . . . 7.860 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 6
68 1 . . . 4.660 . . . . . . 399 TRP HA . . . . . . . . . . . . 51947 6
68 2 . . . 128.878 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 6
68 3 . . . 7.551 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 6
69 1 . . . 3.238 . . . . . . 399 TRP HB2 . . . . . . . . . . . . 51947 6
69 2 . . . 128.858 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 6
69 3 . . . 7.552 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 6
70 1 . . . 3.134 . . . . . . 399 TRP HB3 . . . . . . . . . . . . 51947 6
70 2 . . . 128.854 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 6
70 3 . . . 7.553 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 6
71 1 . . . 2.734 . . . . . . 368 ASN HB2 . . . . . . . . . . . . 51947 6
71 2 . . . 120.182 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 6
71 3 . . . 8.022 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 6
72 1 . . . 2.665 . . . . . . 368 ASN HB3 . . . . . . . . . . . . 51947 6
72 2 . . . 120.182 . . . . . . 369 VAL N . . . . . . . . . . . . 51947 6
72 3 . . . 8.021 . . . . . . 369 VAL H . . . . . . . . . . . . 51947 6
73 1 . . . 1.542 . . . . . . 390 LEU HB3 . . . . . . . . . . . . 51947 6
73 2 . . . 118.715 . . . . . . 391 ASN N . . . . . . . . . . . . 51947 6
73 3 . . . 8.131 . . . . . . 391 ASN H . . . . . . . . . . . . 51947 6
74 1 . . . 1.780 . . . . . . 392 LYS HB2 . . . . . . . . . . . . 51947 6
74 2 . . . 116.656 . . . . . . 393 SER N . . . . . . . . . . . . 51947 6
74 3 . . . 8.214 . . . . . . 393 SER H . . . . . . . . . . . . 51947 6
75 1 . . . 4.452 . . . . . . 396 PHE HA . . . . . . . . . . . . 51947 6
75 2 . . . 123.747 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 6
75 3 . . . 7.902 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 6
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . -320080773120.000000 . . . 4.201 . 108.875 . 8.400 . . . . . 371 . LEU HA . . . . 372 . GLY N . . . . 372 . GLY H . . . . . . . . . . 51947 6
. 10 . . . -270904950784.000000 . . . 1.973 . 123.835 . 8.289 . . . . . 369 . VAL HB . . . . 370 . ASP N . . . . 370 . ASP H . . . . . . . . . . 51947 6
. 11 . . . -569595527168.000000 . . . 2.645 . 123.567 . 8.236 . . . . . 370 . ASP HB2 . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . 51947 6
. 12 . . . -542910709760.000000 . . . 2.500 . 123.550 . 8.236 . . . . . 370 . ASP HB3 . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . 51947 6
. 13 . . . -540039315456.000000 . . . 3.754 . 123.516 . 8.201 . . . . . 393 . SER HB3 . . . . 394 . GLU N . . . . 394 . GLU H . . . . . . . . . . 51947 6
. 14 . . . -604203057152.000000 . . . 4.527 . 123.573 . 8.236 . . . . . 370 . ASP HA . . . . 371 . LEU N . . . . 371 . LEU H . . . . . . . . . . 51947 6
. 15 . . . -1472830898176.000000 . . . 3.875 . 113.614 . 7.873 . . . . . 372 . GLY HA3 . . . . 373 . THR N . . . . 373 . THR H . . . . . . . . . . 51947 6
. 16 . . . -345213239296.000000 . . . 4.234 . 124.502 . 8.167 . . . . . 373 . THR HA . . . . 374 . LEU N . . . . 374 . LEU H . . . . . . . . . . 51947 6
. 17 . . . -473793822720.000000 . . . 4.130 . 124.485 . 8.168 . . . . . 373 . THR HB . . . . 374 . LEU N . . . . 374 . LEU H . . . . . . . . . . 51947 6
. 18 . . . -345831374848.000000 . . . 4.278 . 121.711 . 8.365 . . . . . 374 . LEU HA . . . . 375 . GLU N . . . . 375 . GLU H . . . . . . . . . . 51947 6
. 19 . . . -146749554688.000000 . . . 1.532 . 121.713 . 8.365 . . . . . 374 . LEU HB2 . . . . 375 . GLU N . . . . 375 . GLU H . . . . . . . . . . 51947 6
. 2 . . . -179923910656.000000 . . . 1.564 . 108.870 . 8.400 . . . . . 371 . LEU HB2 . . . . 372 . GLY N . . . . 372 . GLY H . . . . . . . . . . 51947 6
. 20 . . . -685594312704.000000 . . . 4.209 . 116.145 . 8.156 . . . . . 375 . GLU HA . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . 51947 6
. 21 . . . -273360142336.000000 . . . 1.968 . 116.153 . 8.154 . . . . . 375 . GLU HB2 . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . 51947 6
. 22 . . . -336173662208.000000 . . . 1.844 . 116.179 . 8.156 . . . . . 375 . GLU HB3 . . . . 376 . SER N . . . . 376 . SER H . . . . . . . . . . 51947 6
. 23 . . . -593876221952.000000 . . . 3.749 . 122.873 . 8.428 . . . . . 376 . SER HB3 . . . . 377 . GLU N . . . . 377 . GLU H . . . . . . . . . . 51947 6
. 24 . . . -479658180608.000000 . . . 4.330 . 122.858 . 8.428 . . . . . 376 . SER HA . . . . 377 . GLU N . . . . 377 . GLU H . . . . . . . . . . 51947 6
. 25 . . . -822374694912.000000 . . . 4.189 . 120.688 . 8.217 . . . . . 377 . GLU HA . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . 51947 6
. 26 . . . -322947186688.000000 . . . 1.839 . 120.710 . 8.217 . . . . . 377 . GLU HB3 . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . 51947 6
. 27 . . . -265239052288.000000 . . . 1.973 . 120.709 . 8.215 . . . . . 377 . GLU HB2 . . . . 378 . ASP N . . . . 378 . ASP H . . . . . . . . . . 51947 6
. 28 . . . -426626908160.000000 . . . 2.574 . 121.921 . 7.950 . . . . . 378 . ASP HB2 . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . 51947 6
. 29 . . . -411489533952.000000 . . . 2.456 . 121.920 . 7.950 . . . . . 378 . ASP HB3 . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . 51947 6
. 3 . . . -325289181184.000000 . . . 4.269 . 125.411 . 8.128 . . . . . 388 . SER HA . . . . 389 . ALA N . . . . 389 . ALA H . . . . . . . . . . 51947 6
. 30 . . . -447420956672.000000 . . . 4.471 . 121.930 . 7.951 . . . . . 378 . ASP HA . . . . 379 . LEU N . . . . 379 . LEU H . . . . . . . . . . 51947 6
. 31 . . . -268527304704.000000 . . . 4.223 . 123.651 . 7.972 . . . . . 379 . LEU HA . . . . 380 . ILE N . . . . 380 . ILE H . . . . . . . . . . 51947 6
. 32 . . . -74038607872.000000 . . . 1.456 . 123.634 . 7.976 . . . . . 379 . LEU HB2 . . . . 380 . ILE N . . . . 380 . ILE H . . . . . . . . . . 51947 6
