data_52893
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52893
_Entry.Title
;
1H, 13C, and 15N Chemical Shift Assignments for ScdA-N Terminal Domain (1-64) from Staphylococcus aureus
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2025-02-06
_Entry.Accession_date 2025-02-06
_Entry.Last_release_date 2025-02-06
_Entry.Original_release_date 2025-02-06
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_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 Hsuan-Wei Kuo . . . 0009-0004-9377-1548 52893
2 Chu-Ya Wu . . . 0000-0002-3182-5246 52893
3 Shih-Che Su . . . 0000-0002-2169-0157 52893
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 52893
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 258 52893
'15N chemical shifts' 70 52893
'1H chemical shifts' 422 52893
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 . . 2025-02-24 . original BMRB . 52893
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52893
_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
;
1H,15N.13C NMR Assignment of Staphylococcus aureus ScdA-N terminal Domain(1-64)
;
_Citation.Status 'in preparation'
_Citation.Type 'BMRB only'
_Citation.Journal_abbrev .
_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 Hsuan-Wei Kuo . . . . 52893 1
2 Chu-Ya Wu . . . . 52893 1
3 Shih-Che Su . . . . 52893 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52893
_Assembly.ID 1
_Assembly.Name 'ScdA-N terminal domain(1-64)'
_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 yes
_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 'ScdA-N terminal' 1 $entity_1 . . yes native yes no . . . 52893 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52893
_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
;
MINKNDIVADVVTDYPKAAD
IFRSVGIDFAAGGQVSIEAA
ALEKKNVDLNELLQRLNDVE
QTNT
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states yes
_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 64
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 52893 1
2 . ILE . 52893 1
3 . ASN . 52893 1
4 . LYS . 52893 1
5 . ASN . 52893 1
6 . ASP . 52893 1
7 . ILE . 52893 1
8 . VAL . 52893 1
9 . ALA . 52893 1
10 . ASP . 52893 1
11 . VAL . 52893 1
12 . VAL . 52893 1
13 . THR . 52893 1
14 . ASP . 52893 1
15 . TYR . 52893 1
16 . PRO . 52893 1
17 . LYS . 52893 1
18 . ALA . 52893 1
19 . ALA . 52893 1
20 . ASP . 52893 1
21 . ILE . 52893 1
22 . PHE . 52893 1
23 . ARG . 52893 1
24 . SER . 52893 1
25 . VAL . 52893 1
26 . GLY . 52893 1
27 . ILE . 52893 1
28 . ASP . 52893 1
29 . PHE . 52893 1
30 . ALA . 52893 1
31 . ALA . 52893 1
32 . GLY . 52893 1
33 . GLY . 52893 1
34 . GLN . 52893 1
35 . VAL . 52893 1
36 . SER . 52893 1
37 . ILE . 52893 1
38 . GLU . 52893 1
39 . ALA . 52893 1
40 . ALA . 52893 1
41 . ALA . 52893 1
42 . LEU . 52893 1
43 . GLU . 52893 1
44 . LYS . 52893 1
45 . LYS . 52893 1
46 . ASN . 52893 1
47 . VAL . 52893 1
48 . ASP . 52893 1
49 . LEU . 52893 1
50 . ASN . 52893 1
51 . GLU . 52893 1
52 . LEU . 52893 1
53 . LEU . 52893 1
54 . GLN . 52893 1
55 . ARG . 52893 1
56 . LEU . 52893 1
57 . ASN . 52893 1
58 . ASP . 52893 1
59 . VAL . 52893 1
60 . GLU . 52893 1
61 . GLN . 52893 1
62 . THR . 52893 1
63 . ASN . 52893 1
64 . THR . 52893 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 52893 1
. ILE 2 2 52893 1
. ASN 3 3 52893 1
. LYS 4 4 52893 1
. ASN 5 5 52893 1
. ASP 6 6 52893 1
. ILE 7 7 52893 1
. VAL 8 8 52893 1
. ALA 9 9 52893 1
. ASP 10 10 52893 1
. VAL 11 11 52893 1
. VAL 12 12 52893 1
. THR 13 13 52893 1
. ASP 14 14 52893 1
. TYR 15 15 52893 1
. PRO 16 16 52893 1
. LYS 17 17 52893 1
. ALA 18 18 52893 1
. ALA 19 19 52893 1
. ASP 20 20 52893 1
. ILE 21 21 52893 1
. PHE 22 22 52893 1
. ARG 23 23 52893 1
. SER 24 24 52893 1
. VAL 25 25 52893 1
. GLY 26 26 52893 1
. ILE 27 27 52893 1
. ASP 28 28 52893 1
. PHE 29 29 52893 1
. ALA 30 30 52893 1
. ALA 31 31 52893 1
. GLY 32 32 52893 1
. GLY 33 33 52893 1
. GLN 34 34 52893 1
. VAL 35 35 52893 1
. SER 36 36 52893 1
. ILE 37 37 52893 1
. GLU 38 38 52893 1
. ALA 39 39 52893 1
. ALA 40 40 52893 1
. ALA 41 41 52893 1
. LEU 42 42 52893 1
. GLU 43 43 52893 1
. LYS 44 44 52893 1
. LYS 45 45 52893 1
. ASN 46 46 52893 1
. VAL 47 47 52893 1
. ASP 48 48 52893 1
. LEU 49 49 52893 1
. ASN 50 50 52893 1
. GLU 51 51 52893 1
. LEU 52 52 52893 1
. LEU 53 53 52893 1
. GLN 54 54 52893 1
. ARG 55 55 52893 1
. LEU 56 56 52893 1
. ASN 57 57 52893 1
. ASP 58 58 52893 1
. VAL 59 59 52893 1
. GLU 60 60 52893 1
. GLN 61 61 52893 1
. THR 62 62 52893 1
. ASN 63 63 52893 1
. THR 64 64 52893 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 52893
_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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 52893 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 52893
_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-28a . . . 52893 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52893
_Sample.ID 1
_Sample.Name ScdA-N
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 ScdA-N '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.16 . . mM . . . . 52893 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 52893
_Sample_condition_list.ID 1
_Sample_condition_list.Name normal
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 7 . pH 52893 1
pressure 1 . atm 52893 1
temperature 298 . K 52893 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52893
_Software.ID 1
_Software.Type .
_Software.Name SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52893 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52893
_Software.ID 2
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 52893 2
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 52893
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker spectrospin 850'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 850
save_
save_NMR_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_2
_NMR_spectrometer.Entry_ID 52893
_NMR_spectrometer.ID 2
_NMR_spectrometer.Name 'Bruker spectrospin 600'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_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 52893
_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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52893 1
2 '3D CBCA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
3 '3D CBCANH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
4 '3D C(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
5 '3D HBHA(CO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
6 '3D HN(CO)CA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
7 '3D HCCH-TOCSY' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
8 '3D HNCA' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
9 '3D H(CCO)NH' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 1
10 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 52893 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 52893
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 1H-13C-15N
_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 na indirect 0.25145 . . . . . 52893 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52893 1
N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.1013 . . . . . 52893 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 52893
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_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' . . . 52893 1
2 '3D CBCA(CO)NH' . . . 52893 1
3 '3D CBCANH' . . . 52893 1
4 '3D C(CO)NH' . . . 52893 1
5 '3D HBHA(CO)NH' . . . 52893 1
6 '3D HN(CO)CA' . . . 52893 1
7 '3D HCCH-TOCSY' . . . 52893 1
8 '3D HNCA' . . . 52893 1
9 '3D H(CCO)NH' . . . 52893 1
10 '3D HNCO' . . . 52893 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52893 1
2 $software_2 . . 52893 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 MET H H 1 8.409 0.01 . 1 . . . . . 1 MET H . 52893 1
2 . 1 . 1 1 1 MET HA H 1 4.357 0.02 . 1 . . . . . 1 MET HA . 52893 1
3 . 1 . 1 1 1 MET HB2 H 1 2.013 0.02 . 2 . . . . . 1 MET HB2 . 52893 1
4 . 1 . 1 1 1 MET HB3 H 1 2.013 0.02 . 2 . . . . . 1 MET HB3 . 52893 1
