data_16642
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16642
_Entry.Title
;
High resolution structure of the second SH3 domain of CD2AP
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-12-21
_Entry.Accession_date 2009-12-21
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.100
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_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.Entry_ID
1 Jose-Luis 'Ortega Roldan' . . . 16642
2 Ana Azuaga . I. . 16642
3 Nico 'van Nuland' . A.J. . 16642
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'not applicable' 'not applicable' . 16642
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
protein . 16642
'SH3 domain' . 16642
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 16642
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 428 16642
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
2 . . 2011-07-01 2009-12-21 update BMRB 'update entry citation' 16642
1 . . 2011-05-04 2009-12-21 original author 'original release' 16642
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2FEI 'SH3-B of CMS' 16642
PDB 2JTE 'SH3-C of CD2AP' 16642
PDB 2KRN 'BMRB Entry Tracking System' 16642
PDB 2O2O 'SH3-B of CIN85' 16642
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 16642
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 21519904
_Citation.Full_citation .
_Citation.Title 'Solution structure, dynamics and thermodynamics of the three SH3 domains of CD2AP.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full 'Journal of biomolecular NMR'
_Citation.Journal_volume 50
_Citation.Journal_issue 2
_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 103
_Citation.Page_last 117
_Citation.Year 2011
_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.Entry_ID
_Citation_author.Citation_ID
1 'Jose L Ortega' Roldan . . . 16642 1
2 Martin Blackledge . . . 16642 1
3 Nico 'van Nuland' . A.J. . 16642 1
4 Ana Azuaga . I. . 16642 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
CD2AP 16642 1
'SH3 domain' 16642 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 16642
_Assembly.ID 1
_Assembly.Name 'CD2AP SH3-B monomer'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_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 'CD2AP SH3-B monomer' 1 $SH3-B A . yes native no no . . . 16642 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_SH3-B
_Entity.Sf_category entity
_Entity.Sf_framecode SH3-B
_Entity.Entry_ID 16642
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name SH3-B
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GSMGRQCKVLFDYSPQNEDE
LELIVGDVIDVIEEVEEGWW
SGTLNNKLGLFPSNFVKELE
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 60
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 6817.6
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2014-05-12
loop_
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
no PDB 2KRN . "High Resolution Structure Of The Second Sh3 Domain Of Cd2ap" . . . . . 100.00 60 100.00 100.00 4.94e-34 . . . . 16642 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 16642 1
2 . SER . 16642 1
3 . MET . 16642 1
4 . GLY . 16642 1
5 . ARG . 16642 1
6 . GLN . 16642 1
7 . CYS . 16642 1
8 . LYS . 16642 1
9 . VAL . 16642 1
10 . LEU . 16642 1
11 . PHE . 16642 1
12 . ASP . 16642 1
13 . TYR . 16642 1
14 . SER . 16642 1
15 . PRO . 16642 1
16 . GLN . 16642 1
17 . ASN . 16642 1
18 . GLU . 16642 1
19 . ASP . 16642 1
20 . GLU . 16642 1
21 . LEU . 16642 1
22 . GLU . 16642 1
23 . LEU . 16642 1
24 . ILE . 16642 1
25 . VAL . 16642 1
26 . GLY . 16642 1
27 . ASP . 16642 1
28 . VAL . 16642 1
29 . ILE . 16642 1
30 . ASP . 16642 1
31 . VAL . 16642 1
32 . ILE . 16642 1
33 . GLU . 16642 1
34 . GLU . 16642 1
35 . VAL . 16642 1
36 . GLU . 16642 1
37 . GLU . 16642 1
38 . GLY . 16642 1
39 . TRP . 16642 1
40 . TRP . 16642 1
41 . SER . 16642 1
42 . GLY . 16642 1
43 . THR . 16642 1
44 . LEU . 16642 1
45 . ASN . 16642 1
46 . ASN . 16642 1