. 33 . . . -518619660288.000000 . . . 4.250 . 121.928 . 8.079 . . . . . 381 . PRO HA . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . 51947 6
. 34 . . . -143180234752.000000 . . . 2.092 . 121.982 . 8.078 . . . . . 381 . PRO HB2 . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . 51947 6
. 35 . . . -166279544832.000000 . . . 1.659 . 121.921 . 8.078 . . . . . 381 . PRO HB3 . . . . 382 . LEU N . . . . 382 . LEU H . . . . . . . . . . 51947 6
. 36 . . . -328857452544.000000 . . . 4.155 . 120.310 . 8.077 . . . . . 382 . LEU HA . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . 51947 6
. 37 . . . -94391304192.000000 . . . 1.440 . 120.318 . 8.076 . . . . . 382 . LEU HB2 . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . 51947 6
. 38 . . . -127574335488.000000 . . . 1.324 . 120.271 . 8.077 . . . . . 382 . LEU HB3 . . . . 383 . PHE N . . . . 383 . PHE H . . . . . . . . . . 51947 6
. 39 . . . -209749704704.000000 . . . 4.529 . 120.587 . 8.256 . . . . . 383 . PHE HA . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . 51947 6
. 4 . . . -347536490496.000000 . . . 3.781 . 125.439 . 8.129 . . . . . 388 . SER HB3 . . . . 389 . ALA N . . . . 389 . ALA H . . . . . . . . . . 51947 6
. 40 . . . -126820253696.000000 . . . 3.035 . 120.602 . 8.257 . . . . . 383 . PHE HB2 . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . 51947 6
. 41 . . . -116130881536.000000 . . . 2.915 . 120.588 . 8.254 . . . . . 383 . PHE HB3 . . . . 384 . ASN N . . . . 384 . ASN H . . . . . . . . . . 51947 6
. 42 . . . -475474296832.000000 . . . 4.568 . 121.215 . 8.187 . . . . . 384 . ASN HA . . . . 385 . ASP N . . . . 385 . ASP H . . . . . . . . . . 51947 6
. 43 . . . -119286636544.000000 . . . 2.961 . 123.771 . 7.903 . . . . . 396 . PHE HB3 . . . . 397 . LEU N . . . . 397 . LEU H . . . . . . . . . . 51947 6
. 44 . . . -231716962304.000000 . . . 4.357 . 123.496 . 8.200 . . . . . 393 . SER HA . . . . 394 . GLU N . . . . 394 . GLU H . . . . . . . . . . 51947 6
. 45 . . . -534835429376.000000 . . . 2.622 . 121.197 . 8.185 . . . . . 384 . ASN HB3 . . . . 385 . ASP N . . . . 385 . ASP H . . . . . . . . . . 51947 6
. 46 . . . -470157426688.000000 . . . 2.533 . 119.933 . 7.965 . . . . . 385 . ASP HB3 . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . 51947 6
. 47 . . . -461761544192.000000 . . . 2.612 . 119.942 . 7.966 . . . . . 385 . ASP HB2 . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . 51947 6
. 48 . . . -509867196416.000000 . . . 4.474 . 119.933 . 7.965 . . . . . 385 . ASP HA . . . . 386 . VAL N . . . . 386 . VAL H . . . . . . . . . . 51947 6
. 49 . . . -533926510592.000000 . . . 3.953 . 122.986 . 8.328 . . . . . 386 . VAL HA . . . . 387 . GLU N . . . . 387 . GLU H . . . . . . . . . . 51947 6
. 5 . . . -1233185800192.000000 . . . 3.988 . 113.820 . 8.186 . . . . . 366 . GLY HA2 . . . . 367 . THR N . . . . 367 . THR H . . . . . . . . . . 51947 6
. 50 . . . -204692258816.000000 . . . 2.026 . 122.979 . 8.328 . . . . . 386 . VAL HB . . . . 387 . GLU N . . . . 387 . GLU H . . . . . . . . . . 51947 6
. 51 . . . -577111195648.000000 . . . 4.133 . 116.218 . 8.124 . . . . . 387 . GLU HA . . . . 388 . SER N . . . . 388 . SER H . . . . . . . . . . 51947 6
. 52 . . . -217923780608.000000 . . . 1.932 . 116.231 . 8.123 . . . . . 387 . GLU HB3 . . . . 388 . SER N . . . . 388 . SER H . . . . . . . . . . 51947 6
. 53 . . . -3211420499968.000000 . . . 4.197 . 119.776 . 7.911 . . . . . 389 . ALA HA . . . . 390 . LEU N . . . . 390 . LEU H . . . . . . . . . . 51947 6
. 54 . . . -3734795976704.000000 . . . 1.302 . 119.795 . 7.912 . . . . . 389 . ALA HB . . . . 390 . LEU N . . . . 390 . LEU H . . . . . . . . . . 51947 6
. 55 . . . -192791822336.000000 . . . 4.159 . 118.575 . 8.134 . . . . . 390 . LEU HA . . . . 391 . ASN N . . . . 391 . ASN H . . . . . . . . . . 51947 6
. 56 . . . -223925600256.000000 . . . 2.737 . 121.528 . 8.087 . . . . . 391 . ASN HB2 . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . 51947 6
. 57 . . . -217097060352.000000 . . . 2.645 . 121.547 . 8.088 . . . . . 391 . ASN HB3 . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . 51947 6
. 58 . . . -184725766144.000000 . . . 4.570 . 121.540 . 8.089 . . . . . 391 . ASN HA . . . . 392 . LYS N . . . . 392 . LYS H . . . . . . . . . . 51947 6
. 59 . . . -233687908352.000000 . . . 4.239 . 116.703 . 8.210 . . . . . 392 . LYS HA . . . . 393 . SER N . . . . 393 . SER H . . . . . . . . . . 51947 6
. 6 . . . -369448747008.000000 . . . 4.279 . 121.386 . 8.433 . . . . . 367 . THR HA . . . . 368 . ASN N . . . . 368 . ASN H . . . . . . . . . . 51947 6
. 60 . . . -327639367680.000000 . . . 4.237 . 119.294 . 8.008 . . . . . 395 . PRO HA . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . 51947 6
. 61 . . . -98929623040.000000 . . . 2.075 . 119.324 . 8.005 . . . . . 395 . PRO HB2 . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . 51947 6
. 62 . . . -122696663040.000000 . . . 1.640 . 119.408 . 8.007 . . . . . 395 . PRO HB3 . . . . 396 . PHE N . . . . 396 . PHE H . . . . . . . . . . 51947 6
. 63 . . . -142759985152.000000 . . . 4.170 . 114.036 . 7.740 . . . . . 397 . LEU HA . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . 51947 6
. 64 . . . -46619467776.000000 . . . 1.394 . 114.050 . 7.740 . . . . . 397 . LEU HB2 . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . 51947 6
. 65 . . . -42938068992.000000 . . . 1.192 . 114.059 . 7.741 . . . . . 397 . LEU HB3 . . . . 398 . THR N . . . . 398 . THR H . . . . . . . . . . 51947 6
. 66 . . . -273202249728.000000 . . . 4.102 . 122.829 . 7.862 . . . . . 398 . THR HA . . . . 399 . TRP N . . . . 399 . TRP H . . . . . . . . . . 51947 6
. 67 . . . -309175255040.000000 . . . 3.998 . 122.805 . 7.860 . . . . . 398 . THR HB . . . . 399 . TRP N . . . . 399 . TRP H . . . . . . . . . . 51947 6