5 . 1 . 1 1 1 MET HG2 H 1 2.463 0.02 . 2 . . . . . 1 MET HG2 . 52893 1
6 . 1 . 1 1 1 MET HG3 H 1 2.463 0.02 . 2 . . . . . 1 MET HG3 . 52893 1
7 . 1 . 1 1 1 MET C C 13 175.8 0.20 . 1 . . . . . 1 MET C . 52893 1
8 . 1 . 1 1 1 MET CA C 13 55.60 0.06 . 1 . . . . . 1 MET CA . 52893 1
9 . 1 . 1 1 1 MET CB C 13 32.17 0.21 . 1 . . . . . 1 MET CB . 52893 1
10 . 1 . 1 1 1 MET N N 15 121.7 0.18 . 1 . . . . . 1 MET N . 52893 1
11 . 1 . 1 2 2 ILE H H 1 9.303 0.01 . 1 . . . . . 2 ILE H . 52893 1
12 . 1 . 1 2 2 ILE HA H 1 4.111 0.02 . 1 . . . . . 2 ILE HA . 52893 1
13 . 1 . 1 2 2 ILE HB H 1 1.336 0.02 . 1 . . . . . 2 ILE HB . 52893 1
14 . 1 . 1 2 2 ILE HG12 H 1 1.332 0.02 . 2 . . . . . 2 ILE HG12 . 52893 1
15 . 1 . 1 2 2 ILE HG13 H 1 0.923 0.02 . 2 . . . . . 2 ILE HG13 . 52893 1
16 . 1 . 1 2 2 ILE HG21 H 1 0.866 0.02 . 1 . . . . . 2 ILE MG . 52893 1
17 . 1 . 1 2 2 ILE HG22 H 1 0.866 0.02 . 1 . . . . . 2 ILE MG . 52893 1
18 . 1 . 1 2 2 ILE HG23 H 1 0.866 0.02 . 1 . . . . . 2 ILE MG . 52893 1
19 . 1 . 1 2 2 ILE HD11 H 1 0.285 0.02 . 1 . . . . . 2 ILE MD . 52893 1
20 . 1 . 1 2 2 ILE HD12 H 1 0.285 0.02 . 1 . . . . . 2 ILE MD . 52893 1
21 . 1 . 1 2 2 ILE HD13 H 1 0.285 0.02 . 1 . . . . . 2 ILE MD . 52893 1
22 . 1 . 1 2 2 ILE C C 13 175.8 0.20 . 1 . . . . . 2 ILE C . 52893 1
23 . 1 . 1 2 2 ILE CA C 13 62.00 0.20 . 1 . . . . . 2 ILE CA . 52893 1
24 . 1 . 1 2 2 ILE CB C 13 38.57 0.10 . 1 . . . . . 2 ILE CB . 52893 1
25 . 1 . 1 2 2 ILE CG1 C 13 28.47 0.20 . 1 . . . . . 2 ILE CG1 . 52893 1
26 . 1 . 1 2 2 ILE CG2 C 13 18.68 0.20 . 1 . . . . . 2 ILE CG2 . 52893 1
27 . 1 . 1 2 2 ILE CD1 C 13 14.08 0.04 . 1 . . . . . 2 ILE CD1 . 52893 1
28 . 1 . 1 2 2 ILE N N 15 126.5 0.20 . 1 . . . . . 2 ILE N . 52893 1
29 . 1 . 1 3 3 ASN H H 1 9.365 0.01 . 1 . . . . . 3 ASN H . 52893 1
30 . 1 . 1 3 3 ASN HA H 1 5.012 0.02 . 1 . . . . . 3 ASN HA . 52893 1
31 . 1 . 1 3 3 ASN HB2 H 1 2.890 0.02 . 2 . . . . . 3 ASN HB2 . 52893 1
32 . 1 . 1 3 3 ASN HB3 H 1 2.701 0.02 . 2 . . . . . 3 ASN HB3 . 52893 1
33 . 1 . 1 3 3 ASN HD21 H 1 7.751 0.02 . 2 . . . . . 3 ASN HD21 . 52893 1
34 . 1 . 1 3 3 ASN HD22 H 1 6.790 0.02 . 2 . . . . . 3 ASN HD22 . 52893 1
35 . 1 . 1 3 3 ASN C C 13 175.4 0.20 . 1 . . . . . 3 ASN C . 52893 1
36 . 1 . 1 3 3 ASN CA C 13 51.88 0.20 . 1 . . . . . 3 ASN CA . 52893 1
37 . 1 . 1 3 3 ASN CB C 13 42.70 0.07 . 1 . . . . . 3 ASN CB . 52893 1
38 . 1 . 1 3 3 ASN N N 15 127.3 0.03 . 1 . . . . . 3 ASN N . 52893 1
39 . 1 . 1 3 3 ASN ND2 N 15 115.4 0.01 . 1 . . . . . 3 ASN ND2 . 52893 1
40 . 1 . 1 4 4 LYS H H 1 8.904 0.02 . 1 . . . . . 4 LYS H . 52893 1
41 . 1 . 1 4 4 LYS HA H 1 3.977 0.02 . 1 . . . . . 4 LYS HA . 52893 1
42 . 1 . 1 4 4 LYS HB2 H 1 1.886 0.02 . 2 . . . . . 4 LYS HB2 . 52893 1
43 . 1 . 1 4 4 LYS HB3 H 1 1.886 0.02 . 2 . . . . . 4 LYS HB3 . 52893 1
44 . 1 . 1 4 4 LYS HG2 H 1 1.459 0.02 . 2 . . . . . 4 LYS HG2 . 52893 1
45 . 1 . 1 4 4 LYS HG3 H 1 1.275 0.02 . 2 . . . . . 4 LYS HG3 . 52893 1
46 . 1 . 1 4 4 LYS HD2 H 1 1.676 0.02 . 2 . . . . . 4 LYS HD2 . 52893 1
47 . 1 . 1 4 4 LYS HD3 H 1 1.676 0.02 . 2 . . . . . 4 LYS HD3 . 52893 1
48 . 1 . 1 4 4 LYS HE2 H 1 2.973 0.01 . 2 . . . . . 4 LYS HE2 . 52893 1
49 . 1 . 1 4 4 LYS HE3 H 1 2.965 0.02 . 2 . . . . . 4 LYS HE3 . 52893 1
50 . 1 . 1 4 4 LYS C C 13 174.2 0.20 . 1 . . . . . 4 LYS C . 52893 1
51 . 1 . 1 4 4 LYS CA C 13 58.94 0.01 . 1 . . . . . 4 LYS CA . 52893 1
52 . 1 . 1 4 4 LYS CB C 13 32.59 0.19 . 1 . . . . . 4 LYS CB . 52893 1
53 . 1 . 1 4 4 LYS CG C 13 23.70 0.20 . 1 . . . . . 4 LYS CG . 52893 1
54 . 1 . 1 4 4 LYS CD C 13 29.48 0.20 . 1 . . . . . 4 LYS CD . 52893 1
55 . 1 . 1 4 4 LYS CE C 13 42.43 0.20 . 1 . . . . . 4 LYS CE . 52893 1
56 . 1 . 1 4 4 LYS N N 15 117.3 0.20 . 1 . . . . . 4 LYS N . 52893 1
57 . 1 . 1 5 5 ASN H H 1 8.486 0.02 . 1 . . . . . 5 ASN H . 52893 1
58 . 1 . 1 5 5 ASN HA H 1 4.861 0.01 . 1 . . . . . 5 ASN HA . 52893 1
59 . 1 . 1 5 5 ASN HB2 H 1 2.901 0.02 . 2 . . . . . 5 ASN HB2 . 52893 1
60 . 1 . 1 5 5 ASN HB3 H 1 2.870 0.01 . 2 . . . . . 5 ASN HB3 . 52893 1
61 . 1 . 1 5 5 ASN HD21 H 1 7.598 0.02 . 2 . . . . . 5 ASN HD21 . 52893 1
62 . 1 . 1 5 5 ASN HD22 H 1 7.055 0.02 . 2 . . . . . 5 ASN HD22 . 52893 1
63 . 1 . 1 5 5 ASN C C 13 175.6 0.20 . 1 . . . . . 5 ASN C . 52893 1
64 . 1 . 1 5 5 ASN CA C 13 53.64 0.09 . 1 . . . . . 5 ASN CA . 52893 1
65 . 1 . 1 5 5 ASN CB C 13 38.84 0.08 . 1 . . . . . 5 ASN CB . 52893 1
66 . 1 . 1 5 5 ASN CG C 13 177.7 0.20 . 1 . . . . . 5 ASN CG . 52893 1
67 . 1 . 1 5 5 ASN N N 15 115.3 0.04 . 1 . . . . . 5 ASN N . 52893 1
68 . 1 . 1 5 5 ASN ND2 N 15 113.8 0.29 . 1 . . . . . 5 ASN ND2 . 52893 1
69 . 1 . 1 6 6 ASP H H 1 7.747 0.02 . 1 . . . . . 6 ASP H . 52893 1
70 . 1 . 1 6 6 ASP HA H 1 4.534 0.02 . 1 . . . . . 6 ASP HA . 52893 1
71 . 1 . 1 6 6 ASP HB2 H 1 2.866 0.02 . 2 . . . . . 6 ASP HB2 . 52893 1
72 . 1 . 1 6 6 ASP HB3 H 1 2.543 0.02 . 2 . . . . . 6 ASP HB3 . 52893 1
73 . 1 . 1 6 6 ASP C C 13 174.3 0.20 . 1 . . . . . 6 ASP C . 52893 1
74 . 1 . 1 6 6 ASP CA C 13 55.71 0.06 . 1 . . . . . 6 ASP CA . 52893 1
75 . 1 . 1 6 6 ASP CB C 13 41.43 0.05 . 1 . . . . . 6 ASP CB . 52893 1
76 . 1 . 1 6 6 ASP N N 15 122.6 0.09 . 1 . . . . . 6 ASP N . 52893 1
77 . 1 . 1 7 7 ILE H H 1 8.778 0.02 . 1 . . . . . 7 ILE H . 52893 1
78 . 1 . 1 7 7 ILE HA H 1 4.219 0.02 . 1 . . . . . 7 ILE HA . 52893 1
79 . 1 . 1 7 7 ILE HB H 1 2.195 0.02 . 1 . . . . . 7 ILE HB . 52893 1
80 . 1 . 1 7 7 ILE HG12 H 1 1.638 0.02 . 2 . . . . . 7 ILE HG12 . 52893 1
81 . 1 . 1 7 7 ILE HG13 H 1 1.459 0.00 . 2 . . . . . 7 ILE HG13 . 52893 1
82 . 1 . 1 7 7 ILE HG21 H 1 1.008 0.02 . 1 . . . . . 7 ILE MG . 52893 1
83 . 1 . 1 7 7 ILE HG22 H 1 1.008 0.02 . 1 . . . . . 7 ILE MG . 52893 1
84 . 1 . 1 7 7 ILE HG23 H 1 1.008 0.02 . 1 . . . . . 7 ILE MG . 52893 1
85 . 1 . 1 7 7 ILE HD11 H 1 0.655 0.02 . 1 . . . . . 7 ILE MD . 52893 1
86 . 1 . 1 7 7 ILE HD12 H 1 0.655 0.02 . 1 . . . . . 7 ILE MD . 52893 1
87 . 1 . 1 7 7 ILE HD13 H 1 0.655 0.02 . 1 . . . . . 7 ILE MD . 52893 1
88 . 1 . 1 7 7 ILE C C 13 178.2 0.20 . 1 . . . . . 7 ILE C . 52893 1
89 . 1 . 1 7 7 ILE CA C 13 58.47 0.01 . 1 . . . . . 7 ILE CA . 52893 1
90 . 1 . 1 7 7 ILE CB C 13 35.90 0.20 . 1 . . . . . 7 ILE CB . 52893 1
91 . 1 . 1 7 7 ILE CG1 C 13 27.01 0.20 . 1 . . . . . 7 ILE CG1 . 52893 1
92 . 1 . 1 7 7 ILE CG2 C 13 18.24 0.20 . 1 . . . . . 7 ILE CG2 . 52893 1
93 . 1 . 1 7 7 ILE N N 15 120.8 0.04 . 1 . . . . . 7 ILE N . 52893 1
94 . 1 . 1 8 8 VAL H H 1 8.761 0.02 . 1 . . . . . 8 VAL H . 52893 1
95 . 1 . 1 8 8 VAL HA H 1 3.118 0.02 . 1 . . . . . 8 VAL HA . 52893 1
96 . 1 . 1 8 8 VAL HB H 1 2.123 0.02 . 1 . . . . . 8 VAL HB . 52893 1
97 . 1 . 1 8 8 VAL HG11 H 1 0.660 0.02 . 2 . . . . . 8 VAL MG1 . 52893 1
98 . 1 . 1 8 8 VAL HG12 H 1 0.660 0.02 . 2 . . . . . 8 VAL MG1 . 52893 1
99 . 1 . 1 8 8 VAL HG13 H 1 0.660 0.02 . 2 . . . . . 8 VAL MG1 . 52893 1
100 . 1 . 1 8 8 VAL HG21 H 1 0.053 0.02 . 2 . . . . . 8 VAL MG2 . 52893 1
101 . 1 . 1 8 8 VAL HG22 H 1 0.053 0.02 . 2 . . . . . 8 VAL MG2 . 52893 1
102 . 1 . 1 8 8 VAL HG23 H 1 0.053 0.02 . 2 . . . . . 8 VAL MG2 . 52893 1
103 . 1 . 1 8 8 VAL C C 13 177.4 0.20 . 1 . . . . . 8 VAL C . 52893 1
104 . 1 . 1 8 8 VAL CA C 13 68.04 0.11 . 1 . . . . . 8 VAL CA . 52893 1
105 . 1 . 1 8 8 VAL CB C 13 31.18 0.10 . 1 . . . . . 8 VAL CB . 52893 1
106 . 1 . 1 8 8 VAL CG1 C 13 22.56 0.20 . 2 . . . . . 8 VAL CG1 . 52893 1
107 . 1 . 1 8 8 VAL CG2 C 13 20.14 0.20 . 2 . . . . . 8 VAL CG2 . 52893 1
108 . 1 . 1 8 8 VAL N N 15 128.7 0.20 . 1 . . . . . 8 VAL N . 52893 1
109 . 1 . 1 9 9 ALA H H 1 8.708 0.02 . 1 . . . . . 9 ALA H . 52893 1
110 . 1 . 1 9 9 ALA HA H 1 4.020 0.02 . 1 . . . . . 9 ALA HA . 52893 1
111 . 1 . 1 9 9 ALA HB1 H 1 1.365 0.02 . 1 . . . . . 9 ALA MB . 52893 1
112 . 1 . 1 9 9 ALA HB2 H 1 1.365 0.02 . 1 . . . . . 9 ALA MB . 52893 1
113 . 1 . 1 9 9 ALA HB3 H 1 1.365 0.02 . 1 . . . . . 9 ALA MB . 52893 1
114 . 1 . 1 9 9 ALA C C 13 179.9 0.20 . 1 . . . . . 9 ALA C . 52893 1
115 . 1 . 1 9 9 ALA CA C 13 55.37 0.01 . 1 . . . . . 9 ALA CA . 52893 1