47 . LYS . 16642 1
48 . LEU . 16642 1
49 . GLY . 16642 1
50 . LEU . 16642 1
51 . PHE . 16642 1
52 . PRO . 16642 1
53 . SER . 16642 1
54 . ASN . 16642 1
55 . PHE . 16642 1
56 . VAL . 16642 1
57 . LYS . 16642 1
58 . GLU . 16642 1
59 . LEU . 16642 1
60 . GLU . 16642 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 16642 1
. SER 2 2 16642 1
. MET 3 3 16642 1
. GLY 4 4 16642 1
. ARG 5 5 16642 1
. GLN 6 6 16642 1
. CYS 7 7 16642 1
. LYS 8 8 16642 1
. VAL 9 9 16642 1
. LEU 10 10 16642 1
. PHE 11 11 16642 1
. ASP 12 12 16642 1
. TYR 13 13 16642 1
. SER 14 14 16642 1
. PRO 15 15 16642 1
. GLN 16 16 16642 1
. ASN 17 17 16642 1
. GLU 18 18 16642 1
. ASP 19 19 16642 1
. GLU 20 20 16642 1
. LEU 21 21 16642 1
. GLU 22 22 16642 1
. LEU 23 23 16642 1
. ILE 24 24 16642 1
. VAL 25 25 16642 1
. GLY 26 26 16642 1
. ASP 27 27 16642 1
. VAL 28 28 16642 1
. ILE 29 29 16642 1
. ASP 30 30 16642 1
. VAL 31 31 16642 1
. ILE 32 32 16642 1
. GLU 33 33 16642 1
. GLU 34 34 16642 1
. VAL 35 35 16642 1
. GLU 36 36 16642 1
. GLU 37 37 16642 1
. GLY 38 38 16642 1
. TRP 39 39 16642 1
. TRP 40 40 16642 1
. SER 41 41 16642 1
. GLY 42 42 16642 1
. THR 43 43 16642 1
. LEU 44 44 16642 1
. ASN 45 45 16642 1
. ASN 46 46 16642 1
. LYS 47 47 16642 1
. LEU 48 48 16642 1
. GLY 49 49 16642 1
. LEU 50 50 16642 1
. PHE 51 51 16642 1
. PRO 52 52 16642 1
. SER 53 53 16642 1
. ASN 54 54 16642 1
. PHE 55 55 16642 1
. VAL 56 56 16642 1
. LYS 57 57 16642 1
. GLU 58 58 16642 1
. LEU 59 59 16642 1
. GLU 60 60 16642 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 16642
_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.Subvariant
_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.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $SH3-B . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16642 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 16642
_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_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_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.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $SH3-B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGAT-2 . . . . . . 16642 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 16642
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_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 SH3-B 'natural abundance' . . 1 $SH3-B . . 1 . . mM . . . . 16642 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 16642
_Sample_condition_list.ID 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' 0 . mM 16642 1
pH 6.0 . pH 16642 1
pressure 1 . atm 16642 1
temperature 298 . K 16642 1
stop_
save_
############################
# Computer software used #
############################
save_RECOORD
_Software.Sf_category software
_Software.Sf_framecode RECOORD
_Software.Entry_ID 16642
_Software.ID 1
_Software.Name RECOORD
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Nederveen et al' . . 16642 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 16642 1
'structure solution' 16642 1
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 16642
_Software.ID 2
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 16642 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'NOE assignment' 16642 2
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 16642
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model 'Uniform NMR System'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 16642
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian 'Uniform NMR System' . 600 . . . 16642 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 16642
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_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.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16642 1
2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16642 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 16642