. 68 . . . -2591464095744.000000 . . . 4.660 . 128.878 . 7.551 . . . . . 399 . TRP HA . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . 51947 6
. 69 . . . -245767749632.000000 . . . 3.238 . 128.858 . 7.552 . . . . . 399 . TRP HB2 . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . 51947 6
. 7 . . . -424414216192.000000 . . . 4.136 . 121.388 . 8.434 . . . . . 367 . THR HB . . . . 368 . ASN N . . . . 368 . ASN H . . . . . . . . . . 51947 6
. 70 . . . -254971985920.000000 . . . 3.134 . 128.854 . 7.553 . . . . . 399 . TRP HB3 . . . . 400 . LEU N . . . . 400 . LEU H . . . . . . . . . . 51947 6
. 71 . . . -565931868160.000000 . . . 2.734 . 120.182 . 8.022 . . . . . 368 . ASN HB2 . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . 51947 6
. 72 . . . -527422816256.000000 . . . 2.665 . 120.182 . 8.021 . . . . . 368 . ASN HB3 . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . 51947 6
. 73 . . . -106086834176.000000 . . . 1.542 . 118.715 . 8.131 . . . . . 390 . LEU HB3 . . . . 391 . ASN N . . . . 391 . ASN H . . . . . . . . . . 51947 6
. 74 . . . -112396115968.000000 . . . 1.780 . 116.656 . 8.214 . . . . . 392 . LYS HB2 . . . . 393 . SER N . . . . 393 . SER H . . . . . . . . . . 51947 6
. 75 . . . -142361952256.000000 . . . 4.452 . 123.747 . 7.902 . . . . . 396 . PHE HA . . . . 397 . LEU N . . . . 397 . LEU H . . . . . . . . . . 51947 6
. 8 . . . -520163164160.000000 . . . 4.644 . 120.182 . 8.021 . . . . . 368 . ASN HA . . . . 369 . VAL N . . . . 369 . VAL H . . . . . . . . . . 51947 6
. 9 . . . -607405998080.000000 . . . 4.000 . 123.843 . 8.289 . . . . . 369 . VAL HA . . . . 370 . ASP N . . . . 370 . ASP H . . . . . . . . . . 51947 6
stop_
save_
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 7
_Spectral_peak_list.Name 'peak list 7 15N-noesy'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 9
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . N 15 N* . 'not observed' 1824.568 Hz . . . . . . 51947 7
2 . . H 1 H* . 'not observed' 6001.500 Hz . . . . . . 51947 7
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 7
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 7
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 93452976128.000000 . height 51947 7
2 19096399872.000000 . height 51947 7
3 29835311104.000000 . height 51947 7
4 10562522112.000000 . height 51947 7
5 14196238336.000000 . height 51947 7
6 13113142272.000000 . height 51947 7
7 31963340800.000000 . height 51947 7
8 10402847744.000000 . height 51947 7
9 30213265408.000000 . height 51947 7
10 8350586880.000000 . height 51947 7
11 9088425984.000000 . height 51947 7
12 16920133632.000000 . height 51947 7
13 26704375808.000000 . height 51947 7
14 23301697536.000000 . height 51947 7
15 29062182912.000000 . height 51947 7
16 7793931264.000000 . height 51947 7
17 35581931520.000000 . height 51947 7
18 6518977024.000000 . height 51947 7
19 22835468288.000000 . height 51947 7
20 15114855424.000000 . height 51947 7
21 66830729216.000000 . height 51947 7
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 123.679 . . . . . . . . . . . . . 51947 7
1 2 4.239 . . . . . . . . . . . . . 51947 7
1 3 7.974 . . . . . . . . . . . . . 51947 7
2 1 122.842 . . . . . . . . . . . . . 51947 7
2 2 4.104 . . . . . . . . . . . . . 51947 7
2 3 7.859 . . . . . . . . . . . . . 51947 7
3 1 123.768 . . . . . . . . . . . . . 51947 7
3 2 4.465 . . . . . . . . . . . . . 51947 7
3 3 7.900 . . . . . . . . . . . . . 51947 7
4 1 128.867 . . . . . . . . . . . . . 51947 7
4 2 4.644 . . . . . . . . . . . . . 51947 7
4 3 7.549 . . . . . . . . . . . . . 51947 7
5 1 123.761 . . . . . . . . . . . . . 51947 7
5 2 1.405 . . . . . . . . . . . . . 51947 7
5 3 7.899 . . . . . . . . . . . . . 51947 7
6 1 119.292 . . . . . . . . . . . . . 51947 7
6 2 2.955 . . . . . . . . . . . . . 51947 7
6 3 8.005 . . . . . . . . . . . . . 51947 7
7 1 119.351 . . . . . . . . . . . . . 51947 7
7 2 4.241 . . . . . . . . . . . . . 51947 7
7 3 8.006 . . . . . . . . . . . . . 51947 7
8 1 119.422 . . . . . . . . . . . . . 51947 7
8 2 4.482 . . . . . . . . . . . . . 51947 7
8 3 8.001 . . . . . . . . . . . . . 51947 7
9 1 123.528 . . . . . . . . . . . . . 51947 7
9 2 4.369 . . . . . . . . . . . . . 51947 7
9 3 8.195 . . . . . . . . . . . . . 51947 7
10 1 116.741 . . . . . . . . . . . . . 51947 7
10 2 3.769 . . . . . . . . . . . . . 51947 7
10 3 8.201 . . . . . . . . . . . . . 51947 7
11 1 125.377 . . . . . . . . . . . . . 51947 7
11 2 1.308 . . . . . . . . . . . . . 51947 7
11 3 8.128 . . . . . . . . . . . . . 51947 7
12 1 116.194 . . . . . . . . . . . . . 51947 7
12 2 3.781 . . . . . . . . . . . . . 51947 7
12 3 8.119 . . . . . . . . . . . . . 51947 7
13 1 116.111 . . . . . . . . . . . . . 51947 7
13 2 3.772 . . . . . . . . . . . . . 51947 7
13 3 8.153 . . . . . . . . . . . . . 51947 7
14 1 122.993 . . . . . . . . . . . . . 51947 7
14 2 4.132 . . . . . . . . . . . . . 51947 7
14 3 8.326 . . . . . . . . . . . . . 51947 7
15 1 123.032 . . . . . . . . . . . . . 51947 7
15 2 1.934 . . . . . . . . . . . . . 51947 7
15 3 8.326 . . . . . . . . . . . . . 51947 7
16 1 122.867 . . . . . . . . . . . . . 51947 7
16 2 0.860 . . . . . . . . . . . . . 51947 7
16 3 8.322 . . . . . . . . . . . . . 51947 7
17 1 119.939 . . . . . . . . . . . . . 51947 7
17 2 8.351 . . . . . . . . . . . . . 51947 7
17 3 7.961 . . . . . . . . . . . . . 51947 7
18 1 119.866 . . . . . . . . . . . . . 51947 7
18 2 2.596 . . . . . . . . . . . . . 51947 7
18 3 7.967 . . . . . . . . . . . . . 51947 7
19 1 119.879 . . . . . . . . . . . . . 51947 7
19 2 0.861 . . . . . . . . . . . . . 51947 7
19 3 7.963 . . . . . . . . . . . . . 51947 7
20 1 121.299 . . . . . . . . . . . . . 51947 7
20 2 7.934 . . . . . . . . . . . . . 51947 7
20 3 8.183 . . . . . . . . . . . . . 51947 7
21 1 121.812 . . . . . . . . . . . . . 51947 7
21 2 8.196 . . . . . . . . . . . . . 51947 7