116 . 1 . 1 9 9 ALA CB C 13 19.08 0.01 . 1 . . . . . 9 ALA CB . 52893 1
117 . 1 . 1 9 9 ALA N N 15 117.6 0.02 . 1 . . . . . 9 ALA N . 52893 1
118 . 1 . 1 10 10 ASP H H 1 6.977 0.02 . 1 . . . . . 10 ASP H . 52893 1
119 . 1 . 1 10 10 ASP HA H 1 4.416 0.02 . 1 . . . . . 10 ASP HA . 52893 1
120 . 1 . 1 10 10 ASP HB2 H 1 2.957 0.02 . 2 . . . . . 10 ASP HB2 . 52893 1
121 . 1 . 1 10 10 ASP HB3 H 1 2.867 0.02 . 2 . . . . . 10 ASP HB3 . 52893 1
122 . 1 . 1 10 10 ASP C C 13 178.0 0.20 . 1 . . . . . 10 ASP C . 52893 1
123 . 1 . 1 10 10 ASP CA C 13 56.73 0.16 . 1 . . . . . 10 ASP CA . 52893 1
124 . 1 . 1 10 10 ASP CB C 13 39.86 0.08 . 1 . . . . . 10 ASP CB . 52893 1
125 . 1 . 1 10 10 ASP N N 15 117.9 0.04 . 1 . . . . . 10 ASP N . 52893 1
126 . 1 . 1 11 11 VAL H H 1 8.161 0.02 . 1 . . . . . 11 VAL H . 52893 1
127 . 1 . 1 11 11 VAL HA H 1 3.964 0.02 . 1 . . . . . 11 VAL HA . 52893 1
128 . 1 . 1 11 11 VAL HB H 1 2.508 0.02 . 1 . . . . . 11 VAL HB . 52893 1
129 . 1 . 1 11 11 VAL HG11 H 1 1.188 0.06 . 2 . . . . . 11 VAL MG1 . 52893 1
130 . 1 . 1 11 11 VAL HG12 H 1 1.188 0.06 . 2 . . . . . 11 VAL MG1 . 52893 1
131 . 1 . 1 11 11 VAL HG13 H 1 1.188 0.06 . 2 . . . . . 11 VAL MG1 . 52893 1
132 . 1 . 1 11 11 VAL HG21 H 1 1.084 0.02 . 2 . . . . . 11 VAL MG2 . 52893 1
133 . 1 . 1 11 11 VAL HG22 H 1 1.084 0.02 . 2 . . . . . 11 VAL MG2 . 52893 1
134 . 1 . 1 11 11 VAL HG23 H 1 1.084 0.02 . 2 . . . . . 11 VAL MG2 . 52893 1
135 . 1 . 1 11 11 VAL C C 13 177.7 0.20 . 1 . . . . . 11 VAL C . 52893 1
136 . 1 . 1 11 11 VAL CA C 13 66.62 0.07 . 1 . . . . . 11 VAL CA . 52893 1
137 . 1 . 1 11 11 VAL CB C 13 31.54 0.13 . 1 . . . . . 11 VAL CB . 52893 1
138 . 1 . 1 11 11 VAL CG1 C 13 24.00 0.20 . 2 . . . . . 11 VAL CG1 . 52893 1
139 . 1 . 1 11 11 VAL CG2 C 13 22.21 0.20 . 2 . . . . . 11 VAL CG2 . 52893 1
140 . 1 . 1 11 11 VAL N N 15 121.9 0.05 . 1 . . . . . 11 VAL N . 52893 1
141 . 1 . 1 12 12 VAL H H 1 7.808 0.01 . 1 . . . . . 12 VAL H . 52893 1
142 . 1 . 1 12 12 VAL HA H 1 3.786 0.02 . 1 . . . . . 12 VAL HA . 52893 1
143 . 1 . 1 12 12 VAL HB H 1 2.022 0.02 . 1 . . . . . 12 VAL HB . 52893 1
144 . 1 . 1 12 12 VAL HG11 H 1 0.829 0.02 . 2 . . . . . 12 VAL MG1 . 52893 1
145 . 1 . 1 12 12 VAL HG12 H 1 0.829 0.02 . 2 . . . . . 12 VAL MG1 . 52893 1
146 . 1 . 1 12 12 VAL HG13 H 1 0.829 0.02 . 2 . . . . . 12 VAL MG1 . 52893 1
147 . 1 . 1 12 12 VAL HG21 H 1 0.751 0.01 . 2 . . . . . 12 VAL MG2 . 52893 1
148 . 1 . 1 12 12 VAL HG22 H 1 0.751 0.01 . 2 . . . . . 12 VAL MG2 . 52893 1
149 . 1 . 1 12 12 VAL HG23 H 1 0.751 0.01 . 2 . . . . . 12 VAL MG2 . 52893 1
150 . 1 . 1 12 12 VAL C C 13 177.4 0.20 . 1 . . . . . 12 VAL C . 52893 1
151 . 1 . 1 12 12 VAL CA C 13 65.54 0.03 . 1 . . . . . 12 VAL CA . 52893 1
152 . 1 . 1 12 12 VAL CB C 13 31.19 0.12 . 1 . . . . . 12 VAL CB . 52893 1
153 . 1 . 1 12 12 VAL CG1 C 13 22.83 0.20 . 2 . . . . . 12 VAL CG1 . 52893 1
154 . 1 . 1 12 12 VAL CG2 C 13 21.98 0.01 . 2 . . . . . 12 VAL CG2 . 52893 1
155 . 1 . 1 12 12 VAL N N 15 115.4 0.04 . 1 . . . . . 12 VAL N . 52893 1
156 . 1 . 1 13 13 THR H H 1 7.582 0.02 . 1 . . . . . 13 THR H . 52893 1
157 . 1 . 1 13 13 THR HA H 1 3.845 0.02 . 1 . . . . . 13 THR HA . 52893 1
158 . 1 . 1 13 13 THR HB H 1 4.346 0.02 . 1 . . . . . 13 THR HB . 52893 1
159 . 1 . 1 13 13 THR HG1 H 1 1.231 0.02 . 1 . . . . . 13 THR HG1 . 52893 1
160 . 1 . 1 13 13 THR HG21 H 1 1.247 0.02 . 1 . . . . . 13 THR MG . 52893 1
161 . 1 . 1 13 13 THR HG22 H 1 1.247 0.02 . 1 . . . . . 13 THR MG . 52893 1
162 . 1 . 1 13 13 THR HG23 H 1 1.247 0.02 . 1 . . . . . 13 THR MG . 52893 1
163 . 1 . 1 13 13 THR C C 13 175.5 0.20 . 1 . . . . . 13 THR C . 52893 1
164 . 1 . 1 13 13 THR CA C 13 66.41 0.05 . 1 . . . . . 13 THR CA . 52893 1
165 . 1 . 1 13 13 THR CB C 13 68.65 0.29 . 1 . . . . . 13 THR CB . 52893 1
166 . 1 . 1 13 13 THR CG2 C 13 21.77 0.05 . 1 . . . . . 13 THR CG2 . 52893 1
167 . 1 . 1 13 13 THR N N 15 116.2 0.02 . 1 . . . . . 13 THR N . 52893 1
168 . 1 . 1 14 14 ASP H H 1 7.618 0.02 . 1 . . . . . 14 ASP H . 52893 1
169 . 1 . 1 14 14 ASP HA H 1 4.324 0.02 . 1 . . . . . 14 ASP HA . 52893 1
170 . 1 . 1 14 14 ASP HB2 H 1 2.454 0.02 . 2 . . . . . 14 ASP HB2 . 52893 1
171 . 1 . 1 14 14 ASP HB3 H 1 1.982 0.02 . 2 . . . . . 14 ASP HB3 . 52893 1
172 . 1 . 1 14 14 ASP C C 13 176.1 0.20 . 1 . . . . . 14 ASP C . 52893 1
173 . 1 . 1 14 14 ASP CA C 13 56.46 0.07 . 1 . . . . . 14 ASP CA . 52893 1
174 . 1 . 1 14 14 ASP CB C 13 41.58 0.05 . 1 . . . . . 14 ASP CB . 52893 1
175 . 1 . 1 14 14 ASP N N 15 120.2 0.04 . 1 . . . . . 14 ASP N . 52893 1
176 . 1 . 1 15 15 TYR H H 1 8.406 0.02 . 1 . . . . . 15 TYR H . 52893 1
177 . 1 . 1 15 15 TYR HA H 1 4.376 0.02 . 1 . . . . . 15 TYR HA . 52893 1
178 . 1 . 1 15 15 TYR HB2 H 1 2.950 0.01 . 2 . . . . . 15 TYR HB2 . 52893 1
179 . 1 . 1 15 15 TYR HB3 H 1 2.762 0.01 . 2 . . . . . 15 TYR HB3 . 52893 1
180 . 1 . 1 15 15 TYR CA C 13 54.65 0.20 . 1 . . . . . 15 TYR CA . 52893 1
181 . 1 . 1 15 15 TYR CB C 13 37.69 0.15 . 1 . . . . . 15 TYR CB . 52893 1
182 . 1 . 1 15 15 TYR N N 15 118.4 0.03 . 1 . . . . . 15 TYR N . 52893 1
183 . 1 . 1 16 16 PRO HA H 1 4.555 0.02 . 1 . . . . . 16 PRO HA . 52893 1
184 . 1 . 1 16 16 PRO HB2 H 1 2.448 0.02 . 2 . . . . . 16 PRO HB2 . 52893 1
185 . 1 . 1 16 16 PRO HB3 H 1 1.940 0.02 . 2 . . . . . 16 PRO HB3 . 52893 1
186 . 1 . 1 16 16 PRO HG2 H 1 2.118 0.02 . 2 . . . . . 16 PRO HG2 . 52893 1
187 . 1 . 1 16 16 PRO HG3 H 1 2.062 0.02 . 2 . . . . . 16 PRO HG3 . 52893 1
188 . 1 . 1 16 16 PRO HD2 H 1 3.735 0.14 . 2 . . . . . 16 PRO HD2 . 52893 1
189 . 1 . 1 16 16 PRO HD3 H 1 3.498 0.02 . 2 . . . . . 16 PRO HD3 . 52893 1
190 . 1 . 1 16 16 PRO C C 13 180.2 0.20 . 1 . . . . . 16 PRO C . 52893 1
191 . 1 . 1 16 16 PRO CA C 13 65.87 0.06 . 1 . . . . . 16 PRO CA . 52893 1
192 . 1 . 1 16 16 PRO CB C 13 32.04 0.16 . 1 . . . . . 16 PRO CB . 52893 1
193 . 1 . 1 16 16 PRO CG C 13 27.41 0.20 . 1 . . . . . 16 PRO CG . 52893 1
194 . 1 . 1 16 16 PRO CD C 13 49.93 0.13 . 1 . . . . . 16 PRO CD . 52893 1
195 . 1 . 1 17 17 LYS H H 1 8.705 0.01 . 1 . . . . . 17 LYS H . 52893 1
196 . 1 . 1 17 17 LYS HA H 1 4.267 0.02 . 1 . . . . . 17 LYS HA . 52893 1
197 . 1 . 1 17 17 LYS HB2 H 1 2.139 0.02 . 2 . . . . . 17 LYS HB2 . 52893 1
198 . 1 . 1 17 17 LYS HB3 H 1 1.865 0.02 . 2 . . . . . 17 LYS HB3 . 52893 1
199 . 1 . 1 17 17 LYS HG2 H 1 1.757 0.03 . 2 . . . . . 17 LYS HG2 . 52893 1
200 . 1 . 1 17 17 LYS HG3 H 1 1.480 0.01 . 2 . . . . . 17 LYS HG3 . 52893 1
201 . 1 . 1 17 17 LYS HD2 H 1 1.703 0.01 . 2 . . . . . 17 LYS HD2 . 52893 1
202 . 1 . 1 17 17 LYS HD3 H 1 1.478 0.02 . 2 . . . . . 17 LYS HD3 . 52893 1
203 . 1 . 1 17 17 LYS HE2 H 1 3.059 0.01 . 2 . . . . . 17 LYS HE2 . 52893 1
204 . 1 . 1 17 17 LYS HE3 H 1 2.991 0.03 . 2 . . . . . 17 LYS HE3 . 52893 1
205 . 1 . 1 17 17 LYS C C 13 178.2 0.20 . 1 . . . . . 17 LYS C . 52893 1
206 . 1 . 1 17 17 LYS CA C 13 58.10 0.04 . 1 . . . . . 17 LYS CA . 52893 1
207 . 1 . 1 17 17 LYS CB C 13 31.75 0.23 . 1 . . . . . 17 LYS CB . 52893 1
208 . 1 . 1 17 17 LYS CG C 13 25.82 0.20 . 1 . . . . . 17 LYS CG . 52893 1
209 . 1 . 1 17 17 LYS CD C 13 29.12 0.04 . 1 . . . . . 17 LYS CD . 52893 1
210 . 1 . 1 17 17 LYS CE C 13 42.09 0.20 . 1 . . . . . 17 LYS CE . 52893 1
211 . 1 . 1 17 17 LYS N N 15 116.8 0.06 . 1 . . . . . 17 LYS N . 52893 1
212 . 1 . 1 18 18 ALA H H 1 8.979 0.02 . 1 . . . . . 18 ALA H . 52893 1
213 . 1 . 1 18 18 ALA HA H 1 3.734 0.02 . 1 . . . . . 18 ALA HA . 52893 1
214 . 1 . 1 18 18 ALA HB1 H 1 1.346 0.02 . 1 . . . . . 18 ALA MB . 52893 1
215 . 1 . 1 18 18 ALA HB2 H 1 1.346 0.02 . 1 . . . . . 18 ALA MB . 52893 1
216 . 1 . 1 18 18 ALA HB3 H 1 1.346 0.02 . 1 . . . . . 18 ALA MB . 52893 1
217 . 1 . 1 18 18 ALA C C 13 178.8 0.20 . 1 . . . . . 18 ALA C . 52893 1
218 . 1 . 1 18 18 ALA CA C 13 54.48 0.09 . 1 . . . . . 18 ALA CA . 52893 1
219 . 1 . 1 18 18 ALA CB C 13 18.67 0.14 . 1 . . . . . 18 ALA CB . 52893 1
220 . 1 . 1 18 18 ALA N N 15 120.8 0.04 . 1 . . . . . 18 ALA N . 52893 1
221 . 1 . 1 19 19 ALA H H 1 7.836 0.02 . 1 . . . . . 19 ALA H . 52893 1