_Chem_shift_reference.ID 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.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16642 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16642 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16642 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 16642
_Assigned_chem_shift_list.ID 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 $chemical_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-1H TOCSY' . . . 16642 1
2 '2D 1H-1H NOESY' . . . 16642 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 2 2 SER H H 1 8.7280 0.015 . 1 . . . . 2 SER HN . 16642 1
2 . 1 1 2 2 SER HA H 1 4.4830 0.015 . 1 . . . . 2 SER HA . 16642 1
3 . 1 1 2 2 SER HB2 H 1 3.8520 0.015 . 2 . . . . 2 SER HB1 . 16642 1
4 . 1 1 2 2 SER HB3 H 1 3.8520 0.015 . 2 . . . . 2 SER HB2 . 16642 1
5 . 1 1 3 3 MET H H 1 8.5360 0.015 . 1 . . . . 3 MET HN . 16642 1
6 . 1 1 3 3 MET HA H 1 4.5160 0.015 . 1 . . . . 3 MET HA . 16642 1
7 . 1 1 3 3 MET HB2 H 1 1.9250 0.015 . 2 . . . . 3 MET HB1 . 16642 1
8 . 1 1 3 3 MET HB3 H 1 2.0570 0.015 . 2 . . . . 3 MET HB2 . 16642 1
9 . 1 1 3 3 MET HG2 H 1 2.4410 0.015 . 2 . . . . 3 MET HG1 . 16642 1
10 . 1 1 3 3 MET HG3 H 1 2.5350 0.015 . 2 . . . . 3 MET HG2 . 16642 1
11 . 1 1 4 4 GLY H H 1 8.2600 0.015 . 1 . . . . 4 GLY HN . 16642 1
12 . 1 1 4 4 GLY HA2 H 1 3.9760 0.015 . 2 . . . . 4 GLY HA1 . 16642 1
13 . 1 1 4 4 GLY HA3 H 1 3.9760 0.015 . 2 . . . . 4 GLY HA2 . 16642 1
14 . 1 1 5 5 ARG H H 1 8.3260 0.015 . 1 . . . . 5 ARG HN . 16642 1
15 . 1 1 5 5 ARG HA H 1 4.5030 0.015 . 1 . . . . 5 ARG HA . 16642 1
16 . 1 1 5 5 ARG HB2 H 1 1.6880 0.015 . 2 . . . . 5 ARG HB1 . 16642 1
17 . 1 1 5 5 ARG HB3 H 1 1.8250 0.015 . 2 . . . . 5 ARG HB2 . 16642 1
18 . 1 1 5 5 ARG HD2 H 1 2.9330 0.015 . 2 . . . . 5 ARG HD1 . 16642 1
19 . 1 1 5 5 ARG HD3 H 1 3.0860 0.015 . 2 . . . . 5 ARG HD2 . 16642 1
20 . 1 1 5 5 ARG HE H 1 7.5050 0.015 . 1 . . . . 5 ARG HE . 16642 1
21 . 1 1 5 5 ARG HG2 H 1 1.4890 0.015 . 2 . . . . 5 ARG HG1 . 16642 1
22 . 1 1 5 5 ARG HG3 H 1 1.6880 0.015 . 2 . . . . 5 ARG HG2 . 16642 1
23 . 1 1 6 6 GLN H H 1 8.9250 0.015 . 1 . . . . 6 GLN HN . 16642 1
24 . 1 1 6 6 GLN HA H 1 5.6300 0.015 . 1 . . . . 6 GLN HA . 16642 1
25 . 1 1 6 6 GLN HB2 H 1 1.8240 0.015 . 2 . . . . 6 GLN HB1 . 16642 1
26 . 1 1 6 6 GLN HB3 H 1 2.0210 0.015 . 2 . . . . 6 GLN HB2 . 16642 1
27 . 1 1 6 6 GLN HE21 H 1 8.0310 0.015 . 2 . . . . 6 GLN HE21 . 16642 1
28 . 1 1 6 6 GLN HE22 H 1 6.5820 0.015 . 2 . . . . 6 GLN HE22 . 16642 1
29 . 1 1 6 6 GLN HG2 H 1 2.3060 0.015 . 2 . . . . 6 GLN HG1 . 16642 1
30 . 1 1 6 6 GLN HG3 H 1 2.4400 0.015 . 2 . . . . 6 GLN HG2 . 16642 1
31 . 1 1 7 7 CYS H H 1 8.9980 0.015 . 1 . . . . 7 CYS HN . 16642 1
32 . 1 1 7 7 CYS HA H 1 5.3140 0.015 . 1 . . . . 7 CYS HA . 16642 1
33 . 1 1 7 7 CYS HB2 H 1 2.5010 0.015 . 2 . . . . 7 CYS HB1 . 16642 1
34 . 1 1 7 7 CYS HB3 H 1 2.7690 0.015 . 2 . . . . 7 CYS HB2 . 16642 1
35 . 1 1 7 7 CYS HG H 1 1.3830 0.015 . 1 . . . . 7 CYS HG . 16642 1
36 . 1 1 8 8 LYS H H 1 8.9940 0.015 . 1 . . . . 8 LYS HN . 16642 1
37 . 1 1 8 8 LYS HA H 1 5.3450 0.015 . 1 . . . . 8 LYS HA . 16642 1
38 . 1 1 8 8 LYS HB2 H 1 1.5480 0.015 . 2 . . . . 8 LYS HB1 . 16642 1
39 . 1 1 8 8 LYS HB3 H 1 1.6850 0.015 . 2 . . . . 8 LYS HB2 . 16642 1
40 . 1 1 8 8 LYS HD2 H 1 1.6140 0.015 . 2 . . . . 8 LYS HD1 . 16642 1
41 . 1 1 8 8 LYS HD3 H 1 1.6150 0.015 . 2 . . . . 8 LYS HD2 . 16642 1
42 . 1 1 8 8 LYS HE2 H 1 2.8740 0.015 . 2 . . . . 8 LYS HE1 . 16642 1
43 . 1 1 8 8 LYS HE3 H 1 2.8740 0.015 . 2 . . . . 8 LYS HE2 . 16642 1
44 . 1 1 8 8 LYS HG2 H 1 1.2400 0.015 . 2 . . . . 8 LYS HG1 . 16642 1
45 . 1 1 8 8 LYS HG3 H 1 1.3180 0.015 . 2 . . . . 8 LYS HG2 . 16642 1
46 . 1 1 9 9 VAL H H 1 8.9660 0.015 . 1 . . . . 9 VAL HN . 16642 1
47 . 1 1 9 9 VAL HA H 1 3.8560 0.015 . 1 . . . . 9 VAL HA . 16642 1
48 . 1 1 9 9 VAL HB H 1 2.1550 0.015 . 1 . . . . 9 VAL HB . 16642 1
49 . 1 1 9 9 VAL HG11 H 1 0.9030 0.015 . 2 . . . . 9 VAL HG11 . 16642 1