21 3 7.952 . . . . . . . . . . . . . 51947 7
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 123.679 . . . . . . 380 ILE N . . . . . . . . . . . . 51947 7
1 2 . . . 4.239 . . . . . . 380 ILE HA . . . . . . . . . . . . 51947 7
1 3 . . . 7.974 . . . . . . 380 ILE H . . . . . . . . . . . . 51947 7
2 1 . . . 122.842 . . . . . . 399 TRP N . . . . . . . . . . . . 51947 7
2 2 . . . 4.104 . . . . . . 398 THR HA . . . . . . . . . . . . 51947 7
2 3 . . . 7.859 . . . . . . 399 TRP H . . . . . . . . . . . . 51947 7
3 1 . . . 123.768 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 7
3 2 . . . 4.465 . . . . . . 396 PHE HA . . . . . . . . . . . . 51947 7
3 3 . . . 7.900 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 7
4 1 . . . 128.867 . . . . . . 400 LEU N . . . . . . . . . . . . 51947 7
4 2 . . . 4.644 . . . . . . 399 TRP HA . . . . . . . . . . . . 51947 7
4 3 . . . 7.549 . . . . . . 400 LEU H . . . . . . . . . . . . 51947 7
5 1 . . . 123.761 . . . . . . 397 LEU N . . . . . . . . . . . . 51947 7
5 2 . . . 1.405 . . . . . . 397 LEU HB2 . . . . . . . . . . . . 51947 7
5 3 . . . 7.899 . . . . . . 397 LEU H . . . . . . . . . . . . 51947 7
6 1 . . . 119.292 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 7
6 2 . . . 2.955 . . . . . . 396 PHE HB3 . . . . . . . . . . . . 51947 7
6 3 . . . 8.005 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 7
7 1 . . . 119.351 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 7
7 2 . . . 4.241 . . . . . . 395 PRO HA . . . . . . . . . . . . 51947 7
7 3 . . . 8.006 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 7
8 1 . . . 119.422 . . . . . . 396 PHE N . . . . . . . . . . . . 51947 7
8 2 . . . 4.482 . . . . . . 396 PHE HA . . . . . . . . . . . . 51947 7
8 3 . . . 8.001 . . . . . . 396 PHE H . . . . . . . . . . . . 51947 7
9 1 . . . 123.528 . . . . . . 394 GLU N . . . . . . . . . . . . 51947 7
9 2 . . . 4.369 . . . . . . 393 SER HA . . . . . . . . . . . . 51947 7
9 3 . . . 8.195 . . . . . . 394 GLU H . . . . . . . . . . . . 51947 7
10 1 . . . 116.741 . . . . . . 393 SER N . . . . . . . . . . . . 51947 7
10 2 . . . 3.769 . . . . . . 393 SER HB3 . . . . . . . . . . . . 51947 7
10 3 . . . 8.201 . . . . . . 393 SER H . . . . . . . . . . . . 51947 7
11 1 . . . 125.377 . . . . . . 389 ALA N . . . . . . . . . . . . 51947 7
11 2 . . . 1.308 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 7
11 3 . . . 8.128 . . . . . . 389 ALA H . . . . . . . . . . . . 51947 7
12 1 . . . 116.194 . . . . . . 388 SER N . . . . . . . . . . . . 51947 7
12 2 . . . 3.781 . . . . . . 388 SER HB3 . . . . . . . . . . . . 51947 7
12 3 . . . 8.119 . . . . . . 388 SER H . . . . . . . . . . . . 51947 7
13 1 . . . 116.111 . . . . . . 376 SER N . . . . . . . . . . . . 51947 7
13 2 . . . 3.772 . . . . . . 376 SER HB3 . . . . . . . . . . . . 51947 7
13 3 . . . 8.153 . . . . . . 376 SER H . . . . . . . . . . . . 51947 7
14 1 . . . 122.993 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 7
14 2 . . . 4.132 . . . . . . 387 GLU HA . . . . . . . . . . . . 51947 7
14 3 . . . 8.326 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7
15 1 . . . 123.032 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 7
15 2 . . . 1.934 . . . . . . 387 GLU HB3 . . . . . . . . . . . . 51947 7
15 3 . . . 8.326 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7
16 1 . . . 122.867 . . . . . . 387 GLU N . . . . . . . . . . . . 51947 7
16 2 . . . 0.860 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 7
16 3 . . . 8.322 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7
17 1 . . . 119.939 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 7
17 2 . . . 8.351 . . . . . . 387 GLU H . . . . . . . . . . . . 51947 7
17 3 . . . 7.961 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7
18 1 . . . 119.866 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 7
18 2 . . . 2.596 . . . . . . 385 ASP HB2 . . . . . . . . . . . . 51947 7
18 3 . . . 7.967 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7
19 1 . . . 119.879 . . . . . . 386 VAL N . . . . . . . . . . . . 51947 7
19 2 . . . 0.861 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 7
19 3 . . . 7.963 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7
20 1 . . . 121.299 . . . . . . 385 ASP N . . . . . . . . . . . . 51947 7
20 2 . . . 7.934 . . . . . . 386 VAL H . . . . . . . . . . . . 51947 7
20 3 . . . 8.183 . . . . . . 385 ASP H . . . . . . . . . . . . 51947 7
21 1 . . . 121.812 . . . . . . 379 LEU N . . . . . . . . . . . . 51947 7
21 2 . . . 8.196 . . . . . . 378 ASP H . . . . . . . . . . . . 51947 7
21 3 . . . 7.952 . . . . . . 379 LEU H . . . . . . . . . . . . 51947 7
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . 93452976128.000000 . . . 123.679 . 4.239 . 7.974 . . . . . 380 . ILE N . . . . 380 . ILE HA . . . . 380 . ILE H . . . . . . . . . . 51947 7
. 10 . . . 8350586880.000000 . . . 116.741 . 3.769 . 8.201 . . . . . 393 . SER N . . . . 393 . SER HB3 . . . . 393 . SER H . . . . . . . . . . 51947 7
. 11 . . . 9088425984.000000 . . . 125.377 . 1.308 . 8.128 . . . . . 389 . ALA N . . . . 389 . ALA HB . . . . 389 . ALA H . . . . . . . . . . 51947 7
. 12 . . . 16920133632.000000 . . . 116.194 . 3.781 . 8.119 . . . . . 388 . SER N . . . . 388 . SER HB3 . . . . 388 . SER H . . . . . . . . . . 51947 7
. 13 . . . 26704375808.000000 . . . 116.111 . 3.772 . 8.153 . . . . . 376 . SER N . . . . 376 . SER HB3 . . . . 376 . SER H . . . . . . . . . . 51947 7
. 14 . . . 23301697536.000000 . . . 122.993 . 4.132 . 8.326 . . . . . 387 . GLU N . . . . 387 . GLU HA . . . . 387 . GLU H . . . . . . . . . . 51947 7
. 15 . . . 29062182912.000000 . . . 123.032 . 1.934 . 8.326 . . . . . 387 . GLU N . . . . 387 . GLU HB3 . . . . 387 . GLU H . . . . . . . . . . 51947 7
. 16 . . . 7793931264.000000 . . . 122.867 . 0.860 . 8.322 . . . . . 387 . GLU N . . . . 386 . VAL HG1 . . . . 387 . GLU H . . . . . . . . . . 51947 7