222 . 1 . 1 19 19 ALA HA H 1 3.517 0.02 . 1 . . . . . 19 ALA HA . 52893 1
223 . 1 . 1 19 19 ALA HB1 H 1 1.245 0.02 . 1 . . . . . 19 ALA MB . 52893 1
224 . 1 . 1 19 19 ALA HB2 H 1 1.245 0.02 . 1 . . . . . 19 ALA MB . 52893 1
225 . 1 . 1 19 19 ALA HB3 H 1 1.245 0.02 . 1 . . . . . 19 ALA MB . 52893 1
226 . 1 . 1 19 19 ALA C C 13 179.0 0.20 . 1 . . . . . 19 ALA C . 52893 1
227 . 1 . 1 19 19 ALA CA C 13 56.24 0.02 . 1 . . . . . 19 ALA CA . 52893 1
228 . 1 . 1 19 19 ALA CB C 13 18.28 0.14 . 1 . . . . . 19 ALA CB . 52893 1
229 . 1 . 1 19 19 ALA N N 15 120.2 0.02 . 1 . . . . . 19 ALA N . 52893 1
230 . 1 . 1 20 20 ASP H H 1 7.640 0.01 . 1 . . . . . 20 ASP H . 52893 1
231 . 1 . 1 20 20 ASP HA H 1 4.452 0.02 . 1 . . . . . 20 ASP HA . 52893 1
232 . 1 . 1 20 20 ASP HB2 H 1 2.859 0.02 . 2 . . . . . 20 ASP HB2 . 52893 1
233 . 1 . 1 20 20 ASP HB3 H 1 2.692 0.01 . 2 . . . . . 20 ASP HB3 . 52893 1
234 . 1 . 1 20 20 ASP C C 13 179.2 0.20 . 1 . . . . . 20 ASP C . 52893 1
235 . 1 . 1 20 20 ASP CA C 13 57.23 0.03 . 1 . . . . . 20 ASP CA . 52893 1
236 . 1 . 1 20 20 ASP CB C 13 40.52 0.08 . 1 . . . . . 20 ASP CB . 52893 1
237 . 1 . 1 20 20 ASP N N 15 115.2 0.03 . 1 . . . . . 20 ASP N . 52893 1
238 . 1 . 1 21 21 ILE H H 1 7.088 0.02 . 1 . . . . . 21 ILE H . 52893 1
239 . 1 . 1 21 21 ILE HA H 1 3.661 0.00 . 1 . . . . . 21 ILE HA . 52893 1
240 . 1 . 1 21 21 ILE HB H 1 1.624 0.02 . 1 . . . . . 21 ILE HB . 52893 1
241 . 1 . 1 21 21 ILE HG12 H 1 1.536 0.02 . 2 . . . . . 21 ILE HG12 . 52893 1
242 . 1 . 1 21 21 ILE HG13 H 1 1.054 0.03 . 2 . . . . . 21 ILE HG13 . 52893 1
243 . 1 . 1 21 21 ILE HG21 H 1 0.441 0.02 . 1 . . . . . 21 ILE MG . 52893 1
244 . 1 . 1 21 21 ILE HG22 H 1 0.441 0.02 . 1 . . . . . 21 ILE MG . 52893 1
245 . 1 . 1 21 21 ILE HG23 H 1 0.441 0.02 . 1 . . . . . 21 ILE MG . 52893 1
246 . 1 . 1 21 21 ILE HD11 H 1 0.622 0.01 . 1 . . . . . 21 ILE MD . 52893 1
247 . 1 . 1 21 21 ILE HD12 H 1 0.622 0.01 . 1 . . . . . 21 ILE MD . 52893 1
248 . 1 . 1 21 21 ILE HD13 H 1 0.622 0.01 . 1 . . . . . 21 ILE MD . 52893 1
249 . 1 . 1 21 21 ILE C C 13 179.7 0.20 . 1 . . . . . 21 ILE C . 52893 1
250 . 1 . 1 21 21 ILE CA C 13 64.31 0.08 . 1 . . . . . 21 ILE CA . 52893 1
251 . 1 . 1 21 21 ILE CB C 13 36.70 0.09 . 1 . . . . . 21 ILE CB . 52893 1
252 . 1 . 1 21 21 ILE CG1 C 13 27.35 0.20 . 1 . . . . . 21 ILE CG1 . 52893 1
253 . 1 . 1 21 21 ILE CG2 C 13 17.31 0.05 . 1 . . . . . 21 ILE CG2 . 52893 1
254 . 1 . 1 21 21 ILE CD1 C 13 13.45 0.20 . 1 . . . . . 21 ILE CD1 . 52893 1
255 . 1 . 1 21 21 ILE N N 15 121.0 0.04 . 1 . . . . . 21 ILE N . 52893 1
256 . 1 . 1 22 22 PHE H H 1 8.283 0.01 . 1 . . . . . 22 PHE H . 52893 1
257 . 1 . 1 22 22 PHE HA H 1 4.394 0.02 . 1 . . . . . 22 PHE HA . 52893 1
258 . 1 . 1 22 22 PHE HB2 H 1 3.557 0.02 . 2 . . . . . 22 PHE HB2 . 52893 1
259 . 1 . 1 22 22 PHE HB3 H 1 3.057 0.02 . 2 . . . . . 22 PHE HB3 . 52893 1
260 . 1 . 1 22 22 PHE C C 13 178.5 0.20 . 1 . . . . . 22 PHE C . 52893 1
261 . 1 . 1 22 22 PHE CA C 13 61.90 0.08 . 1 . . . . . 22 PHE CA . 52893 1
262 . 1 . 1 22 22 PHE CB C 13 37.40 0.14 . 1 . . . . . 22 PHE CB . 52893 1
263 . 1 . 1 22 22 PHE N N 15 119.1 0.11 . 1 . . . . . 22 PHE N . 52893 1
264 . 1 . 1 23 23 ARG H H 1 8.880 0.02 . 1 . . . . . 23 ARG H . 52893 1
265 . 1 . 1 23 23 ARG HA H 1 4.324 0.02 . 1 . . . . . 23 ARG HA . 52893 1
266 . 1 . 1 23 23 ARG HB2 H 1 2.213 0.02 . 2 . . . . . 23 ARG HB2 . 52893 1
267 . 1 . 1 23 23 ARG HB3 H 1 1.986 0.09 . 2 . . . . . 23 ARG HB3 . 52893 1
268 . 1 . 1 23 23 ARG HG2 H 1 2.032 0.02 . 2 . . . . . 23 ARG HG2 . 52893 1
269 . 1 . 1 23 23 ARG HG3 H 1 1.818 0.02 . 2 . . . . . 23 ARG HG3 . 52893 1
270 . 1 . 1 23 23 ARG HD2 H 1 3.380 0.01 . 2 . . . . . 23 ARG HD2 . 52893 1
271 . 1 . 1 23 23 ARG HD3 H 1 3.373 0.02 . 2 . . . . . 23 ARG HD3 . 52893 1
272 . 1 . 1 23 23 ARG C C 13 180.5 0.20 . 1 . . . . . 23 ARG C . 52893 1
273 . 1 . 1 23 23 ARG CA C 13 59.99 0.01 . 1 . . . . . 23 ARG CA . 52893 1
274 . 1 . 1 23 23 ARG CB C 13 30.22 0.16 . 1 . . . . . 23 ARG CB . 52893 1
275 . 1 . 1 23 23 ARG CG C 13 28.00 0.20 . 1 . . . . . 23 ARG CG . 52893 1
276 . 1 . 1 23 23 ARG CD C 13 43.45 0.02 . 1 . . . . . 23 ARG CD . 52893 1
277 . 1 . 1 23 23 ARG N N 15 119.1 0.11 . 1 . . . . . 23 ARG N . 52893 1
278 . 1 . 1 24 24 SER H H 1 7.956 0.02 . 1 . . . . . 24 SER H . 52893 1
279 . 1 . 1 24 24 SER HA H 1 4.371 0.01 . 1 . . . . . 24 SER HA . 52893 1
280 . 1 . 1 24 24 SER HB2 H 1 4.168 0.02 . 2 . . . . . 24 SER HB2 . 52893 1
281 . 1 . 1 24 24 SER HB3 H 1 3.805 0.02 . 2 . . . . . 24 SER HB3 . 52893 1
282 . 1 . 1 24 24 SER C C 13 175.6 0.20 . 1 . . . . . 24 SER C . 52893 1
283 . 1 . 1 24 24 SER CA C 13 61.73 0.10 . 1 . . . . . 24 SER CA . 52893 1
284 . 1 . 1 24 24 SER CB C 13 63.46 0.14 . 1 . . . . . 24 SER CB . 52893 1
285 . 1 . 1 24 24 SER N N 15 119.6 0.01 . 1 . . . . . 24 SER N . 52893 1
286 . 1 . 1 25 25 VAL H H 1 7.304 0.02 . 1 . . . . . 25 VAL H . 52893 1
287 . 1 . 1 25 25 VAL HA H 1 4.764 0.01 . 1 . . . . . 25 VAL HA . 52893 1
288 . 1 . 1 25 25 VAL HB H 1 2.711 0.02 . 1 . . . . . 25 VAL HB . 52893 1
289 . 1 . 1 25 25 VAL HG11 H 1 1.108 0.02 . 2 . . . . . 25 VAL MG1 . 52893 1
290 . 1 . 1 25 25 VAL HG12 H 1 1.108 0.02 . 2 . . . . . 25 VAL MG1 . 52893 1
291 . 1 . 1 25 25 VAL HG13 H 1 1.108 0.02 . 2 . . . . . 25 VAL MG1 . 52893 1
292 . 1 . 1 25 25 VAL HG21 H 1 1.015 0.01 . 2 . . . . . 25 VAL MG2 . 52893 1
293 . 1 . 1 25 25 VAL HG22 H 1 1.015 0.01 . 2 . . . . . 25 VAL MG2 . 52893 1
294 . 1 . 1 25 25 VAL HG23 H 1 1.015 0.01 . 2 . . . . . 25 VAL MG2 . 52893 1
295 . 1 . 1 25 25 VAL C C 13 175.8 0.20 . 1 . . . . . 25 VAL C . 52893 1
296 . 1 . 1 25 25 VAL CA C 13 60.54 0.01 . 1 . . . . . 25 VAL CA . 52893 1
297 . 1 . 1 25 25 VAL CB C 13 31.38 0.20 . 1 . . . . . 25 VAL CB . 52893 1
298 . 1 . 1 25 25 VAL CG1 C 13 21.46 0.20 . 2 . . . . . 25 VAL CG1 . 52893 1
299 . 1 . 1 25 25 VAL CG2 C 13 19.67 0.20 . 2 . . . . . 25 VAL CG2 . 52893 1
300 . 1 . 1 25 25 VAL N N 15 112.2 0.04 . 1 . . . . . 25 VAL N . 52893 1
301 . 1 . 1 26 26 GLY H H 1 7.871 0.02 . 1 . . . . . 26 GLY H . 52893 1
302 . 1 . 1 26 26 GLY HA2 H 1 4.038 0.02 . 2 . . . . . 26 GLY HA2 . 52893 1
303 . 1 . 1 26 26 GLY HA3 H 1 3.916 0.02 . 2 . . . . . 26 GLY HA3 . 52893 1
304 . 1 . 1 26 26 GLY C C 13 175.0 0.20 . 1 . . . . . 26 GLY C . 52893 1
305 . 1 . 1 26 26 GLY CA C 13 46.34 0.03 . 1 . . . . . 26 GLY CA . 52893 1
306 . 1 . 1 26 26 GLY N N 15 109.0 0.04 . 1 . . . . . 26 GLY N . 52893 1
307 . 1 . 1 27 27 ILE H H 1 8.067 0.02 . 1 . . . . . 27 ILE H . 52893 1
308 . 1 . 1 27 27 ILE HA H 1 4.060 0.02 . 1 . . . . . 27 ILE HA . 52893 1
309 . 1 . 1 27 27 ILE HB H 1 1.697 0.02 . 1 . . . . . 27 ILE HB . 52893 1
310 . 1 . 1 27 27 ILE HG12 H 1 1.691 0.02 . 2 . . . . . 27 ILE HG12 . 52893 1
311 . 1 . 1 27 27 ILE HG13 H 1 0.945 0.02 . 2 . . . . . 27 ILE HG13 . 52893 1
312 . 1 . 1 27 27 ILE HG21 H 1 0.550 0.03 . 1 . . . . . 27 ILE MG . 52893 1
313 . 1 . 1 27 27 ILE HG22 H 1 0.550 0.03 . 1 . . . . . 27 ILE MG . 52893 1
314 . 1 . 1 27 27 ILE HG23 H 1 0.550 0.03 . 1 . . . . . 27 ILE MG . 52893 1
315 . 1 . 1 27 27 ILE HD11 H 1 0.843 0.02 . 1 . . . . . 27 ILE MD . 52893 1
316 . 1 . 1 27 27 ILE HD12 H 1 0.843 0.02 . 1 . . . . . 27 ILE MD . 52893 1
317 . 1 . 1 27 27 ILE HD13 H 1 0.843 0.02 . 1 . . . . . 27 ILE MD . 52893 1
318 . 1 . 1 27 27 ILE C C 13 174.6 0.20 . 1 . . . . . 27 ILE C . 52893 1
319 . 1 . 1 27 27 ILE CA C 13 61.47 0.03 . 1 . . . . . 27 ILE CA . 52893 1
320 . 1 . 1 27 27 ILE CB C 13 40.13 0.99 . 1 . . . . . 27 ILE CB . 52893 1
321 . 1 . 1 27 27 ILE CG1 C 13 28.66 0.07 . 1 . . . . . 27 ILE CG1 . 52893 1
322 . 1 . 1 27 27 ILE CG2 C 13 16.32 0.20 . 1 . . . . . 27 ILE CG2 . 52893 1
323 . 1 . 1 27 27 ILE CD1 C 13 13.96 0.06 . 1 . . . . . 27 ILE CD1 . 52893 1
324 . 1 . 1 27 27 ILE N N 15 121.0 0.04 . 1 . . . . . 27 ILE N . 52893 1
325 . 1 . 1 28 28 ASP H H 1 8.648 0.02 . 1 . . . . . 28 ASP H . 52893 1
326 . 1 . 1 28 28 ASP HA H 1 4.364 0.02 . 1 . . . . . 28 ASP HA . 52893 1
327 . 1 . 1 28 28 ASP HB2 H 1 2.722 0.02 . 2 . . . . . 28 ASP HB2 . 52893 1