50 . 1 1 9 9 VAL HG12 H 1 0.9030 0.015 . 2 . . . . 9 VAL HG11 . 16642 1
51 . 1 1 9 9 VAL HG13 H 1 0.9030 0.015 . 2 . . . . 9 VAL HG11 . 16642 1
52 . 1 1 9 9 VAL HG21 H 1 0.9460 0.015 . 2 . . . . 9 VAL HG21 . 16642 1
53 . 1 1 9 9 VAL HG22 H 1 0.9460 0.015 . 2 . . . . 9 VAL HG21 . 16642 1
54 . 1 1 9 9 VAL HG23 H 1 0.9460 0.015 . 2 . . . . 9 VAL HG21 . 16642 1
55 . 1 1 10 10 LEU H H 1 9.1570 0.015 . 1 . . . . 10 LEU HN . 16642 1
56 . 1 1 10 10 LEU HA H 1 4.0540 0.015 . 1 . . . . 10 LEU HA . 16642 1
57 . 1 1 10 10 LEU HB2 H 1 0.9910 0.015 . 2 . . . . 10 LEU HB1 . 16642 1
58 . 1 1 10 10 LEU HB3 H 1 0.9910 0.015 . 2 . . . . 10 LEU HB2 . 16642 1
59 . 1 1 10 10 LEU HD11 H 1 0.6180 0.015 . 2 . . . . 10 LEU HD11 . 16642 1
60 . 1 1 10 10 LEU HD12 H 1 0.6180 0.015 . 2 . . . . 10 LEU HD11 . 16642 1
61 . 1 1 10 10 LEU HD13 H 1 0.6180 0.015 . 2 . . . . 10 LEU HD11 . 16642 1
62 . 1 1 10 10 LEU HD21 H 1 0.5560 0.015 . 2 . . . . 10 LEU HD21 . 16642 1
63 . 1 1 10 10 LEU HD22 H 1 0.5560 0.015 . 2 . . . . 10 LEU HD21 . 16642 1
64 . 1 1 10 10 LEU HD23 H 1 0.5560 0.015 . 2 . . . . 10 LEU HD21 . 16642 1
65 . 1 1 10 10 LEU HG H 1 1.3240 0.015 . 1 . . . . 10 LEU HG . 16642 1
66 . 1 1 11 11 PHE H H 1 7.0530 0.015 . 1 . . . . 11 PHE HN . 16642 1
67 . 1 1 11 11 PHE HA H 1 4.6690 0.015 . 1 . . . . 11 PHE HA . 16642 1
68 . 1 1 11 11 PHE HB2 H 1 2.3750 0.015 . 2 . . . . 11 PHE HB1 . 16642 1
69 . 1 1 11 11 PHE HB3 H 1 3.0530 0.015 . 2 . . . . 11 PHE HB2 . 16642 1
70 . 1 1 11 11 PHE HD1 H 1 6.8560 0.015 . 3 . . . . 11 PHE HD1 . 16642 1
71 . 1 1 11 11 PHE HD2 H 1 6.8560 0.015 . 3 . . . . 11 PHE HD2 . 16642 1
72 . 1 1 11 11 PHE HE1 H 1 7.1590 0.015 . 3 . . . . 11 PHE HE1 . 16642 1
73 . 1 1 11 11 PHE HE2 H 1 7.1590 0.015 . 3 . . . . 11 PHE HE2 . 16642 1
74 . 1 1 12 12 ASP H H 1 8.0730 0.015 . 1 . . . . 12 ASP HN . 16642 1
75 . 1 1 12 12 ASP HA H 1 4.5150 0.015 . 1 . . . . 12 ASP HA . 16642 1
76 . 1 1 12 12 ASP HB2 H 1 2.4940 0.015 . 2 . . . . 12 ASP HB1 . 16642 1
77 . 1 1 12 12 ASP HB3 H 1 2.7940 0.015 . 2 . . . . 12 ASP HB2 . 16642 1
78 . 1 1 13 13 TYR H H 1 8.9690 0.015 . 1 . . . . 13 TYR HN . 16642 1
79 . 1 1 13 13 TYR HA H 1 4.7580 0.015 . 1 . . . . 13 TYR HA . 16642 1
80 . 1 1 13 13 TYR HB2 H 1 2.6170 0.015 . 2 . . . . 13 TYR HB1 . 16642 1
81 . 1 1 13 13 TYR HB3 H 1 2.9320 0.015 . 2 . . . . 13 TYR HB2 . 16642 1
82 . 1 1 13 13 TYR HD1 H 1 7.0590 0.015 . 3 . . . . 13 TYR HD1 . 16642 1
83 . 1 1 13 13 TYR HD2 H 1 7.0580 0.015 . 3 . . . . 13 TYR HD2 . 16642 1
84 . 1 1 13 13 TYR HE1 H 1 6.9130 0.015 . 3 . . . . 13 TYR HE1 . 16642 1
85 . 1 1 13 13 TYR HE2 H 1 6.9110 0.015 . 3 . . . . 13 TYR HE2 . 16642 1
86 . 1 1 14 14 SER H H 1 7.7030 0.015 . 1 . . . . 14 SER HN . 16642 1
87 . 1 1 14 14 SER HA H 1 4.8720 0.015 . 1 . . . . 14 SER HA . 16642 1
88 . 1 1 14 14 SER HB2 H 1 3.5240 0.015 . 2 . . . . 14 SER HB1 . 16642 1
89 . 1 1 14 14 SER HB3 H 1 3.6780 0.015 . 2 . . . . 14 SER HB2 . 16642 1
90 . 1 1 15 15 PRO HA H 1 4.3960 0.015 . 1 . . . . 15 PRO HA . 16642 1
91 . 1 1 15 15 PRO HB2 H 1 2.2880 0.015 . 2 . . . . 15 PRO HB1 . 16642 1
92 . 1 1 15 15 PRO HB3 H 1 2.2870 0.015 . 2 . . . . 15 PRO HB2 . 16642 1
93 . 1 1 15 15 PRO HD2 H 1 3.6810 0.015 . 2 . . . . 15 PRO HD1 . 16642 1
94 . 1 1 15 15 PRO HD3 H 1 3.7810 0.015 . 2 . . . . 15 PRO HD2 . 16642 1
95 . 1 1 15 15 PRO HG2 H 1 1.9380 0.015 . 2 . . . . 15 PRO HG1 . 16642 1
96 . 1 1 15 15 PRO HG3 H 1 2.0180 0.015 . 2 . . . . 15 PRO HG2 . 16642 1
97 . 1 1 16 16 GLN H H 1 9.1190 0.015 . 1 . . . . 16 GLN HN . 16642 1
98 . 1 1 16 16 GLN HA H 1 4.2350 0.015 . 1 . . . . 16 GLN HA . 16642 1
99 . 1 1 16 16 GLN HB2 H 1 2.0820 0.015 . 2 . . . . 16 GLN HB1 . 16642 1
100 . 1 1 16 16 GLN HB3 H 1 2.2600 0.015 . 2 . . . . 16 GLN HB2 . 16642 1
101 . 1 1 16 16 GLN HE21 H 1 7.6680 0.015 . 2 . . . . 16 GLN HE21 . 16642 1
102 . 1 1 16 16 GLN HE22 H 1 6.8250 0.015 . 2 . . . . 16 GLN HE22 . 16642 1