. 17 . . . 35581931520.000000 . . . 119.939 . 8.351 . 7.961 . . . . . 386 . VAL N . . . . 387 . GLU H . . . . 386 . VAL H . . . . . . . . . . 51947 7
. 18 . . . 6518977024.000000 . . . 119.866 . 2.596 . 7.967 . . . . . 386 . VAL N . . . . 385 . ASP HB2 . . . . 386 . VAL H . . . . . . . . . . 51947 7
. 19 . . . 22835468288.000000 . . . 119.879 . 0.861 . 7.963 . . . . . 386 . VAL N . . . . 386 . VAL HG1 . . . . 386 . VAL H . . . . . . . . . . 51947 7
. 2 . . . 19096399872.000000 . . . 122.842 . 4.104 . 7.859 . . . . . 399 . TRP N . . . . 398 . THR HA . . . . 399 . TRP H . . . . . . . . . . 51947 7
. 20 . . . 15114855424.000000 . . . 121.299 . 7.934 . 8.183 . . . . . 385 . ASP N . . . . 386 . VAL H . . . . 385 . ASP H . . . . . . . . . . 51947 7
. 21 . . . 66830729216.000000 . . . 121.812 . 8.196 . 7.952 . . . . . 379 . LEU N . . . . 378 . ASP H . . . . 379 . LEU H . . . . . . . . . . 51947 7
. 3 . . . 29835311104.000000 . . . 123.768 . 4.465 . 7.900 . . . . . 397 . LEU N . . . . 396 . PHE HA . . . . 397 . LEU H . . . . . . . . . . 51947 7
. 4 . . . 10562522112.000000 . . . 128.867 . 4.644 . 7.549 . . . . . 400 . LEU N . . . . 399 . TRP HA . . . . 400 . LEU H . . . . . . . . . . 51947 7
. 5 . . . 14196238336.000000 . . . 123.761 . 1.405 . 7.899 . . . . . 397 . LEU N . . . . 397 . LEU HB2 . . . . 397 . LEU H . . . . . . . . . . 51947 7
. 6 . . . 13113142272.000000 . . . 119.292 . 2.955 . 8.005 . . . . . 396 . PHE N . . . . 396 . PHE HB3 . . . . 396 . PHE H . . . . . . . . . . 51947 7
. 7 . . . 31963340800.000000 . . . 119.351 . 4.241 . 8.006 . . . . . 396 . PHE N . . . . 395 . PRO HA . . . . 396 . PHE H . . . . . . . . . . 51947 7
. 8 . . . 10402847744.000000 . . . 119.422 . 4.482 . 8.001 . . . . . 396 . PHE N . . . . 396 . PHE HA . . . . 396 . PHE H . . . . . . . . . . 51947 7
. 9 . . . 30213265408.000000 . . . 123.528 . 4.369 . 8.195 . . . . . 394 . GLU N . . . . 393 . SER HA . . . . 394 . GLU H . . . . . . . . . . 51947 7
stop_
save_
save_spectral_peak_list_8
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_8
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 8
_Spectral_peak_list.Name 'peak list 8 hcch-cosy scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 7
_Spectral_peak_list.Experiment_name '3D HCCH-COSY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 8
2 . . H 1 H* . 'not observed' 3000 Hz . . . . . . 51947 8
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 8
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 8
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 157827137536.000000 . height 51947 8
2 42286551040.000000 . height 51947 8
3 58622877696.000000 . height 51947 8
4 1926934036480.000000 . height 51947 8
5 134734462976.000000 . height 51947 8
6 2371886252032.000000 . height 51947 8
7 1036930121728.000000 . height 51947 8
8 250749173760.000000 . height 51947 8
9 161823899648.000000 . height 51947 8
10 75556306944.000000 . height 51947 8
11 84642291712.000000 . height 51947 8
12 236665913344.000000 . height 51947 8
13 315798519808.000000 . height 51947 8
14 49964101632.000000 . height 51947 8
15 52261322752.000000 . height 51947 8
16 104122752.000000 . height 51947 8
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 42.375 . . . . . . . . . . . . . 51947 8
1 2 3.999 . . . . . . . . . . . . . 51947 8
1 3 3.966 . . . . . . . . . . . . . 51947 8
2 1 9.492 . . . . . . . . . . . . . 51947 8
2 2 0.737 . . . . . . . . . . . . . 51947 8
2 3 1.052 . . . . . . . . . . . . . 51947 8
3 1 9.497 . . . . . . . . . . . . . 51947 8
3 2 0.738 . . . . . . . . . . . . . 51947 8
3 3 1.400 . . . . . . . . . . . . . 51947 8
4 1 14.186 . . . . . . . . . . . . . 51947 8
4 2 0.812 . . . . . . . . . . . . . 51947 8
4 3 0.819 . . . . . . . . . . . . . 51947 8
5 1 13.976 . . . . . . . . . . . . . 51947 8
5 2 0.813 . . . . . . . . . . . . . 51947 8
5 3 1.766 . . . . . . . . . . . . . 51947 8
6 1 16.330 . . . . . . . . . . . . . 51947 8
6 2 1.281 . . . . . . . . . . . . . 51947 8
6 3 1.290 . . . . . . . . . . . . . 51947 8
7 1 18.220 . . . . . . . . . . . . . 51947 8
7 2 0.976 . . . . . . . . . . . . . 51947 8
7 3 0.985 . . . . . . . . . . . . . 51947 8
8 1 17.794 . . . . . . . . . . . . . 51947 8
8 2 0.825 . . . . . . . . . . . . . 51947 8
8 3 2.015 . . . . . . . . . . . . . 51947 8
9 1 66.664 . . . . . . . . . . . . . 51947 8
9 2 4.146 . . . . . . . . . . . . . 51947 8
9 3 1.086 . . . . . . . . . . . . . 51947 8
10 1 66.938 . . . . . . . . . . . . . 51947 8
10 2 4.017 . . . . . . . . . . . . . 51947 8
10 3 0.986 . . . . . . . . . . . . . 51947 8
11 1 66.664 . . . . . . . . . . . . . 51947 8
11 2 4.123 . . . . . . . . . . . . . 51947 8
11 3 1.070 . . . . . . . . . . . . . 51947 8
12 1 35.284 . . . . . . . . . . . . . 51947 8
12 2 1.758 . . . . . . . . . . . . . 51947 8
12 3 1.766 . . . . . . . . . . . . . 51947 8
13 1 35.284 . . . . . . . . . . . . . 51947 8
13 2 1.759 . . . . . . . . . . . . . 51947 8
13 3 0.821 . . . . . . . . . . . . . 51947 8
14 1 35.282 . . . . . . . . . . . . . 51947 8
14 2 1.754 . . . . . . . . . . . . . 51947 8
14 3 1.059 . . . . . . . . . . . . . 51947 8
15 1 35.277 . . . . . . . . . . . . . 51947 8
15 2 1.753 . . . . . . . . . . . . . 51947 8
15 3 1.402 . . . . . . . . . . . . . 51947 8
16 1 18.436 . . . . . . . . . . . . . 51947 8
16 2 1.072 . . . . . . . . . . . . . 51947 8
16 3 4.124 . . . . . . . . . . . . . 51947 8
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 42.375 . . . . . . 366 GLY CA . . . . . . . . . . . . 51947 8
1 2 . . . 3.999 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 8
1 3 . . . 3.966 . . . . . . 366 GLY HA2 . . . . . . . . . . . . 51947 8
2 1 . . . 9.492 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 8
2 2 . . . 0.737 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 8