328 . 1 . 1 28 28 ASP HB3 H 1 2.493 0.02 . 2 . . . . . 28 ASP HB3 . 52893 1
329 . 1 . 1 28 28 ASP C C 13 175.3 0.20 . 1 . . . . . 28 ASP C . 52893 1
330 . 1 . 1 28 28 ASP CA C 13 53.13 0.06 . 1 . . . . . 28 ASP CA . 52893 1
331 . 1 . 1 28 28 ASP CB C 13 40.85 0.07 . 1 . . . . . 28 ASP CB . 52893 1
332 . 1 . 1 28 28 ASP N N 15 129.0 0.17 . 1 . . . . . 28 ASP N . 52893 1
333 . 1 . 1 29 29 PHE H H 1 7.316 0.02 . 1 . . . . . 29 PHE H . 52893 1
334 . 1 . 1 29 29 PHE HA H 1 4.237 0.02 . 1 . . . . . 29 PHE HA . 52893 1
335 . 1 . 1 29 29 PHE HB2 H 1 3.124 0.02 . 2 . . . . . 29 PHE HB2 . 52893 1
336 . 1 . 1 29 29 PHE HB3 H 1 2.255 0.02 . 2 . . . . . 29 PHE HB3 . 52893 1
337 . 1 . 1 29 29 PHE C C 13 174.2 0.20 . 1 . . . . . 29 PHE C . 52893 1
338 . 1 . 1 29 29 PHE CA C 13 56.22 0.20 . 1 . . . . . 29 PHE CA . 52893 1
339 . 1 . 1 29 29 PHE CB C 13 39.28 0.16 . 1 . . . . . 29 PHE CB . 52893 1
340 . 1 . 1 29 29 PHE N N 15 120.8 0.04 . 1 . . . . . 29 PHE N . 52893 1
341 . 1 . 1 30 30 ALA H H 1 7.629 0.02 . 1 . . . . . 30 ALA H . 52893 1
342 . 1 . 1 30 30 ALA HA H 1 4.291 0.02 . 1 . . . . . 30 ALA HA . 52893 1
343 . 1 . 1 30 30 ALA HB1 H 1 1.163 0.02 . 1 . . . . . 30 ALA MB . 52893 1
344 . 1 . 1 30 30 ALA HB2 H 1 1.163 0.02 . 1 . . . . . 30 ALA MB . 52893 1
345 . 1 . 1 30 30 ALA HB3 H 1 1.163 0.02 . 1 . . . . . 30 ALA MB . 52893 1
346 . 1 . 1 30 30 ALA C C 13 177.8 0.20 . 1 . . . . . 30 ALA C . 52893 1
347 . 1 . 1 30 30 ALA CA C 13 52.56 0.14 . 1 . . . . . 30 ALA CA . 52893 1
348 . 1 . 1 30 30 ALA CB C 13 18.40 0.03 . 1 . . . . . 30 ALA CB . 52893 1
349 . 1 . 1 30 30 ALA N N 15 126.2 0.02 . 1 . . . . . 30 ALA N . 52893 1
350 . 1 . 1 31 31 ALA H H 1 7.788 0.02 . 1 . . . . . 31 ALA H . 52893 1
351 . 1 . 1 31 31 ALA HA H 1 4.219 0.02 . 1 . . . . . 31 ALA HA . 52893 1
352 . 1 . 1 31 31 ALA HB1 H 1 1.361 0.02 . 1 . . . . . 31 ALA MB . 52893 1
353 . 1 . 1 31 31 ALA HB2 H 1 1.361 0.02 . 1 . . . . . 31 ALA MB . 52893 1
354 . 1 . 1 31 31 ALA HB3 H 1 1.361 0.02 . 1 . . . . . 31 ALA MB . 52893 1
355 . 1 . 1 31 31 ALA C C 13 178.6 0.20 . 1 . . . . . 31 ALA C . 52893 1
356 . 1 . 1 31 31 ALA CA C 13 53.49 0.01 . 1 . . . . . 31 ALA CA . 52893 1
357 . 1 . 1 31 31 ALA CB C 13 18.55 0.15 . 1 . . . . . 31 ALA CB . 52893 1
358 . 1 . 1 31 31 ALA N N 15 122.9 0.01 . 1 . . . . . 31 ALA N . 52893 1
359 . 1 . 1 32 32 GLY H H 1 7.862 0.02 . 1 . . . . . 32 GLY H . 52893 1
360 . 1 . 1 32 32 GLY HA2 H 1 4.172 0.02 . 2 . . . . . 32 GLY HA2 . 52893 1
361 . 1 . 1 32 32 GLY HA3 H 1 3.723 0.02 . 2 . . . . . 32 GLY HA3 . 52893 1
362 . 1 . 1 32 32 GLY C C 13 175.2 0.20 . 1 . . . . . 32 GLY C . 52893 1
363 . 1 . 1 32 32 GLY CA C 13 45.63 0.43 . 1 . . . . . 32 GLY CA . 52893 1
364 . 1 . 1 32 32 GLY N N 15 106.8 0.04 . 1 . . . . . 32 GLY N . 52893 1
365 . 1 . 1 33 33 GLY H H 1 7.872 0.02 . 1 . . . . . 33 GLY H . 52893 1
366 . 1 . 1 33 33 GLY HA2 H 1 3.908 0.02 . 2 . . . . . 33 GLY HA2 . 52893 1
367 . 1 . 1 33 33 GLY HA3 H 1 3.724 0.02 . 2 . . . . . 33 GLY HA3 . 52893 1
368 . 1 . 1 33 33 GLY C C 13 174.6 0.20 . 1 . . . . . 33 GLY C . 52893 1
369 . 1 . 1 33 33 GLY CA C 13 45.96 0.46 . 1 . . . . . 33 GLY CA . 52893 1
370 . 1 . 1 33 33 GLY N N 15 106.0 0.05 . 1 . . . . . 33 GLY N . 52893 1
371 . 1 . 1 34 34 GLN H H 1 8.532 0.02 . 1 . . . . . 34 GLN H . 52893 1
372 . 1 . 1 34 34 GLN HA H 1 4.413 0.02 . 1 . . . . . 34 GLN HA . 52893 1
373 . 1 . 1 34 34 GLN HB2 H 1 2.216 0.02 . 2 . . . . . 34 GLN HB2 . 52893 1
374 . 1 . 1 34 34 GLN HB3 H 1 1.964 0.02 . 2 . . . . . 34 GLN HB3 . 52893 1
375 . 1 . 1 34 34 GLN HE21 H 1 7.459 0.02 . 2 . . . . . 34 GLN HE21 . 52893 1
376 . 1 . 1 34 34 GLN HE22 H 1 6.937 0.02 . 2 . . . . . 34 GLN HE22 . 52893 1
377 . 1 . 1 34 34 GLN C C 13 175.1 0.20 . 1 . . . . . 34 GLN C . 52893 1
378 . 1 . 1 34 34 GLN CA C 13 54.69 0.01 . 1 . . . . . 34 GLN CA . 52893 1
379 . 1 . 1 34 34 GLN CB C 13 26.66 0.08 . 1 . . . . . 34 GLN CB . 52893 1
380 . 1 . 1 34 34 GLN CG C 13 33.54 0.20 . 1 . . . . . 34 GLN CG . 52893 1
381 . 1 . 1 34 34 GLN CD C 13 180.3 0.20 . 1 . . . . . 34 GLN CD . 52893 1
382 . 1 . 1 34 34 GLN N N 15 122.1 0.01 . 1 . . . . . 34 GLN N . 52893 1
383 . 1 . 1 34 34 GLN NE2 N 15 112.7 0.20 . 1 . . . . . 34 GLN NE2 . 52893 1
384 . 1 . 1 35 35 VAL H H 1 7.540 0.02 . 1 . . . . . 35 VAL H . 52893 1
385 . 1 . 1 35 35 VAL HA H 1 4.520 0.02 . 1 . . . . . 35 VAL HA . 52893 1
386 . 1 . 1 35 35 VAL HB H 1 2.149 0.02 . 1 . . . . . 35 VAL HB . 52893 1
387 . 1 . 1 35 35 VAL HG11 H 1 0.907 0.02 . 2 . . . . . 35 VAL MG1 . 52893 1
388 . 1 . 1 35 35 VAL HG12 H 1 0.907 0.02 . 2 . . . . . 35 VAL MG1 . 52893 1
389 . 1 . 1 35 35 VAL HG13 H 1 0.907 0.02 . 2 . . . . . 35 VAL MG1 . 52893 1
390 . 1 . 1 35 35 VAL HG21 H 1 0.907 0.02 . 2 . . . . . 35 VAL MG2 . 52893 1
391 . 1 . 1 35 35 VAL HG22 H 1 0.907 0.02 . 2 . . . . . 35 VAL MG2 . 52893 1
392 . 1 . 1 35 35 VAL HG23 H 1 0.907 0.02 . 2 . . . . . 35 VAL MG2 . 52893 1
393 . 1 . 1 35 35 VAL C C 13 174.3 0.20 . 1 . . . . . 35 VAL C . 52893 1
394 . 1 . 1 35 35 VAL CA C 13 59.62 0.03 . 1 . . . . . 35 VAL CA . 52893 1
395 . 1 . 1 35 35 VAL CB C 13 34.72 0.16 . 1 . . . . . 35 VAL CB . 52893 1
396 . 1 . 1 35 35 VAL CG1 C 13 21.42 0.20 . 2 . . . . . 35 VAL CG1 . 52893 1
397 . 1 . 1 35 35 VAL CG2 C 13 21.42 0.20 . 2 . . . . . 35 VAL CG2 . 52893 1
398 . 1 . 1 35 35 VAL N N 15 116.2 0.02 . 1 . . . . . 35 VAL N . 52893 1
399 . 1 . 1 36 36 SER H H 1 8.659 0.02 . 1 . . . . . 36 SER H . 52893 1
400 . 1 . 1 36 36 SER HA H 1 5.007 0.02 . 1 . . . . . 36 SER HA . 52893 1
401 . 1 . 1 36 36 SER HB2 H 1 4.561 0.02 . 2 . . . . . 36 SER HB2 . 52893 1
402 . 1 . 1 36 36 SER HB3 H 1 4.000 0.02 . 2 . . . . . 36 SER HB3 . 52893 1
403 . 1 . 1 36 36 SER C C 13 174.8 0.20 . 1 . . . . . 36 SER C . 52893 1
404 . 1 . 1 36 36 SER CA C 13 57.20 0.01 . 1 . . . . . 36 SER CA . 52893 1
405 . 1 . 1 36 36 SER CB C 13 65.23 0.04 . 1 . . . . . 36 SER CB . 52893 1
406 . 1 . 1 36 36 SER N N 15 118.8 0.02 . 1 . . . . . 36 SER N . 52893 1
407 . 1 . 1 37 37 ILE H H 1 8.616 0.01 . 1 . . . . . 37 ILE H . 52893 1
408 . 1 . 1 37 37 ILE HA H 1 3.366 0.02 . 1 . . . . . 37 ILE HA . 52893 1
409 . 1 . 1 37 37 ILE HB H 1 1.901 0.02 . 1 . . . . . 37 ILE HB . 52893 1
410 . 1 . 1 37 37 ILE HG12 H 1 0.962 0.02 . 2 . . . . . 37 ILE HG12 . 52893 1
411 . 1 . 1 37 37 ILE HG13 H 1 0.841 0.02 . 2 . . . . . 37 ILE HG13 . 52893 1
412 . 1 . 1 37 37 ILE HG21 H 1 0.840 0.02 . 1 . . . . . 37 ILE MG . 52893 1
413 . 1 . 1 37 37 ILE HG22 H 1 0.840 0.02 . 1 . . . . . 37 ILE MG . 52893 1
414 . 1 . 1 37 37 ILE HG23 H 1 0.840 0.02 . 1 . . . . . 37 ILE MG . 52893 1
415 . 1 . 1 37 37 ILE HD11 H 1 0.845 0.02 . 1 . . . . . 37 ILE MD . 52893 1
416 . 1 . 1 37 37 ILE HD12 H 1 0.845 0.02 . 1 . . . . . 37 ILE MD . 52893 1
417 . 1 . 1 37 37 ILE HD13 H 1 0.845 0.02 . 1 . . . . . 37 ILE MD . 52893 1
418 . 1 . 1 37 37 ILE C C 13 177.5 0.20 . 1 . . . . . 37 ILE C . 52893 1
419 . 1 . 1 37 37 ILE CA C 13 66.64 0.08 . 1 . . . . . 37 ILE CA . 52893 1
420 . 1 . 1 37 37 ILE CB C 13 37.92 0.16 . 1 . . . . . 37 ILE CB . 52893 1
421 . 1 . 1 37 37 ILE CG1 C 13 29.91 0.07 . 1 . . . . . 37 ILE CG1 . 52893 1
422 . 1 . 1 37 37 ILE CG2 C 13 17.75 0.03 . 1 . . . . . 37 ILE CG2 . 52893 1
423 . 1 . 1 37 37 ILE CD1 C 13 14.88 0.20 . 1 . . . . . 37 ILE CD1 . 52893 1
424 . 1 . 1 37 37 ILE N N 15 121.2 0.02 . 1 . . . . . 37 ILE N . 52893 1
425 . 1 . 1 38 38 GLU H H 1 8.722 0.02 . 1 . . . . . 38 GLU H . 52893 1
426 . 1 . 1 38 38 GLU HA H 1 3.898 0.02 . 1 . . . . . 38 GLU HA . 52893 1
427 . 1 . 1 38 38 GLU HB2 H 1 1.938 0.02 . 2 . . . . . 38 GLU HB2 . 52893 1
428 . 1 . 1 38 38 GLU HB3 H 1 1.938 0.02 . 2 . . . . . 38 GLU HB3 . 52893 1
429 . 1 . 1 38 38 GLU HG2 H 1 2.128 0.02 . 2 . . . . . 38 GLU HG2 . 52893 1
430 . 1 . 1 38 38 GLU HG3 H 1 2.128 0.02 . 2 . . . . . 38 GLU HG3 . 52893 1
431 . 1 . 1 38 38 GLU C C 13 177.8 0.20 . 1 . . . . . 38 GLU C . 52893 1
432 . 1 . 1 38 38 GLU CA C 13 59.83 0.01 . 1 . . . . . 38 GLU CA . 52893 1
433 . 1 . 1 38 38 GLU CB C 13 30.28 0.07 . 1 . . . . . 38 GLU CB . 52893 1