103 . 1 1 16 16 GLN HG2 H 1 2.3890 0.015 . 2 . . . . 16 GLN HG1 . 16642 1
104 . 1 1 16 16 GLN HG3 H 1 2.5790 0.015 . 2 . . . . 16 GLN HG2 . 16642 1
105 . 1 1 17 17 ASN H H 1 7.4080 0.015 . 1 . . . . 17 ASN HN . 16642 1
106 . 1 1 17 17 ASN HA H 1 4.7090 0.015 . 1 . . . . 17 ASN HA . 16642 1
107 . 1 1 17 17 ASN HB2 H 1 2.7450 0.015 . 2 . . . . 17 ASN HB1 . 16642 1
108 . 1 1 17 17 ASN HB3 H 1 2.8680 0.015 . 2 . . . . 17 ASN HB2 . 16642 1
109 . 1 1 17 17 ASN HD21 H 1 7.4610 0.015 . 2 . . . . 17 ASN HD21 . 16642 1
110 . 1 1 17 17 ASN HD22 H 1 6.5870 0.015 . 2 . . . . 17 ASN HD22 . 16642 1
111 . 1 1 18 18 GLU H H 1 8.8770 0.015 . 1 . . . . 18 GLU HN . 16642 1
112 . 1 1 18 18 GLU HA H 1 4.2530 0.015 . 1 . . . . 18 GLU HA . 16642 1
113 . 1 1 18 18 GLU HB2 H 1 2.0630 0.015 . 2 . . . . 18 GLU HB1 . 16642 1
114 . 1 1 18 18 GLU HB3 H 1 2.1350 0.015 . 2 . . . . 18 GLU HB2 . 16642 1
115 . 1 1 18 18 GLU HG2 H 1 2.3330 0.015 . 2 . . . . 18 GLU HG1 . 16642 1
116 . 1 1 18 18 GLU HG3 H 1 2.3340 0.015 . 2 . . . . 18 GLU HG2 . 16642 1
117 . 1 1 19 19 ASP H H 1 8.5180 0.015 . 1 . . . . 19 ASP HN . 16642 1
118 . 1 1 19 19 ASP HA H 1 4.7770 0.015 . 1 . . . . 19 ASP HA . 16642 1
119 . 1 1 19 19 ASP HB2 H 1 2.7900 0.015 . 2 . . . . 19 ASP HB1 . 16642 1
120 . 1 1 19 19 ASP HB3 H 1 2.8300 0.015 . 2 . . . . 19 ASP HB2 . 16642 1
121 . 1 1 20 20 GLU H H 1 7.4070 0.015 . 1 . . . . 20 GLU HN . 16642 1
122 . 1 1 20 20 GLU HA H 1 5.1980 0.015 . 1 . . . . 20 GLU HA . 16642 1
123 . 1 1 20 20 GLU HB2 H 1 2.2090 0.015 . 2 . . . . 20 GLU HB1 . 16642 1
124 . 1 1 20 20 GLU HB3 H 1 2.2080 0.015 . 2 . . . . 20 GLU HB2 . 16642 1
125 . 1 1 20 20 GLU HG2 H 1 2.4390 0.015 . 2 . . . . 20 GLU HG1 . 16642 1
126 . 1 1 20 20 GLU HG3 H 1 2.5250 0.015 . 2 . . . . 20 GLU HG2 . 16642 1
127 . 1 1 21 21 LEU H H 1 8.7090 0.015 . 1 . . . . 21 LEU HN . 16642 1
128 . 1 1 21 21 LEU HA H 1 4.3720 0.015 . 1 . . . . 21 LEU HA . 16642 1
129 . 1 1 21 21 LEU HB2 H 1 1.5380 0.015 . 2 . . . . 21 LEU HB1 . 16642 1
130 . 1 1 21 21 LEU HB3 H 1 1.5380 0.015 . 2 . . . . 21 LEU HB2 . 16642 1
131 . 1 1 21 21 LEU HD11 H 1 0.8270 0.015 . 2 . . . . 21 LEU HD11 . 16642 1
132 . 1 1 21 21 LEU HD12 H 1 0.8270 0.015 . 2 . . . . 21 LEU HD11 . 16642 1
133 . 1 1 21 21 LEU HD13 H 1 0.8270 0.015 . 2 . . . . 21 LEU HD11 . 16642 1
134 . 1 1 21 21 LEU HD21 H 1 0.7670 0.015 . 2 . . . . 21 LEU HD21 . 16642 1
135 . 1 1 21 21 LEU HD22 H 1 0.7670 0.015 . 2 . . . . 21 LEU HD21 . 16642 1
136 . 1 1 21 21 LEU HD23 H 1 0.7670 0.015 . 2 . . . . 21 LEU HD21 . 16642 1
137 . 1 1 21 21 LEU HG H 1 1.3510 0.015 . 1 . . . . 21 LEU HG . 16642 1
138 . 1 1 22 22 GLU H H 1 7.8600 0.015 . 1 . . . . 22 GLU HN . 16642 1
139 . 1 1 22 22 GLU HA H 1 4.5840 0.015 . 1 . . . . 22 GLU HA . 16642 1
140 . 1 1 22 22 GLU HB2 H 1 2.0730 0.015 . 2 . . . . 22 GLU HB1 . 16642 1
141 . 1 1 22 22 GLU HB3 H 1 2.0730 0.015 . 2 . . . . 22 GLU HB2 . 16642 1
142 . 1 1 22 22 GLU HG2 H 1 1.8310 0.015 . 2 . . . . 22 GLU HG1 . 16642 1
143 . 1 1 22 22 GLU HG3 H 1 2.4430 0.015 . 2 . . . . 22 GLU HG2 . 16642 1
144 . 1 1 23 23 LEU H H 1 8.8160 0.015 . 1 . . . . 23 LEU HN . 16642 1
145 . 1 1 23 23 LEU HA H 1 4.8130 0.015 . 1 . . . . 23 LEU HA . 16642 1
146 . 1 1 23 23 LEU HB2 H 1 1.7300 0.015 . 2 . . . . 23 LEU HB1 . 16642 1
147 . 1 1 23 23 LEU HB3 H 1 2.1210 0.015 . 2 . . . . 23 LEU HB2 . 16642 1
148 . 1 1 23 23 LEU HD11 H 1 0.8360 0.015 . 2 . . . . 23 LEU HD11 . 16642 1
149 . 1 1 23 23 LEU HD12 H 1 0.8360 0.015 . 2 . . . . 23 LEU HD11 . 16642 1
150 . 1 1 23 23 LEU HD13 H 1 0.8360 0.015 . 2 . . . . 23 LEU HD11 . 16642 1
151 . 1 1 23 23 LEU HD21 H 1 0.5700 0.015 . 2 . . . . 23 LEU HD21 . 16642 1
152 . 1 1 23 23 LEU HD22 H 1 0.5700 0.015 . 2 . . . . 23 LEU HD21 . 16642 1
153 . 1 1 23 23 LEU HD23 H 1 0.5700 0.015 . 2 . . . . 23 LEU HD21 . 16642 1
154 . 1 1 23 23 LEU HG H 1 1.9160 0.015 . 1 . . . . 23 LEU HG . 16642 1
155 . 1 1 24 24 ILE H H 1 8.8840 0.015 . 1 . . . . 24 ILE HN . 16642 1