2 3 . . . 1.052 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 8
3 1 . . . 9.497 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 8
3 2 . . . 0.738 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 8
3 3 . . . 1.400 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 8
4 1 . . . 14.186 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 8
4 2 . . . 0.812 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
4 3 . . . 0.819 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
5 1 . . . 13.976 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 8
5 2 . . . 0.813 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
5 3 . . . 1.766 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
6 1 . . . 16.330 . . . . . . 389 ALA CB . . . . . . . . . . . . 51947 8
6 2 . . . 1.281 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 8
6 3 . . . 1.290 . . . . . . 389 ALA HB . . . . . . . . . . . . 51947 8
7 1 . . . 18.220 . . . . . . 398 THR CG2 . . . . . . . . . . . . 51947 8
7 2 . . . 0.976 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8
7 3 . . . 0.985 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8
8 1 . . . 17.794 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 8
8 2 . . . 0.825 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 8
8 3 . . . 2.015 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 8
9 1 . . . 66.664 . . . . . . 367 THR CB . . . . . . . . . . . . 51947 8
9 2 . . . 4.146 . . . . . . 367 THR HB . . . . . . . . . . . . 51947 8
9 3 . . . 1.086 . . . . . . 367 THR HG2 . . . . . . . . . . . . 51947 8
10 1 . . . 66.938 . . . . . . 398 THR CB . . . . . . . . . . . . 51947 8
10 2 . . . 4.017 . . . . . . 398 THR HB . . . . . . . . . . . . 51947 8
10 3 . . . 0.986 . . . . . . 398 THR HG2 . . . . . . . . . . . . 51947 8
11 1 . . . 66.664 . . . . . . 373 THR CB . . . . . . . . . . . . 51947 8
11 2 . . . 4.123 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 8
11 3 . . . 1.070 . . . . . . 373 THR HG2 . . . . . . . . . . . . 51947 8
12 1 . . . 35.284 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
12 2 . . . 1.758 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
12 3 . . . 1.766 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
13 1 . . . 35.284 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
13 2 . . . 1.759 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
13 3 . . . 0.821 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 8
14 1 . . . 35.282 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
14 2 . . . 1.754 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
14 3 . . . 1.059 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 8
15 1 . . . 35.277 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 8
15 2 . . . 1.753 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 8
15 3 . . . 1.402 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 8
16 1 . . . 18.436 . . . . . . 373 THR CG2 . . . . . . . . . . . . 51947 8
16 2 . . . 1.072 . . . . . . 373 THR HG2 . . . . . . . . . . . . 51947 8
16 3 . . . 4.124 . . . . . . 373 THR HB . . . . . . . . . . . . 51947 8
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . 157827137536.000000 . . . 42.375 . 3.999 . 3.966 . . . . . 366 . GLY CA . . . . 366 . GLY HA2 . . . . 366 . GLY HA2 . . . . . . . . . . 51947 8
. 10 . . . 75556306944.000000 . . . 66.938 . 4.017 . 0.986 . . . . . 398 . THR CB . . . . 398 . THR HB . . . . 398 . THR HG2 . . . . . . . . . . 51947 8
. 11 . . . 84642291712.000000 . . . 66.664 . 4.123 . 1.070 . . . . . 373 . THR CB . . . . 373 . THR HB . . . . 373 . THR HG2 . . . . . . . . . . 51947 8
. 12 . . . 236665913344.000000 . . . 35.284 . 1.758 . 1.766 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HB . . . . . . . . . . 51947 8
. 13 . . . 315798519808.000000 . . . 35.284 . 1.759 . 0.821 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG2 . . . . . . . . . . 51947 8
. 14 . . . 49964101632.000000 . . . 35.282 . 1.754 . 1.059 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG13 . . . . . . . . . . 51947 8
. 15 . . . 52261322752.000000 . . . 35.277 . 1.753 . 1.402 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG12 . . . . . . . . . . 51947 8
. 16 . . . 104122752.000000 . . . 18.436 . 1.072 . 4.124 . . . . . 373 . THR CG2 . . . . 373 . THR HG2 . . . . 373 . THR HB . . . . . . . . . . 51947 8
. 2 . . . 42286551040.000000 . . . 9.492 . 0.737 . 1.052 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 8
. 3 . . . 58622877696.000000 . . . 9.497 . 0.738 . 1.400 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 8
. 4 . . . 1926934036480.000000 . . . 14.186 . 0.812 . 0.819 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG2 . . . . . . . . . . 51947 8
. 5 . . . 134734462976.000000 . . . 13.976 . 0.813 . 1.766 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HB . . . . . . . . . . 51947 8
. 6 . . . 2371886252032.000000 . . . 16.330 . 1.281 . 1.290 . . . . . 389 . ALA CB . . . . 389 . ALA HB . . . . 389 . ALA HB . . . . . . . . . . 51947 8
. 7 . . . 1036930121728.000000 . . . 18.220 . 0.976 . 0.985 . . . . . 398 . THR CG2 . . . . 398 . THR HG2 . . . . 398 . THR HG2 . . . . . . . . . . 51947 8
. 8 . . . 250749173760.000000 . . . 17.794 . 0.825 . 2.015 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HB . . . . . . . . . . 51947 8
. 9 . . . 161823899648.000000 . . . 66.664 . 4.146 . 1.086 . . . . . 367 . THR CB . . . . 367 . THR HB . . . . 367 . THR HG2 . . . . . . . . . . 51947 8
stop_
save_
save_spectral_peak_list_9
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_9
_Spectral_peak_list.Entry_ID 51947
_Spectral_peak_list.ID 9
_Spectral_peak_list.Name 'peak list 9 hcch-tocsy scrub'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 8
_Spectral_peak_list.Experiment_name '3D HCCH-TOCSY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data .