434 . 1 . 1 38 38 GLU CG C 13 36.01 0.20 . 1 . . . . . 38 GLU CG . 52893 1
435 . 1 . 1 38 38 GLU N N 15 117.0 0.05 . 1 . . . . . 38 GLU N . 52893 1
436 . 1 . 1 39 39 ALA H H 1 8.162 0.02 . 1 . . . . . 39 ALA H . 52893 1
437 . 1 . 1 39 39 ALA HA H 1 4.029 0.02 . 1 . . . . . 39 ALA HA . 52893 1
438 . 1 . 1 39 39 ALA HB1 H 1 1.514 0.02 . 1 . . . . . 39 ALA MB . 52893 1
439 . 1 . 1 39 39 ALA HB2 H 1 1.514 0.02 . 1 . . . . . 39 ALA MB . 52893 1
440 . 1 . 1 39 39 ALA HB3 H 1 1.514 0.02 . 1 . . . . . 39 ALA MB . 52893 1
441 . 1 . 1 39 39 ALA C C 13 181.0 0.20 . 1 . . . . . 39 ALA C . 52893 1
442 . 1 . 1 39 39 ALA CA C 13 55.25 0.05 . 1 . . . . . 39 ALA CA . 52893 1
443 . 1 . 1 39 39 ALA CB C 13 18.46 0.03 . 1 . . . . . 39 ALA CB . 52893 1
444 . 1 . 1 39 39 ALA N N 15 121.8 0.05 . 1 . . . . . 39 ALA N . 52893 1
445 . 1 . 1 40 40 ALA H H 1 8.701 0.02 . 1 . . . . . 40 ALA H . 52893 1
446 . 1 . 1 40 40 ALA HA H 1 4.129 0.02 . 1 . . . . . 40 ALA HA . 52893 1
447 . 1 . 1 40 40 ALA HB1 H 1 1.394 0.02 . 1 . . . . . 40 ALA MB . 52893 1
448 . 1 . 1 40 40 ALA HB2 H 1 1.394 0.02 . 1 . . . . . 40 ALA MB . 52893 1
449 . 1 . 1 40 40 ALA HB3 H 1 1.394 0.02 . 1 . . . . . 40 ALA MB . 52893 1
450 . 1 . 1 40 40 ALA C C 13 180.6 0.20 . 1 . . . . . 40 ALA C . 52893 1
451 . 1 . 1 40 40 ALA CA C 13 54.48 0.05 . 1 . . . . . 40 ALA CA . 52893 1
452 . 1 . 1 40 40 ALA CB C 13 18.41 0.05 . 1 . . . . . 40 ALA CB . 52893 1
453 . 1 . 1 40 40 ALA N N 15 121.3 0.02 . 1 . . . . . 40 ALA N . 52893 1
454 . 1 . 1 41 41 ALA H H 1 8.636 0.02 . 1 . . . . . 41 ALA H . 52893 1
455 . 1 . 1 41 41 ALA HA H 1 3.918 0.02 . 1 . . . . . 41 ALA HA . 52893 1
456 . 1 . 1 41 41 ALA HB1 H 1 1.414 0.02 . 1 . . . . . 41 ALA MB . 52893 1
457 . 1 . 1 41 41 ALA HB2 H 1 1.414 0.02 . 1 . . . . . 41 ALA MB . 52893 1
458 . 1 . 1 41 41 ALA HB3 H 1 1.414 0.02 . 1 . . . . . 41 ALA MB . 52893 1
459 . 1 . 1 41 41 ALA C C 13 180.3 0.20 . 1 . . . . . 41 ALA C . 52893 1
460 . 1 . 1 41 41 ALA CA C 13 55.13 0.02 . 1 . . . . . 41 ALA CA . 52893 1
461 . 1 . 1 41 41 ALA CB C 13 18.24 0.07 . 1 . . . . . 41 ALA CB . 52893 1
462 . 1 . 1 41 41 ALA N N 15 119.0 0.02 . 1 . . . . . 41 ALA N . 52893 1
463 . 1 . 1 42 42 LEU H H 1 8.342 0.02 . 1 . . . . . 42 LEU H . 52893 1
464 . 1 . 1 42 42 LEU HA H 1 4.142 0.02 . 1 . . . . . 42 LEU HA . 52893 1
465 . 1 . 1 42 42 LEU HB2 H 1 1.880 0.02 . 2 . . . . . 42 LEU HB2 . 52893 1
466 . 1 . 1 42 42 LEU HB3 H 1 1.636 0.02 . 2 . . . . . 42 LEU HB3 . 52893 1
467 . 1 . 1 42 42 LEU HG H 1 1.905 0.02 . 1 . . . . . 42 LEU HG . 52893 1
468 . 1 . 1 42 42 LEU HD11 H 1 0.948 0.02 . 2 . . . . . 42 LEU MD1 . 52893 1
469 . 1 . 1 42 42 LEU HD12 H 1 0.948 0.02 . 2 . . . . . 42 LEU MD1 . 52893 1
470 . 1 . 1 42 42 LEU HD13 H 1 0.948 0.02 . 2 . . . . . 42 LEU MD1 . 52893 1
471 . 1 . 1 42 42 LEU HD21 H 1 0.950 0.01 . 2 . . . . . 42 LEU MD2 . 52893 1
472 . 1 . 1 42 42 LEU HD22 H 1 0.950 0.01 . 2 . . . . . 42 LEU MD2 . 52893 1
473 . 1 . 1 42 42 LEU HD23 H 1 0.950 0.01 . 2 . . . . . 42 LEU MD2 . 52893 1
474 . 1 . 1 42 42 LEU C C 13 179.6 0.20 . 1 . . . . . 42 LEU C . 52893 1
475 . 1 . 1 42 42 LEU CA C 13 57.66 0.03 . 1 . . . . . 42 LEU CA . 52893 1
476 . 1 . 1 42 42 LEU CB C 13 41.75 0.07 . 1 . . . . . 42 LEU CB . 52893 1
477 . 1 . 1 42 42 LEU CG C 13 27.17 0.09 . 1 . . . . . 42 LEU CG . 52893 1
478 . 1 . 1 42 42 LEU CD1 C 13 24.63 0.12 . 2 . . . . . 42 LEU CD1 . 52893 1
479 . 1 . 1 42 42 LEU CD2 C 13 23.45 0.20 . 2 . . . . . 42 LEU CD2 . 52893 1
480 . 1 . 1 42 42 LEU N N 15 119.5 0.02 . 1 . . . . . 42 LEU N . 52893 1
481 . 1 . 1 43 43 GLU H H 1 7.541 0.02 . 1 . . . . . 43 GLU H . 52893 1
482 . 1 . 1 43 43 GLU HA H 1 4.141 0.02 . 1 . . . . . 43 GLU HA . 52893 1
483 . 1 . 1 43 43 GLU HB2 H 1 2.213 0.02 . 2 . . . . . 43 GLU HB2 . 52893 1
484 . 1 . 1 43 43 GLU HB3 H 1 2.130 0.02 . 2 . . . . . 43 GLU HB3 . 52893 1
485 . 1 . 1 43 43 GLU HG2 H 1 2.381 0.02 . 2 . . . . . 43 GLU HG2 . 52893 1
486 . 1 . 1 43 43 GLU HG3 H 1 2.373 0.05 . 2 . . . . . 43 GLU HG3 . 52893 1
487 . 1 . 1 43 43 GLU C C 13 177.4 0.20 . 1 . . . . . 43 GLU C . 52893 1
488 . 1 . 1 43 43 GLU CA C 13 58.01 0.01 . 1 . . . . . 43 GLU CA . 52893 1
489 . 1 . 1 43 43 GLU CB C 13 29.74 0.13 . 1 . . . . . 43 GLU CB . 52893 1
490 . 1 . 1 43 43 GLU CG C 13 36.20 0.20 . 1 . . . . . 43 GLU CG . 52893 1
491 . 1 . 1 43 43 GLU N N 15 117.1 0.03 . 1 . . . . . 43 GLU N . 52893 1
492 . 1 . 1 44 44 LYS H H 1 7.371 0.02 . 1 . . . . . 44 LYS H . 52893 1
493 . 1 . 1 44 44 LYS HA H 1 4.380 0.02 . 1 . . . . . 44 LYS HA . 52893 1
494 . 1 . 1 44 44 LYS HB2 H 1 2.450 0.02 . 2 . . . . . 44 LYS HB2 . 52893 1
495 . 1 . 1 44 44 LYS HB3 H 1 2.027 0.01 . 2 . . . . . 44 LYS HB3 . 52893 1
496 . 1 . 1 44 44 LYS HG2 H 1 1.731 0.02 . 2 . . . . . 44 LYS HG2 . 52893 1
497 . 1 . 1 44 44 LYS HG3 H 1 1.501 0.02 . 2 . . . . . 44 LYS HG3 . 52893 1
498 . 1 . 1 44 44 LYS C C 13 177.3 0.20 . 1 . . . . . 44 LYS C . 52893 1
499 . 1 . 1 44 44 LYS CA C 13 54.69 0.04 . 1 . . . . . 44 LYS CA . 52893 1
500 . 1 . 1 44 44 LYS CB C 13 31.98 0.12 . 1 . . . . . 44 LYS CB . 52893 1
501 . 1 . 1 44 44 LYS CG C 13 23.72 0.20 . 1 . . . . . 44 LYS CG . 52893 1
502 . 1 . 1 44 44 LYS CD C 13 27.51 0.20 . 1 . . . . . 44 LYS CD . 52893 1
503 . 1 . 1 44 44 LYS CE C 13 42.24 0.20 . 1 . . . . . 44 LYS CE . 52893 1
504 . 1 . 1 44 44 LYS N N 15 117.0 0.04 . 1 . . . . . 44 LYS N . 52893 1
505 . 1 . 1 45 45 LYS H H 1 7.867 0.02 . 1 . . . . . 45 LYS H . 52893 1
506 . 1 . 1 45 45 LYS HA H 1 4.100 0.02 . 1 . . . . . 45 LYS HA . 52893 1
507 . 1 . 1 45 45 LYS HB2 H 1 2.137 0.02 . 2 . . . . . 45 LYS HB2 . 52893 1
508 . 1 . 1 45 45 LYS HB3 H 1 1.876 0.02 . 2 . . . . . 45 LYS HB3 . 52893 1
509 . 1 . 1 45 45 LYS HG2 H 1 1.529 0.02 . 2 . . . . . 45 LYS HG2 . 52893 1
510 . 1 . 1 45 45 LYS HG3 H 1 1.529 0.02 . 2 . . . . . 45 LYS HG3 . 52893 1
511 . 1 . 1 45 45 LYS HD2 H 1 1.742 0.02 . 2 . . . . . 45 LYS HD2 . 52893 1
512 . 1 . 1 45 45 LYS HD3 H 1 1.742 0.02 . 2 . . . . . 45 LYS HD3 . 52893 1
513 . 1 . 1 45 45 LYS HE2 H 1 3.072 0.02 . 2 . . . . . 45 LYS HE2 . 52893 1
514 . 1 . 1 45 45 LYS HE3 H 1 3.009 0.02 . 2 . . . . . 45 LYS HE3 . 52893 1
515 . 1 . 1 45 45 LYS C C 13 177.1 0.20 . 1 . . . . . 45 LYS C . 52893 1
516 . 1 . 1 45 45 LYS CA C 13 59.34 0.01 . 1 . . . . . 45 LYS CA . 52893 1
517 . 1 . 1 45 45 LYS CB C 13 31.60 0.11 . 1 . . . . . 45 LYS CB . 52893 1
518 . 1 . 1 45 45 LYS CG C 13 25.05 0.20 . 1 . . . . . 45 LYS CG . 52893 1
519 . 1 . 1 45 45 LYS CD C 13 28.92 0.20 . 1 . . . . . 45 LYS CD . 52893 1
520 . 1 . 1 45 45 LYS CE C 13 42.43 0.20 . 1 . . . . . 45 LYS CE . 52893 1
521 . 1 . 1 45 45 LYS N N 15 115.5 0.06 . 1 . . . . . 45 LYS N . 52893 1
522 . 1 . 1 46 46 ASN H H 1 8.469 0.02 . 1 . . . . . 46 ASN H . 52893 1
523 . 1 . 1 46 46 ASN HA H 1 3.826 0.02 . 1 . . . . . 46 ASN HA . 52893 1
524 . 1 . 1 46 46 ASN HB2 H 1 3.016 0.02 . 2 . . . . . 46 ASN HB2 . 52893 1
525 . 1 . 1 46 46 ASN HB3 H 1 2.839 0.02 . 2 . . . . . 46 ASN HB3 . 52893 1
526 . 1 . 1 46 46 ASN HD21 H 1 7.891 0.02 . 2 . . . . . 46 ASN HD21 . 52893 1
527 . 1 . 1 46 46 ASN HD22 H 1 6.922 0.02 . 2 . . . . . 46 ASN HD22 . 52893 1
528 . 1 . 1 46 46 ASN C C 13 174.8 0.20 . 1 . . . . . 46 ASN C . 52893 1
529 . 1 . 1 46 46 ASN CA C 13 52.98 0.04 . 1 . . . . . 46 ASN CA . 52893 1
530 . 1 . 1 46 46 ASN CB C 13 37.82 0.13 . 1 . . . . . 46 ASN CB . 52893 1
531 . 1 . 1 46 46 ASN CG C 13 176.5 0.20 . 1 . . . . . 46 ASN CG . 52893 1
532 . 1 . 1 46 46 ASN N N 15 116.6 0.04 . 1 . . . . . 46 ASN N . 52893 1
533 . 1 . 1 46 46 ASN ND2 N 15 114.1 0.20 . 1 . . . . . 46 ASN ND2 . 52893 1
534 . 1 . 1 47 47 VAL H H 1 7.925 0.02 . 1 . . . . . 47 VAL H . 52893 1
535 . 1 . 1 47 47 VAL HA H 1 4.115 0.02 . 1 . . . . . 47 VAL HA . 52893 1
536 . 1 . 1 47 47 VAL HB H 1 2.080 0.02 . 1 . . . . . 47 VAL HB . 52893 1
537 . 1 . 1 47 47 VAL HG11 H 1 1.057 0.02 . 2 . . . . . 47 VAL MG1 . 52893 1
538 . 1 . 1 47 47 VAL HG12 H 1 1.057 0.02 . 2 . . . . . 47 VAL MG1 . 52893 1
539 . 1 . 1 47 47 VAL HG13 H 1 1.057 0.02 . 2 . . . . . 47 VAL MG1 . 52893 1