156 . 1 1 24 24 ILE HA H 1 4.7670 0.015 . 1 . . . . 24 ILE HA . 16642 1
157 . 1 1 24 24 ILE HB H 1 1.8400 0.015 . 1 . . . . 24 ILE HB . 16642 1
158 . 1 1 24 24 ILE HD11 H 1 0.8040 0.015 . 1 . . . . 24 ILE HD11 . 16642 1
159 . 1 1 24 24 ILE HD12 H 1 0.8040 0.015 . 1 . . . . 24 ILE HD11 . 16642 1
160 . 1 1 24 24 ILE HD13 H 1 0.8040 0.015 . 1 . . . . 24 ILE HD11 . 16642 1
161 . 1 1 24 24 ILE HG12 H 1 1.1050 0.015 . 2 . . . . 24 ILE HG11 . 16642 1
162 . 1 1 24 24 ILE HG13 H 1 1.3370 0.015 . 2 . . . . 24 ILE HG12 . 16642 1
163 . 1 1 24 24 ILE HG21 H 1 0.9040 0.015 . 1 . . . . 24 ILE HG21 . 16642 1
164 . 1 1 24 24 ILE HG22 H 1 0.9040 0.015 . 1 . . . . 24 ILE HG21 . 16642 1
165 . 1 1 24 24 ILE HG23 H 1 0.9040 0.015 . 1 . . . . 24 ILE HG21 . 16642 1
166 . 1 1 25 25 VAL H H 1 8.0950 0.015 . 1 . . . . 25 VAL HN . 16642 1
167 . 1 1 25 25 VAL HA H 1 2.9350 0.015 . 1 . . . . 25 VAL HA . 16642 1
168 . 1 1 25 25 VAL HB H 1 1.8160 0.015 . 1 . . . . 25 VAL HB . 16642 1
169 . 1 1 25 25 VAL HG11 H 1 0.7990 0.015 . 2 . . . . 25 VAL HG11 . 16642 1
170 . 1 1 25 25 VAL HG12 H 1 0.7990 0.015 . 2 . . . . 25 VAL HG11 . 16642 1
171 . 1 1 25 25 VAL HG13 H 1 0.7990 0.015 . 2 . . . . 25 VAL HG11 . 16642 1
172 . 1 1 25 25 VAL HG21 H 1 0.9000 0.015 . 2 . . . . 25 VAL HG21 . 16642 1
173 . 1 1 25 25 VAL HG22 H 1 0.9000 0.015 . 2 . . . . 25 VAL HG21 . 16642 1
174 . 1 1 25 25 VAL HG23 H 1 0.9000 0.015 . 2 . . . . 25 VAL HG21 . 16642 1
175 . 1 1 26 26 GLY H H 1 8.4230 0.015 . 1 . . . . 26 GLY HN . 16642 1
176 . 1 1 26 26 GLY HA2 H 1 3.3770 0.015 . 2 . . . . 26 GLY HA1 . 16642 1
177 . 1 1 26 26 GLY HA3 H 1 4.5000 0.015 . 2 . . . . 26 GLY HA2 . 16642 1
178 . 1 1 27 27 ASP H H 1 8.3800 0.015 . 1 . . . . 27 ASP HN . 16642 1
179 . 1 1 27 27 ASP HA H 1 4.4960 0.015 . 1 . . . . 27 ASP HA . 16642 1
180 . 1 1 27 27 ASP HB2 H 1 2.3940 0.015 . 2 . . . . 27 ASP HB1 . 16642 1
181 . 1 1 27 27 ASP HB3 H 1 2.8010 0.015 . 2 . . . . 27 ASP HB2 . 16642 1
182 . 1 1 28 28 VAL H H 1 8.1470 0.015 . 1 . . . . 28 VAL HN . 16642 1
183 . 1 1 28 28 VAL HA H 1 4.8780 0.015 . 1 . . . . 28 VAL HA . 16642 1
184 . 1 1 28 28 VAL HB H 1 1.8670 0.015 . 1 . . . . 28 VAL HB . 16642 1
185 . 1 1 28 28 VAL HG11 H 1 0.7770 0.015 . 2 . . . . 28 VAL HG11 . 16642 1
186 . 1 1 28 28 VAL HG12 H 1 0.7770 0.015 . 2 . . . . 28 VAL HG11 . 16642 1
187 . 1 1 28 28 VAL HG13 H 1 0.7770 0.015 . 2 . . . . 28 VAL HG11 . 16642 1
188 . 1 1 28 28 VAL HG21 H 1 0.9170 0.015 . 2 . . . . 28 VAL HG21 . 16642 1
189 . 1 1 28 28 VAL HG22 H 1 0.9170 0.015 . 2 . . . . 28 VAL HG21 . 16642 1
190 . 1 1 28 28 VAL HG23 H 1 0.9170 0.015 . 2 . . . . 28 VAL HG21 . 16642 1
191 . 1 1 29 29 ILE H H 1 8.7760 0.015 . 1 . . . . 29 ILE HN . 16642 1
192 . 1 1 29 29 ILE HA H 1 4.2460 0.015 . 1 . . . . 29 ILE HA . 16642 1
193 . 1 1 29 29 ILE HB H 1 1.3440 0.015 . 1 . . . . 29 ILE HB . 16642 1
194 . 1 1 29 29 ILE HD11 H 1 -0.1860 0.015 . 1 . . . . 29 ILE HD11 . 16642 1
195 . 1 1 29 29 ILE HD12 H 1 -0.1860 0.015 . 1 . . . . 29 ILE HD11 . 16642 1
196 . 1 1 29 29 ILE HD13 H 1 -0.1860 0.015 . 1 . . . . 29 ILE HD11 . 16642 1
197 . 1 1 29 29 ILE HG12 H 1 0.5110 0.015 . 2 . . . . 29 ILE HG11 . 16642 1
198 . 1 1 29 29 ILE HG13 H 1 1.1080 0.015 . 2 . . . . 29 ILE HG12 . 16642 1
199 . 1 1 29 29 ILE HG21 H 1 0.4590 0.015 . 1 . . . . 29 ILE HG21 . 16642 1
200 . 1 1 29 29 ILE HG22 H 1 0.4590 0.015 . 1 . . . . 29 ILE HG21 . 16642 1
201 . 1 1 29 29 ILE HG23 H 1 0.4590 0.015 . 1 . . . . 29 ILE HG21 . 16642 1
202 . 1 1 30 30 ASP H H 1 8.1950 0.015 . 1 . . . . 30 ASP HN . 16642 1
203 . 1 1 30 30 ASP HA H 1 5.0820 0.015 . 1 . . . . 30 ASP HA . 16642 1
204 . 1 1 30 30 ASP HB2 H 1 2.6830 0.015 . 2 . . . . 30 ASP HB1 . 16642 1
205 . 1 1 30 30 ASP HB3 H 1 2.8230 0.015 . 2 . . . . 30 ASP HB2 . 16642 1
206 . 1 1 31 31 VAL H H 1 8.5710 0.015 . 1 . . . . 31 VAL HN . 16642 1
207 . 1 1 31 31 VAL HA H 1 3.9770 0.015 . 1 . . . . 31 VAL HA . 16642 1
208 . 1 1 31 31 VAL HB H 1 1.9020 0.015 . 1 . . . . 31 VAL HB . 16642 1