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 C* . 'not observed' 12000 Hz . . . . . . 51947 9
2 . . H 1 H* . 'not observed' 3000 Hz . . . . . . 51947 9
3 . . H 1 H* . 'not observed' 6578.947 Hz . . . . . . 51947 9
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
3 $software_3 . . 51947 9
stop_
loop_
_Peak_general_char.Peak_ID
_Peak_general_char.Intensity_val
_Peak_general_char.Intensity_val_err
_Peak_general_char.Measurement_method
_Peak_general_char.Entry_ID
_Peak_general_char.Spectral_peak_list_ID
1 460148342784.000000 . height 51947 9
2 182461726720.000000 . height 51947 9
3 214153822208.000000 . height 51947 9
4 290253078528.000000 . height 51947 9
5 314023149568.000000 . height 51947 9
6 91802656768.000000 . height 51947 9
7 75509719040.000000 . height 51947 9
8 1215108743168.000000 . height 51947 9
9 465854464000.000000 . height 51947 9
10 108627951616.000000 . height 51947 9
11 479173738496.000000 . height 51947 9
12 285983604736.000000 . height 51947 9
13 563333169152.000000 . height 51947 9
stop_
loop_
_Peak_char.Peak_ID
_Peak_char.Spectral_dim_ID
_Peak_char.Chem_shift_val
_Peak_char.Chem_shift_val_err
_Peak_char.Line_width_val
_Peak_char.Line_width_val_err
_Peak_char.Phase_val
_Peak_char.Phase_val_err
_Peak_char.Decay_rate_val
_Peak_char.Decay_rate_val_err
_Peak_char.Coupling_pattern
_Peak_char.Bounding_box_upper_val
_Peak_char.Bounding_box_lower_val
_Peak_char.Bounding_box_range_val
_Peak_char.Details
_Peak_char.Derivation_method_ID
_Peak_char.Entry_ID
_Peak_char.Spectral_peak_list_ID
1 1 9.540 . . . . . . . . . . . . . 51947 9
1 2 0.756 . . . . . . . . . . . . . 51947 9
1 3 0.750 . . . . . . . . . . . . . 51947 9
2 1 9.616 . . . . . . . . . . . . . 51947 9
2 2 0.743 . . . . . . . . . . . . . 51947 9
2 3 1.049 . . . . . . . . . . . . . 51947 9
3 1 9.590 . . . . . . . . . . . . . 51947 9
3 2 0.743 . . . . . . . . . . . . . 51947 9
3 3 1.402 . . . . . . . . . . . . . 51947 9
4 1 9.565 . . . . . . . . . . . . . 51947 9
4 2 0.742 . . . . . . . . . . . . . 51947 9
4 3 1.759 . . . . . . . . . . . . . 51947 9
5 1 14.099 . . . . . . . . . . . . . 51947 9
5 2 0.814 . . . . . . . . . . . . . 51947 9
5 3 1.763 . . . . . . . . . . . . . 51947 9
6 1 14.160 . . . . . . . . . . . . . 51947 9
6 2 0.816 . . . . . . . . . . . . . 51947 9
6 3 1.403 . . . . . . . . . . . . . 51947 9
7 1 14.019 . . . . . . . . . . . . . 51947 9
7 2 0.816 . . . . . . . . . . . . . 51947 9
7 3 1.049 . . . . . . . . . . . . . 51947 9
8 1 14.175 . . . . . . . . . . . . . 51947 9
8 2 0.816 . . . . . . . . . . . . . 51947 9
8 3 0.815 . . . . . . . . . . . . . 51947 9
9 1 17.707 . . . . . . . . . . . . . 51947 9
9 2 0.826 . . . . . . . . . . . . . 51947 9
9 3 2.011 . . . . . . . . . . . . . 51947 9
10 1 17.911 . . . . . . . . . . . . . 51947 9
10 2 0.816 . . . . . . . . . . . . . 51947 9
10 3 3.922 . . . . . . . . . . . . . 51947 9
11 1 17.847 . . . . . . . . . . . . . 51947 9
11 2 0.786 . . . . . . . . . . . . . 51947 9
11 3 1.958 . . . . . . . . . . . . . 51947 9
12 1 35.306 . . . . . . . . . . . . . 51947 9
12 2 1.755 . . . . . . . . . . . . . 51947 9
12 3 1.762 . . . . . . . . . . . . . 51947 9
13 1 35.310 . . . . . . . . . . . . . 51947 9
13 2 1.754 . . . . . . . . . . . . . 51947 9
13 3 0.816 . . . . . . . . . . . . . 51947 9
stop_
loop_
_Assigned_peak_chem_shift.Peak_ID
_Assigned_peak_chem_shift.Spectral_dim_ID
_Assigned_peak_chem_shift.Set_ID
_Assigned_peak_chem_shift.Magnetization_linkage_ID
_Assigned_peak_chem_shift.Assembly_atom_ID
_Assigned_peak_chem_shift.Val
_Assigned_peak_chem_shift.Contribution_fractional_val
_Assigned_peak_chem_shift.Figure_of_merit
_Assigned_peak_chem_shift.Assigned_chem_shift_list_ID
_Assigned_peak_chem_shift.Atom_chem_shift_ID
_Assigned_peak_chem_shift.Entity_assembly_ID
_Assigned_peak_chem_shift.Entity_ID
_Assigned_peak_chem_shift.Comp_index_ID
_Assigned_peak_chem_shift.Comp_ID
_Assigned_peak_chem_shift.Atom_ID
_Assigned_peak_chem_shift.Ambiguity_code
_Assigned_peak_chem_shift.Ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_atom_peak_num
_Assigned_peak_chem_shift.Auth_entity_ID
_Assigned_peak_chem_shift.Auth_seq_ID
_Assigned_peak_chem_shift.Auth_comp_ID
_Assigned_peak_chem_shift.Auth_atom_ID
_Assigned_peak_chem_shift.Auth_ambiguity_code
_Assigned_peak_chem_shift.Auth_ambiguity_set_ID
_Assigned_peak_chem_shift.Auth_amb_atom_grp_ID
_Assigned_peak_chem_shift.Resonance_ID
_Assigned_peak_chem_shift.Details
_Assigned_peak_chem_shift.Entry_ID
_Assigned_peak_chem_shift.Spectral_peak_list_ID
1 1 . . . 9.540 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
1 2 . . . 0.756 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
1 3 . . . 0.750 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
2 1 . . . 9.616 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
2 2 . . . 0.743 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
2 3 . . . 1.049 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 9
3 1 . . . 9.590 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
3 2 . . . 0.743 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
3 3 . . . 1.402 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 9
4 1 . . . 9.565 . . . . . . 380 ILE CD1 . . . . . . . . . . . . 51947 9
4 2 . . . 0.742 . . . . . . 380 ILE HD1 . . . . . . . . . . . . 51947 9
4 3 . . . 1.759 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