540 . 1 . 1 47 47 VAL HG21 H 1 0.850 0.02 . 2 . . . . . 47 VAL MG2 . 52893 1
541 . 1 . 1 47 47 VAL HG22 H 1 0.850 0.02 . 2 . . . . . 47 VAL MG2 . 52893 1
542 . 1 . 1 47 47 VAL HG23 H 1 0.850 0.02 . 2 . . . . . 47 VAL MG2 . 52893 1
543 . 1 . 1 47 47 VAL C C 13 174.6 0.20 . 1 . . . . . 47 VAL C . 52893 1
544 . 1 . 1 47 47 VAL CA C 13 61.85 0.04 . 1 . . . . . 47 VAL CA . 52893 1
545 . 1 . 1 47 47 VAL CB C 13 33.57 0.13 . 1 . . . . . 47 VAL CB . 52893 1
546 . 1 . 1 47 47 VAL CG1 C 13 22.91 0.20 . 2 . . . . . 47 VAL CG1 . 52893 1
547 . 1 . 1 47 47 VAL CG2 C 13 21.75 0.20 . 2 . . . . . 47 VAL CG2 . 52893 1
548 . 1 . 1 47 47 VAL N N 15 120.3 0.05 . 1 . . . . . 47 VAL N . 52893 1
549 . 1 . 1 48 48 ASP H H 1 8.656 0.02 . 1 . . . . . 48 ASP H . 52893 1
550 . 1 . 1 48 48 ASP HA H 1 4.660 0.02 . 1 . . . . . 48 ASP HA . 52893 1
551 . 1 . 1 48 48 ASP HB2 H 1 2.861 0.02 . 2 . . . . . 48 ASP HB2 . 52893 1
552 . 1 . 1 48 48 ASP HB3 H 1 2.579 0.02 . 2 . . . . . 48 ASP HB3 . 52893 1
553 . 1 . 1 48 48 ASP C C 13 176.1 0.20 . 1 . . . . . 48 ASP C . 52893 1
554 . 1 . 1 48 48 ASP CA C 13 53.17 0.08 . 1 . . . . . 48 ASP CA . 52893 1
555 . 1 . 1 48 48 ASP CB C 13 41.70 0.08 . 1 . . . . . 48 ASP CB . 52893 1
556 . 1 . 1 48 48 ASP N N 15 128.5 0.03 . 1 . . . . . 48 ASP N . 52893 1
557 . 1 . 1 49 49 LEU H H 1 8.863 0.02 . 1 . . . . . 49 LEU H . 52893 1
558 . 1 . 1 49 49 LEU HA H 1 3.831 0.02 . 1 . . . . . 49 LEU HA . 52893 1
559 . 1 . 1 49 49 LEU HB2 H 1 1.830 0.02 . 2 . . . . . 49 LEU HB2 . 52893 1
560 . 1 . 1 49 49 LEU HB3 H 1 1.572 0.02 . 2 . . . . . 49 LEU HB3 . 52893 1
561 . 1 . 1 49 49 LEU HG H 1 0.958 0.01 . 1 . . . . . 49 LEU HG . 52893 1
562 . 1 . 1 49 49 LEU HD11 H 1 1.428 0.48 . 2 . . . . . 49 LEU MD1 . 52893 1
563 . 1 . 1 49 49 LEU HD12 H 1 1.428 0.48 . 2 . . . . . 49 LEU MD1 . 52893 1
564 . 1 . 1 49 49 LEU HD13 H 1 1.428 0.48 . 2 . . . . . 49 LEU MD1 . 52893 1
565 . 1 . 1 49 49 LEU HD21 H 1 1.621 0.02 . 2 . . . . . 49 LEU MD2 . 52893 1
566 . 1 . 1 49 49 LEU HD22 H 1 1.621 0.02 . 2 . . . . . 49 LEU MD2 . 52893 1
567 . 1 . 1 49 49 LEU HD23 H 1 1.621 0.02 . 2 . . . . . 49 LEU MD2 . 52893 1
568 . 1 . 1 49 49 LEU C C 13 177.2 0.20 . 1 . . . . . 49 LEU C . 52893 1
569 . 1 . 1 49 49 LEU CA C 13 58.20 0.02 . 1 . . . . . 49 LEU CA . 52893 1
570 . 1 . 1 49 49 LEU CB C 13 41.99 0.12 . 1 . . . . . 49 LEU CB . 52893 1
571 . 1 . 1 49 49 LEU CG C 13 25.75 0.48 . 1 . . . . . 49 LEU CG . 52893 1
572 . 1 . 1 49 49 LEU CD1 C 13 23.62 0.20 . 2 . . . . . 49 LEU CD1 . 52893 1
573 . 1 . 1 49 49 LEU CD2 C 13 23.62 0.20 . 2 . . . . . 49 LEU CD2 . 52893 1
574 . 1 . 1 49 49 LEU N N 15 130.2 0.03 . 1 . . . . . 49 LEU N . 52893 1
575 . 1 . 1 50 50 ASN H H 1 8.152 0.02 . 1 . . . . . 50 ASN H . 52893 1
576 . 1 . 1 50 50 ASN HA H 1 4.363 0.02 . 1 . . . . . 50 ASN HA . 52893 1
577 . 1 . 1 50 50 ASN HB2 H 1 2.882 0.02 . 2 . . . . . 50 ASN HB2 . 52893 1
578 . 1 . 1 50 50 ASN HB3 H 1 2.787 0.02 . 2 . . . . . 50 ASN HB3 . 52893 1
579 . 1 . 1 50 50 ASN HD21 H 1 7.601 0.02 . 2 . . . . . 50 ASN HD21 . 52893 1
580 . 1 . 1 50 50 ASN HD22 H 1 6.797 0.02 . 2 . . . . . 50 ASN HD22 . 52893 1
581 . 1 . 1 50 50 ASN C C 13 178.4 0.20 . 1 . . . . . 50 ASN C . 52893 1
582 . 1 . 1 50 50 ASN CA C 13 56.95 0.27 . 1 . . . . . 50 ASN CA . 52893 1
583 . 1 . 1 50 50 ASN CB C 13 37.74 0.08 . 1 . . . . . 50 ASN CB . 52893 1
584 . 1 . 1 50 50 ASN CG C 13 177.9 0.20 . 1 . . . . . 50 ASN CG . 52893 1
585 . 1 . 1 50 50 ASN N N 15 116.2 0.05 . 1 . . . . . 50 ASN N . 52893 1
586 . 1 . 1 50 50 ASN ND2 N 15 111.7 0.20 . 1 . . . . . 50 ASN ND2 . 52893 1
587 . 1 . 1 51 51 GLU H H 1 8.212 0.02 . 1 . . . . . 51 GLU H . 52893 1
588 . 1 . 1 51 51 GLU HA H 1 4.000 0.02 . 1 . . . . . 51 GLU HA . 52893 1
589 . 1 . 1 51 51 GLU HB2 H 1 2.027 0.01 . 2 . . . . . 51 GLU HB2 . 52893 1
590 . 1 . 1 51 51 GLU HB3 H 1 1.817 0.02 . 2 . . . . . 51 GLU HB3 . 52893 1
591 . 1 . 1 51 51 GLU HG2 H 1 2.335 0.01 . 2 . . . . . 51 GLU HG2 . 52893 1
592 . 1 . 1 51 51 GLU HG3 H 1 2.123 0.02 . 2 . . . . . 51 GLU HG3 . 52893 1
593 . 1 . 1 51 51 GLU C C 13 178.3 0.20 . 1 . . . . . 51 GLU C . 52893 1
594 . 1 . 1 51 51 GLU CA C 13 59.26 0.01 . 1 . . . . . 51 GLU CA . 52893 1
595 . 1 . 1 51 51 GLU CB C 13 29.44 0.13 . 1 . . . . . 51 GLU CB . 52893 1
596 . 1 . 1 51 51 GLU CG C 13 36.47 0.20 . 1 . . . . . 51 GLU CG . 52893 1
597 . 1 . 1 51 51 GLU N N 15 122.7 0.04 . 1 . . . . . 51 GLU N . 52893 1
598 . 1 . 1 52 52 LEU H H 1 8.064 0.02 . 1 . . . . . 52 LEU H . 52893 1
599 . 1 . 1 52 52 LEU HA H 1 3.892 0.02 . 1 . . . . . 52 LEU HA . 52893 1
600 . 1 . 1 52 52 LEU HB2 H 1 2.022 0.02 . 2 . . . . . 52 LEU HB2 . 52893 1
601 . 1 . 1 52 52 LEU HB3 H 1 1.462 0.02 . 2 . . . . . 52 LEU HB3 . 52893 1
602 . 1 . 1 52 52 LEU HG H 1 0.828 0.02 . 1 . . . . . 52 LEU HG . 52893 1
603 . 1 . 1 52 52 LEU HD11 H 1 1.379 0.02 . 2 . . . . . 52 LEU MD1 . 52893 1
604 . 1 . 1 52 52 LEU HD12 H 1 1.379 0.02 . 2 . . . . . 52 LEU MD1 . 52893 1
605 . 1 . 1 52 52 LEU HD13 H 1 1.379 0.02 . 2 . . . . . 52 LEU MD1 . 52893 1
606 . 1 . 1 52 52 LEU HD21 H 1 0.736 0.01 . 2 . . . . . 52 LEU MD2 . 52893 1
607 . 1 . 1 52 52 LEU HD22 H 1 0.736 0.01 . 2 . . . . . 52 LEU MD2 . 52893 1
608 . 1 . 1 52 52 LEU HD23 H 1 0.736 0.01 . 2 . . . . . 52 LEU MD2 . 52893 1
609 . 1 . 1 52 52 LEU C C 13 178.4 0.20 . 1 . . . . . 52 LEU C . 52893 1
610 . 1 . 1 52 52 LEU CA C 13 58.22 0.05 . 1 . . . . . 52 LEU CA . 52893 1
611 . 1 . 1 52 52 LEU CB C 13 40.38 1.27 . 1 . . . . . 52 LEU CB . 52893 1
612 . 1 . 1 52 52 LEU CG C 13 27.01 0.20 . 1 . . . . . 52 LEU CG . 52893 1
613 . 1 . 1 52 52 LEU CD1 C 13 23.34 0.20 . 2 . . . . . 52 LEU CD1 . 52893 1
614 . 1 . 1 52 52 LEU CD2 C 13 23.34 0.20 . 2 . . . . . 52 LEU CD2 . 52893 1
615 . 1 . 1 52 52 LEU N N 15 120.7 0.04 . 1 . . . . . 52 LEU N . 52893 1
616 . 1 . 1 53 53 LEU H H 1 8.390 0.02 . 1 . . . . . 53 LEU H . 52893 1
617 . 1 . 1 53 53 LEU HA H 1 4.694 0.02 . 1 . . . . . 53 LEU HA . 52893 1
618 . 1 . 1 53 53 LEU HB2 H 1 1.950 0.02 . 2 . . . . . 53 LEU HB2 . 52893 1
619 . 1 . 1 53 53 LEU HB3 H 1 1.351 0.02 . 2 . . . . . 53 LEU HB3 . 52893 1
620 . 1 . 1 53 53 LEU HG H 1 1.756 0.02 . 1 . . . . . 53 LEU HG . 52893 1
621 . 1 . 1 53 53 LEU HD11 H 1 0.925 0.02 . 2 . . . . . 53 LEU MD1 . 52893 1
622 . 1 . 1 53 53 LEU HD12 H 1 0.925 0.02 . 2 . . . . . 53 LEU MD1 . 52893 1
623 . 1 . 1 53 53 LEU HD13 H 1 0.925 0.02 . 2 . . . . . 53 LEU MD1 . 52893 1
624 . 1 . 1 53 53 LEU HD21 H 1 0.646 0.02 . 2 . . . . . 53 LEU MD2 . 52893 1
625 . 1 . 1 53 53 LEU HD22 H 1 0.646 0.02 . 2 . . . . . 53 LEU MD2 . 52893 1
626 . 1 . 1 53 53 LEU HD23 H 1 0.646 0.02 . 2 . . . . . 53 LEU MD2 . 52893 1
627 . 1 . 1 53 53 LEU C C 13 179.1 0.20 . 1 . . . . . 53 LEU C . 52893 1
628 . 1 . 1 53 53 LEU CA C 13 58.03 0.03 . 1 . . . . . 53 LEU CA . 52893 1
629 . 1 . 1 53 53 LEU CB C 13 41.16 0.10 . 1 . . . . . 53 LEU CB . 52893 1
630 . 1 . 1 53 53 LEU CG C 13 26.33 0.20 . 1 . . . . . 53 LEU CG . 52893 1
631 . 1 . 1 53 53 LEU CD1 C 13 23.10 0.20 . 2 . . . . . 53 LEU CD1 . 52893 1
632 . 1 . 1 53 53 LEU CD2 C 13 23.10 0.20 . 2 . . . . . 53 LEU CD2 . 52893 1
633 . 1 . 1 53 53 LEU N N 15 117.2 0.03 . 1 . . . . . 53 LEU N . 52893 1
634 . 1 . 1 54 54 GLN H H 1 7.924 0.02 . 1 . . . . . 54 GLN H . 52893 1
635 . 1 . 1 54 54 GLN HA H 1 3.950 0.02 . 1 . . . . . 54 GLN HA . 52893 1
636 . 1 . 1 54 54 GLN HB2 H 1 2.203 0.02 . 2 . . . . . 54 GLN HB2 . 52893 1
637 . 1 . 1 54 54 GLN HB3 H 1 2.203 0.02 . 2 . . . . . 54 GLN HB3 . 52893 1
638 . 1 . 1 54 54 GLN HG2 H 1 2.405 0.01 . 2 . . . . . 54 GLN HG2 . 52893 1
639 . 1 . 1 54 54 GLN HG3 H 1 2.337 0.02 . 2 . . . . . 54 GLN HG3 . 52893 1
640 . 1 . 1 54 54 GLN HE21 H 1 7.506 0.02 . 2 . . . . . 54 GLN HE21 . 52893 1
641 . 1 . 1 54 54 GLN HE22 H 1 6.877 0.02 . 2 . . . . . 54 GLN HE22 . 52893 1
642 . 1 . 1 54 54 GLN C C 13 178.6 0.20 . 1 . . . . . 54 GLN C . 52893 1
643 . 1 . 1 54 54 GLN CA C 13 59.31 0.04 . 1 . . . . . 54 GLN CA . 52893 1
644 . 1 . 1 54 54 GLN CB C 13 27.94 0.04 . 1 . . . . . 54 GLN CB . 52893 1
645 . 1 . 1 54 54 GLN CG C 13 33.81 0.20 . 1 . . . . . 54 GLN CG . 52893 1