209 . 1 1 31 31 VAL HG11 H 1 0.7110 0.015 . 2 . . . . 31 VAL HG11 . 16642 1
210 . 1 1 31 31 VAL HG12 H 1 0.7110 0.015 . 2 . . . . 31 VAL HG11 . 16642 1
211 . 1 1 31 31 VAL HG13 H 1 0.7110 0.015 . 2 . . . . 31 VAL HG11 . 16642 1
212 . 1 1 31 31 VAL HG21 H 1 1.1610 0.015 . 2 . . . . 31 VAL HG21 . 16642 1
213 . 1 1 31 31 VAL HG22 H 1 1.1610 0.015 . 2 . . . . 31 VAL HG21 . 16642 1
214 . 1 1 31 31 VAL HG23 H 1 1.1610 0.015 . 2 . . . . 31 VAL HG21 . 16642 1
215 . 1 1 32 32 ILE H H 1 9.4570 0.015 . 1 . . . . 32 ILE HN . 16642 1
216 . 1 1 32 32 ILE HA H 1 4.2190 0.015 . 1 . . . . 32 ILE HA . 16642 1
217 . 1 1 32 32 ILE HB H 1 1.8340 0.015 . 1 . . . . 32 ILE HB . 16642 1
218 . 1 1 32 32 ILE HD11 H 1 0.8180 0.015 . 1 . . . . 32 ILE HD11 . 16642 1
219 . 1 1 32 32 ILE HD12 H 1 0.8180 0.015 . 1 . . . . 32 ILE HD11 . 16642 1
220 . 1 1 32 32 ILE HD13 H 1 0.8180 0.015 . 1 . . . . 32 ILE HD11 . 16642 1
221 . 1 1 32 32 ILE HG12 H 1 1.1630 0.015 . 2 . . . . 32 ILE HG11 . 16642 1
222 . 1 1 32 32 ILE HG13 H 1 1.5590 0.015 . 2 . . . . 32 ILE HG12 . 16642 1
223 . 1 1 32 32 ILE HG21 H 1 0.8530 0.015 . 1 . . . . 32 ILE HG21 . 16642 1
224 . 1 1 32 32 ILE HG22 H 1 0.8530 0.015 . 1 . . . . 32 ILE HG21 . 16642 1
225 . 1 1 32 32 ILE HG23 H 1 0.8530 0.015 . 1 . . . . 32 ILE HG21 . 16642 1
226 . 1 1 33 33 GLU H H 1 7.7000 0.015 . 1 . . . . 33 GLU HN . 16642 1
227 . 1 1 33 33 GLU HA H 1 4.4910 0.015 . 1 . . . . 33 GLU HA . 16642 1
228 . 1 1 33 33 GLU HB2 H 1 1.8940 0.015 . 2 . . . . 33 GLU HB1 . 16642 1
229 . 1 1 33 33 GLU HB3 H 1 1.9890 0.015 . 2 . . . . 33 GLU HB2 . 16642 1
230 . 1 1 33 33 GLU HG2 H 1 1.9890 0.015 . 2 . . . . 33 GLU HG1 . 16642 1
231 . 1 1 33 33 GLU HG3 H 1 1.9890 0.015 . 2 . . . . 33 GLU HG2 . 16642 1
232 . 1 1 34 34 GLU H H 1 8.4750 0.015 . 1 . . . . 34 GLU HN . 16642 1
233 . 1 1 34 34 GLU HA H 1 4.2520 0.015 . 1 . . . . 34 GLU HA . 16642 1
234 . 1 1 34 34 GLU HB2 H 1 1.6650 0.015 . 2 . . . . 34 GLU HB1 . 16642 1
235 . 1 1 34 34 GLU HB3 H 1 1.7500 0.015 . 2 . . . . 34 GLU HB2 . 16642 1
236 . 1 1 34 34 GLU HG2 H 1 1.0430 0.015 . 2 . . . . 34 GLU HG1 . 16642 1
237 . 1 1 34 34 GLU HG3 H 1 1.4770 0.015 . 2 . . . . 34 GLU HG2 . 16642 1
238 . 1 1 35 35 VAL H H 1 8.0960 0.015 . 1 . . . . 35 VAL HN . 16642 1
239 . 1 1 35 35 VAL HA H 1 3.9300 0.015 . 1 . . . . 35 VAL HA . 16642 1
240 . 1 1 35 35 VAL HB H 1 1.9870 0.015 . 1 . . . . 35 VAL HB . 16642 1
241 . 1 1 35 35 VAL HG11 H 1 0.9290 0.015 . 2 . . . . 35 VAL HG11 . 16642 1
242 . 1 1 35 35 VAL HG12 H 1 0.9290 0.015 . 2 . . . . 35 VAL HG11 . 16642 1
243 . 1 1 35 35 VAL HG13 H 1 0.9290 0.015 . 2 . . . . 35 VAL HG11 . 16642 1
244 . 1 1 35 35 VAL HG21 H 1 0.9280 0.015 . 2 . . . . 35 VAL HG21 . 16642 1
245 . 1 1 35 35 VAL HG22 H 1 0.9280 0.015 . 2 . . . . 35 VAL HG21 . 16642 1
246 . 1 1 35 35 VAL HG23 H 1 0.9280 0.015 . 2 . . . . 35 VAL HG21 . 16642 1
247 . 1 1 36 36 GLU H H 1 8.3750 0.015 . 1 . . . . 36 GLU HN . 16642 1
248 . 1 1 36 36 GLU HA H 1 4.6130 0.015 . 1 . . . . 36 GLU HA . 16642 1
249 . 1 1 36 36 GLU HB2 H 1 2.0830 0.015 . 2 . . . . 36 GLU HB1 . 16642 1
250 . 1 1 36 36 GLU HB3 H 1 2.2440 0.015 . 2 . . . . 36 GLU HB2 . 16642 1
251 . 1 1 36 36 GLU HG2 H 1 2.2840 0.015 . 2 . . . . 36 GLU HG1 . 16642 1
252 . 1 1 36 36 GLU HG3 H 1 2.3210 0.015 . 2 . . . . 36 GLU HG2 . 16642 1
253 . 1 1 37 37 GLU H H 1 8.9400 0.015 . 1 . . . . 37 GLU HN . 16642 1
254 . 1 1 37 37 GLU HA H 1 4.1010 0.015 . 1 . . . . 37 GLU HA . 16642 1
255 . 1 1 37 37 GLU HB2 H 1 2.0260 0.015 . 2 . . . . 37 GLU HB1 . 16642 1
256 . 1 1 37 37 GLU HB3 H 1 2.0800 0.015 . 2 . . . . 37 GLU HB2 . 16642 1
257 . 1 1 37 37 GLU HG2 H 1 2.2800 0.015 . 2 . . . . 37 GLU HG1 . 16642 1
258 . 1 1 37 37 GLU HG3 H 1 2.2870 0.015 . 2 . . . . 37 GLU HG2 . 16642 1
259 . 1 1 38 38 GLY H H 1 8.8500 0.015 . 1 . . . . 38 GLY HN . 16642 1
260 . 1 1 38 38 GLY HA2 H 1 3.6190 0.015 . 2 . . . . 38 GLY HA1 . 16642 1