5 1 . . . 14.099 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
5 2 . . . 0.814 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
5 3 . . . 1.763 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
6 1 . . . 14.160 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
6 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
6 3 . . . 1.403 . . . . . . 380 ILE HG12 . . . . . . . . . . . . 51947 9
7 1 . . . 14.019 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
7 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
7 3 . . . 1.049 . . . . . . 380 ILE HG13 . . . . . . . . . . . . 51947 9
8 1 . . . 14.175 . . . . . . 380 ILE CG2 . . . . . . . . . . . . 51947 9
8 2 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
8 3 . . . 0.815 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
9 1 . . . 17.707 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 9
9 2 . . . 0.826 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 9
9 3 . . . 2.011 . . . . . . 386 VAL HB . . . . . . . . . . . . 51947 9
10 1 . . . 17.911 . . . . . . 386 VAL CG1 . . . . . . . . . . . . 51947 9
10 2 . . . 0.816 . . . . . . 386 VAL HG1 . . . . . . . . . . . . 51947 9
10 3 . . . 3.922 . . . . . . 386 VAL HA . . . . . . . . . . . . 51947 9
11 1 . . . 17.847 . . . . . . 369 VAL CG1 . . . . . . . . . . . . 51947 9
11 2 . . . 0.786 . . . . . . 369 VAL HG1 . . . . . . . . . . . . 51947 9
11 3 . . . 1.958 . . . . . . 369 VAL HB . . . . . . . . . . . . 51947 9
12 1 . . . 35.306 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 9
12 2 . . . 1.755 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
12 3 . . . 1.762 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
13 1 . . . 35.310 . . . . . . 380 ILE CB . . . . . . . . . . . . 51947 9
13 2 . . . 1.754 . . . . . . 380 ILE HB . . . . . . . . . . . . 51947 9
13 3 . . . 0.816 . . . . . . 380 ILE HG2 . . . . . . . . . . . . 51947 9
stop_
loop_
_Peak_row_format.Index_ID
_Peak_row_format.ID
_Peak_row_format.Peak_ID
_Peak_row_format.Volume
_Peak_row_format.Volume_uncertainty
_Peak_row_format.Height
_Peak_row_format.Height_uncertainty
_Peak_row_format.Figure_of_merit
_Peak_row_format.Restraint
_Peak_row_format.Position_1
_Peak_row_format.Position_uncertainty_1
_Peak_row_format.Position_2
_Peak_row_format.Position_uncertainty_2
_Peak_row_format.Position_3
_Peak_row_format.Position_uncertainty_3
_Peak_row_format.Position_4
_Peak_row_format.Position_uncertainty_4
_Peak_row_format.Entity_assembly_ID_1
_Peak_row_format.Entity_ID_1
_Peak_row_format.Comp_index_ID_1
_Peak_row_format.Seq_ID_1
_Peak_row_format.Comp_ID_1
_Peak_row_format.Atom_ID_1
_Peak_row_format.Ambiguity_code_1
_Peak_row_format.Ambiguity_set_ID_1
_Peak_row_format.Entity_assembly_ID_2
_Peak_row_format.Entity_ID_2
_Peak_row_format.Comp_index_ID_2
_Peak_row_format.Seq_ID_2
_Peak_row_format.Comp_ID_2
_Peak_row_format.Atom_ID_2
_Peak_row_format.Ambiguity_code_2
_Peak_row_format.Ambiguity_set_ID_2
_Peak_row_format.Entity_assembly_ID_3
_Peak_row_format.Entity_ID_3
_Peak_row_format.Comp_index_ID_3
_Peak_row_format.Seq_ID_3
_Peak_row_format.Comp_ID_3
_Peak_row_format.Atom_ID_3
_Peak_row_format.Ambiguity_code_3
_Peak_row_format.Ambiguity_set_ID_3
_Peak_row_format.Entity_assembly_ID_4
_Peak_row_format.Entity_ID_4
_Peak_row_format.Comp_index_ID_4
_Peak_row_format.Seq_ID_4
_Peak_row_format.Comp_ID_4
_Peak_row_format.Atom_ID_4
_Peak_row_format.Ambiguity_code_4
_Peak_row_format.Ambiguity_set_ID_4
_Peak_row_format.Entry_ID
_Peak_row_format.Spectral_peak_list_ID
. 1 . . . 460148342784.000000 . . . 9.540 . 0.756 . 0.750 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HD1 . . . . . . . . . . 51947 9
. 10 . . . 108627951616.000000 . . . 17.911 . 0.816 . 3.922 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HA . . . . . . . . . . 51947 9
. 11 . . . 479173738496.000000 . . . 17.847 . 0.786 . 1.958 . . . . . 369 . VAL CG1 . . . . 369 . VAL HG1 . . . . 369 . VAL HB . . . . . . . . . . 51947 9
. 12 . . . 285983604736.000000 . . . 35.306 . 1.755 . 1.762 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HB . . . . . . . . . . 51947 9
. 13 . . . 563333169152.000000 . . . 35.310 . 1.754 . 0.816 . . . . . 380 . ILE CB . . . . 380 . ILE HB . . . . 380 . ILE HG2 . . . . . . . . . . 51947 9
. 2 . . . 182461726720.000000 . . . 9.616 . 0.743 . 1.049 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 9
. 3 . . . 214153822208.000000 . . . 9.590 . 0.743 . 1.402 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 9
. 4 . . . 290253078528.000000 . . . 9.565 . 0.742 . 1.759 . . . . . 380 . ILE CD1 . . . . 380 . ILE HD1 . . . . 380 . ILE HB . . . . . . . . . . 51947 9
. 5 . . . 314023149568.000000 . . . 14.099 . 0.814 . 1.763 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HB . . . . . . . . . . 51947 9
. 6 . . . 91802656768.000000 . . . 14.160 . 0.816 . 1.403 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG12 . . . . . . . . . . 51947 9
. 7 . . . 75509719040.000000 . . . 14.019 . 0.816 . 1.049 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG13 . . . . . . . . . . 51947 9
. 8 . . . 1215108743168.000000 . . . 14.175 . 0.816 . 0.815 . . . . . 380 . ILE CG2 . . . . 380 . ILE HG2 . . . . 380 . ILE HG2 . . . . . . . . . . 51947 9
. 9 . . . 465854464000.000000 . . . 17.707 . 0.826 . 2.011 . . . . . 386 . VAL CG1 . . . . 386 . VAL HG1 . . . . 386 . VAL HB . . . . . . . . . . 51947 9
stop_
save_