646 . 1 . 1 54 54 GLN N N 15 120.4 0.03 . 1 . . . . . 54 GLN N . 52893 1
647 . 1 . 1 54 54 GLN NE2 N 15 112.4 0.02 . 1 . . . . . 54 GLN NE2 . 52893 1
648 . 1 . 1 55 55 ARG H H 1 8.019 0.20 . 1 . . . . . 55 ARG H . 52893 1
649 . 1 . 1 55 55 ARG HA H 1 4.024 0.01 . 1 . . . . . 55 ARG HA . 52893 1
650 . 1 . 1 55 55 ARG HB2 H 1 2.095 0.02 . 2 . . . . . 55 ARG HB2 . 52893 1
651 . 1 . 1 55 55 ARG HB3 H 1 1.790 0.02 . 2 . . . . . 55 ARG HB3 . 52893 1
652 . 1 . 1 55 55 ARG HG2 H 1 2.027 0.02 . 2 . . . . . 55 ARG HG2 . 52893 1
653 . 1 . 1 55 55 ARG HG3 H 1 1.790 0.02 . 2 . . . . . 55 ARG HG3 . 52893 1
654 . 1 . 1 55 55 ARG HD2 H 1 3.266 0.02 . 2 . . . . . 55 ARG HD2 . 52893 1
655 . 1 . 1 55 55 ARG HD3 H 1 2.987 0.02 . 2 . . . . . 55 ARG HD3 . 52893 1
656 . 1 . 1 55 55 ARG C C 13 180.3 0.20 . 1 . . . . . 55 ARG C . 52893 1
657 . 1 . 1 55 55 ARG CA C 13 59.49 0.01 . 1 . . . . . 55 ARG CA . 52893 1
658 . 1 . 1 55 55 ARG CB C 13 30.77 0.15 . 1 . . . . . 55 ARG CB . 52893 1
659 . 1 . 1 55 55 ARG CG C 13 28.70 0.20 . 1 . . . . . 55 ARG CG . 52893 1
660 . 1 . 1 55 55 ARG CD C 13 44.44 0.20 . 1 . . . . . 55 ARG CD . 52893 1
661 . 1 . 1 55 55 ARG N N 15 118.1 0.02 . 1 . . . . . 55 ARG N . 52893 1
662 . 1 . 1 56 56 LEU H H 1 8.299 0.02 . 1 . . . . . 56 LEU H . 52893 1
663 . 1 . 1 56 56 LEU HA H 1 3.692 0.02 . 1 . . . . . 56 LEU HA . 52893 1
664 . 1 . 1 56 56 LEU HB2 H 1 1.761 0.02 . 2 . . . . . 56 LEU HB2 . 52893 1
665 . 1 . 1 56 56 LEU HB3 H 1 1.116 0.02 . 2 . . . . . 56 LEU HB3 . 52893 1
666 . 1 . 1 56 56 LEU HG H 1 1.572 0.02 . 1 . . . . . 56 LEU HG . 52893 1
667 . 1 . 1 56 56 LEU C C 13 177.3 0.20 . 1 . . . . . 56 LEU C . 52893 1
668 . 1 . 1 56 56 LEU CA C 13 57.50 0.03 . 1 . . . . . 56 LEU CA . 52893 1
669 . 1 . 1 56 56 LEU CB C 13 42.07 0.08 . 1 . . . . . 56 LEU CB . 52893 1
670 . 1 . 1 56 56 LEU CG C 13 27.53 0.20 . 1 . . . . . 56 LEU CG . 52893 1
671 . 1 . 1 56 56 LEU N N 15 118.8 0.04 . 1 . . . . . 56 LEU N . 52893 1
672 . 1 . 1 57 57 ASN H H 1 7.854 0.03 . 1 . . . . . 57 ASN H . 52893 1
673 . 1 . 1 57 57 ASN HA H 1 4.524 0.02 . 1 . . . . . 57 ASN HA . 52893 1
674 . 1 . 1 57 57 ASN HB2 H 1 2.729 0.02 . 2 . . . . . 57 ASN HB2 . 52893 1
675 . 1 . 1 57 57 ASN HB3 H 1 2.700 0.02 . 2 . . . . . 57 ASN HB3 . 52893 1
676 . 1 . 1 57 57 ASN C C 13 175.2 0.20 . 1 . . . . . 57 ASN C . 52893 1
677 . 1 . 1 57 57 ASN CA C 13 55.51 0.05 . 1 . . . . . 57 ASN CA . 52893 1
678 . 1 . 1 57 57 ASN CB C 13 39.60 0.05 . 1 . . . . . 57 ASN CB . 52893 1
679 . 1 . 1 57 57 ASN N N 15 114.0 0.10 . 1 . . . . . 57 ASN N . 52893 1
680 . 1 . 1 58 58 ASP H H 1 7.477 0.01 . 1 . . . . . 58 ASP H . 52893 1
681 . 1 . 1 58 58 ASP HA H 1 4.708 0.02 . 1 . . . . . 58 ASP HA . 52893 1
682 . 1 . 1 58 58 ASP HB2 H 1 2.709 0.02 . 2 . . . . . 58 ASP HB2 . 52893 1
683 . 1 . 1 58 58 ASP HB3 H 1 2.640 0.02 . 2 . . . . . 58 ASP HB3 . 52893 1
684 . 1 . 1 58 58 ASP C C 13 176.9 0.20 . 1 . . . . . 58 ASP C . 52893 1
685 . 1 . 1 58 58 ASP CA C 13 54.60 0.06 . 1 . . . . . 58 ASP CA . 52893 1
686 . 1 . 1 58 58 ASP CB C 13 41.17 0.05 . 1 . . . . . 58 ASP CB . 52893 1
687 . 1 . 1 58 58 ASP N N 15 120.1 0.03 . 1 . . . . . 58 ASP N . 52893 1
688 . 1 . 1 59 59 VAL H H 1 7.602 0.23 . 1 . . . . . 59 VAL H . 52893 1
689 . 1 . 1 59 59 VAL HA H 1 4.014 0.02 . 1 . . . . . 59 VAL HA . 52893 1
690 . 1 . 1 59 59 VAL HB H 1 2.109 0.02 . 1 . . . . . 59 VAL HB . 52893 1
691 . 1 . 1 59 59 VAL HG11 H 1 0.941 0.02 . 2 . . . . . 59 VAL MG1 . 52893 1
692 . 1 . 1 59 59 VAL HG12 H 1 0.941 0.02 . 2 . . . . . 59 VAL MG1 . 52893 1
693 . 1 . 1 59 59 VAL HG13 H 1 0.941 0.02 . 2 . . . . . 59 VAL MG1 . 52893 1
694 . 1 . 1 59 59 VAL HG21 H 1 0.826 0.02 . 2 . . . . . 59 VAL MG2 . 52893 1
695 . 1 . 1 59 59 VAL HG22 H 1 0.826 0.02 . 2 . . . . . 59 VAL MG2 . 52893 1
696 . 1 . 1 59 59 VAL HG23 H 1 0.826 0.02 . 2 . . . . . 59 VAL MG2 . 52893 1
697 . 1 . 1 59 59 VAL C C 13 176.1 0.20 . 1 . . . . . 59 VAL C . 52893 1
698 . 1 . 1 59 59 VAL CA C 13 63.04 0.01 . 1 . . . . . 59 VAL CA . 52893 1
699 . 1 . 1 59 59 VAL CB C 13 32.16 0.16 . 1 . . . . . 59 VAL CB . 52893 1
700 . 1 . 1 59 59 VAL CG1 C 13 21.44 0.20 . 2 . . . . . 59 VAL CG1 . 52893 1
701 . 1 . 1 59 59 VAL CG2 C 13 21.44 0.20 . 2 . . . . . 59 VAL CG2 . 52893 1
702 . 1 . 1 59 59 VAL N N 15 120.1 1.19 . 1 . . . . . 59 VAL N . 52893 1
703 . 1 . 1 60 60 GLU H H 1 8.286 0.01 . 1 . . . . . 60 GLU H . 52893 1
704 . 1 . 1 60 60 GLU HA H 1 4.720 0.03 . 1 . . . . . 60 GLU HA . 52893 1
705 . 1 . 1 60 60 GLU HB2 H 1 3.162 0.01 . 2 . . . . . 60 GLU HB2 . 52893 1
706 . 1 . 1 60 60 GLU HB3 H 1 3.095 0.02 . 2 . . . . . 60 GLU HB3 . 52893 1
707 . 1 . 1 60 60 GLU HG2 H 1 2.166 0.04 . 2 . . . . . 60 GLU HG2 . 52893 1
708 . 1 . 1 60 60 GLU HG3 H 1 2.049 0.02 . 2 . . . . . 60 GLU HG3 . 52893 1
709 . 1 . 1 60 60 GLU C C 13 176.4 0.20 . 1 . . . . . 60 GLU C . 52893 1
710 . 1 . 1 60 60 GLU CA C 13 56.95 0.01 . 1 . . . . . 60 GLU CA . 52893 1
711 . 1 . 1 60 60 GLU CB C 13 29.97 0.09 . 1 . . . . . 60 GLU CB . 52893 1
712 . 1 . 1 60 60 GLU CG C 13 36.48 0.20 . 1 . . . . . 60 GLU CG . 52893 1
713 . 1 . 1 60 60 GLU N N 15 123.6 0.12 . 1 . . . . . 60 GLU N . 52893 1
714 . 1 . 1 61 61 GLN H H 1 8.351 0.01 . 1 . . . . . 61 GLN H . 52893 1
715 . 1 . 1 61 61 GLN HA H 1 4.454 0.02 . 1 . . . . . 61 GLN HA . 52893 1
716 . 1 . 1 61 61 GLN HB2 H 1 2.178 0.03 . 2 . . . . . 61 GLN HB2 . 52893 1
717 . 1 . 1 61 61 GLN HB3 H 1 1.997 0.02 . 2 . . . . . 61 GLN HB3 . 52893 1
718 . 1 . 1 61 61 GLN HG2 H 1 2.395 0.02 . 2 . . . . . 61 GLN HG2 . 52893 1
719 . 1 . 1 61 61 GLN HG3 H 1 2.395 0.02 . 2 . . . . . 61 GLN HG3 . 52893 1
720 . 1 . 1 61 61 GLN HE21 H 1 7.605 0.02 . 2 . . . . . 61 GLN HE21 . 52893 1
721 . 1 . 1 61 61 GLN HE22 H 1 6.754 0.02 . 2 . . . . . 61 GLN HE22 . 52893 1
722 . 1 . 1 61 61 GLN C C 13 176.1 0.20 . 1 . . . . . 61 GLN C . 52893 1
723 . 1 . 1 61 61 GLN CA C 13 55.85 0.01 . 1 . . . . . 61 GLN CA . 52893 1
724 . 1 . 1 61 61 GLN CB C 13 29.46 0.21 . 1 . . . . . 61 GLN CB . 52893 1
725 . 1 . 1 61 61 GLN CG C 13 33.95 0.20 . 1 . . . . . 61 GLN CG . 52893 1
726 . 1 . 1 61 61 GLN CD C 13 180.4 0.03 . 1 . . . . . 61 GLN CD . 52893 1
727 . 1 . 1 61 61 GLN N N 15 121.3 0.06 . 1 . . . . . 61 GLN N . 52893 1
728 . 1 . 1 61 61 GLN NE2 N 15 112.6 0.27 . 1 . . . . . 61 GLN NE2 . 52893 1
729 . 1 . 1 62 62 THR H H 1 8.174 0.02 . 1 . . . . . 62 THR H . 52893 1
730 . 1 . 1 62 62 THR HA H 1 4.324 0.02 . 1 . . . . . 62 THR HA . 52893 1
731 . 1 . 1 62 62 THR HB H 1 4.297 0.02 . 1 . . . . . 62 THR HB . 52893 1
732 . 1 . 1 62 62 THR HG21 H 1 1.222 0.02 . 1 . . . . . 62 THR MG . 52893 1
733 . 1 . 1 62 62 THR HG22 H 1 1.222 0.02 . 1 . . . . . 62 THR MG . 52893 1
734 . 1 . 1 62 62 THR HG23 H 1 1.222 0.02 . 1 . . . . . 62 THR MG . 52893 1
735 . 1 . 1 62 62 THR C C 13 173.6 0.20 . 1 . . . . . 62 THR C . 52893 1
736 . 1 . 1 62 62 THR CA C 13 61.81 0.03 . 1 . . . . . 62 THR CA . 52893 1
737 . 1 . 1 62 62 THR CB C 13 69.97 0.07 . 1 . . . . . 62 THR CB . 52893 1
738 . 1 . 1 62 62 THR CG2 C 13 21.54 0.20 . 1 . . . . . 62 THR CG2 . 52893 1
739 . 1 . 1 62 62 THR N N 15 115.3 0.02 . 1 . . . . . 62 THR N . 52893 1
740 . 1 . 1 63 63 ASN H H 1 8.121 0.02 . 1 . . . . . 63 ASN H . 52893 1
741 . 1 . 1 63 63 ASN HA H 1 4.242 0.01 . 1 . . . . . 63 ASN HA . 52893 1
742 . 1 . 1 63 63 ASN HB2 H 1 3.124 0.02 . 2 . . . . . 63 ASN HB2 . 52893 1
743 . 1 . 1 63 63 ASN HB3 H 1 2.253 0.02 . 2 . . . . . 63 ASN HB3 . 52893 1
744 . 1 . 1 63 63 ASN HD21 H 1 7.523 0.02 . 2 . . . . . 63 ASN HD21 . 52893 1
745 . 1 . 1 63 63 ASN HD22 H 1 6.815 0.02 . 2 . . . . . 63 ASN HD22 . 52893 1
746 . 1 . 1 63 63 ASN CA C 13 54.96 0.20 . 1 . . . . . 63 ASN CA . 52893 1
747 . 1 . 1 63 63 ASN CB C 13 40.31 0.06 . 1 . . . . . 63 ASN CB . 52893 1
748 . 1 . 1 63 63 ASN CG C 13 178.4 0.20 . 1 . . . . . 63 ASN CG . 52893 1
749 . 1 . 1 63 63 ASN N N 15 126.5 0.04 . 1 . . . . . 63 ASN N . 52893 1
750 . 1 . 1 63 63 ASN ND2 N 15 112.4 0.03 . 1 . . . . . 63 ASN ND2 . 52893 1
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