261 . 1 1 38 38 GLY HA3 H 1 3.9630 0.015 . 2 . . . . 38 GLY HA2 . 16642 1
262 . 1 1 39 39 TRP H H 1 8.2940 0.015 . 1 . . . . 39 TRP HN . 16642 1
263 . 1 1 39 39 TRP HA H 1 4.8910 0.015 . 1 . . . . 39 TRP HA . 16642 1
264 . 1 1 39 39 TRP HB2 H 1 2.7310 0.015 . 2 . . . . 39 TRP HB1 . 16642 1
265 . 1 1 39 39 TRP HB3 H 1 2.9060 0.015 . 2 . . . . 39 TRP HB2 . 16642 1
266 . 1 1 39 39 TRP HD1 H 1 7.0900 0.015 . 1 . . . . 39 TRP HD1 . 16642 1
267 . 1 1 39 39 TRP HE1 H 1 9.9470 0.015 . 1 . . . . 39 TRP HE1 . 16642 1
268 . 1 1 39 39 TRP HE3 H 1 6.5070 0.015 . 1 . . . . 39 TRP HE3 . 16642 1
269 . 1 1 39 39 TRP HH2 H 1 7.1850 0.015 . 1 . . . . 39 TRP HH2 . 16642 1
270 . 1 1 39 39 TRP HZ2 H 1 7.3750 0.015 . 1 . . . . 39 TRP HZ2 . 16642 1
271 . 1 1 39 39 TRP HZ3 H 1 7.1460 0.015 . 1 . . . . 39 TRP HZ3 . 16642 1
272 . 1 1 40 40 TRP H H 1 8.4830 0.015 . 1 . . . . 40 TRP HN . 16642 1
273 . 1 1 40 40 TRP HA H 1 5.3480 0.015 . 1 . . . . 40 TRP HA . 16642 1
274 . 1 1 40 40 TRP HB2 H 1 1.9810 0.015 . 2 . . . . 40 TRP HB1 . 16642 1
275 . 1 1 40 40 TRP HB3 H 1 2.8540 0.015 . 2 . . . . 40 TRP HB2 . 16642 1
276 . 1 1 40 40 TRP HD1 H 1 7.1560 0.015 . 1 . . . . 40 TRP HD1 . 16642 1
277 . 1 1 40 40 TRP HE1 H 1 10.0640 0.015 . 1 . . . . 40 TRP HE1 . 16642 1
278 . 1 1 40 40 TRP HE3 H 1 7.4510 0.015 . 1 . . . . 40 TRP HE3 . 16642 1
279 . 1 1 40 40 TRP HH2 H 1 7.1700 0.015 . 1 . . . . 40 TRP HH2 . 16642 1
280 . 1 1 40 40 TRP HZ2 H 1 7.4180 0.015 . 1 . . . . 40 TRP HZ2 . 16642 1
281 . 1 1 40 40 TRP HZ3 H 1 6.8740 0.015 . 1 . . . . 40 TRP HZ3 . 16642 1
282 . 1 1 41 41 SER H H 1 9.1170 0.015 . 1 . . . . 41 SER HN . 16642 1
283 . 1 1 41 41 SER HA H 1 5.6950 0.015 . 1 . . . . 41 SER HA . 16642 1
284 . 1 1 41 41 SER HB2 H 1 3.7190 0.015 . 2 . . . . 41 SER HB1 . 16642 1
285 . 1 1 41 41 SER HB3 H 1 3.7850 0.015 . 2 . . . . 41 SER HB2 . 16642 1
286 . 1 1 42 42 GLY H H 1 9.3160 0.015 . 1 . . . . 42 GLY HN . 16642 1
287 . 1 1 42 42 GLY HA2 H 1 4.2240 0.015 . 2 . . . . 42 GLY HA1 . 16642 1
288 . 1 1 42 42 GLY HA3 H 1 4.8110 0.015 . 2 . . . . 42 GLY HA2 . 16642 1
289 . 1 1 43 43 THR H H 1 8.9570 0.015 . 1 . . . . 43 THR HN . 16642 1
290 . 1 1 43 43 THR HA H 1 5.6990 0.015 . 1 . . . . 43 THR HA . 16642 1
291 . 1 1 43 43 THR HB H 1 3.9650 0.015 . 1 . . . . 43 THR HB . 16642 1
292 . 1 1 43 43 THR HG21 H 1 1.1430 0.015 . 1 . . . . 43 THR HG21 . 16642 1
293 . 1 1 43 43 THR HG22 H 1 1.1430 0.015 . 1 . . . . 43 THR HG21 . 16642 1
294 . 1 1 43 43 THR HG23 H 1 1.1430 0.015 . 1 . . . . 43 THR HG21 . 16642 1
295 . 1 1 44 44 LEU H H 1 8.6330 0.015 . 1 . . . . 44 LEU HN . 16642 1
296 . 1 1 44 44 LEU HA H 1 4.6820 0.015 . 1 . . . . 44 LEU HA . 16642 1
297 . 1 1 44 44 LEU HB2 H 1 1.3320 0.015 . 2 . . . . 44 LEU HB1 . 16642 1
298 . 1 1 44 44 LEU HB3 H 1 1.7750 0.015 . 2 . . . . 44 LEU HB2 . 16642 1
299 . 1 1 44 44 LEU HD11 H 1 0.9100 0.015 . 2 . . . . 44 LEU HD11 . 16642 1
300 . 1 1 44 44 LEU HD12 H 1 0.9100 0.015 . 2 . . . . 44 LEU HD11 . 16642 1
301 . 1 1 44 44 LEU HD13 H 1 0.9100 0.015 . 2 . . . . 44 LEU HD11 . 16642 1
302 . 1 1 44 44 LEU HD21 H 1 0.8750 0.015 . 2 . . . . 44 LEU HD21 . 16642 1
303 . 1 1 44 44 LEU HD22 H 1 0.8750 0.015 . 2 . . . . 44 LEU HD21 . 16642 1
304 . 1 1 44 44 LEU HD23 H 1 0.8750 0.015 . 2 . . . . 44 LEU HD21 . 16642 1
305 . 1 1 44 44 LEU HG H 1 1.4730 0.015 . 1 . . . . 44 LEU HG . 16642 1
306 . 1 1 45 45 ASN H H 1 9.7900 0.015 . 1 . . . . 45 ASN HN . 16642 1
307 . 1 1 45 45 ASN HA H 1 4.3430 0.015 . 1 . . . . 45 ASN HA . 16642 1
308 . 1 1 45 45 ASN HB2 H 1 2.7810 0.015 . 2 . . . . 45 ASN HB1 . 16642 1
309 . 1 1 45 45 ASN HB3 H 1 2.9740 0.015 . 2 . . . . 45 ASN HB2 . 16642 1
310 . 1 1 45 45 ASN HD21 H 1 7.7760 0.015 . 2 . . . . 45 ASN HD21 . 16642 1
311 . 1 1 45 45 ASN HD22 H 1 7.1390 0.015 . 2 . . . . 45 ASN HD22 . 16642 1
312 . 1 1 46 46 ASN H H 1 8.8780 0.015 . 1 . . . . 46 ASN HN . 16642 1
313 . 1 1 46 46 ASN HA H 1 4.1840 0.015 . 1 . . . . 46 ASN HA . 16642 1
314 . 1 1 46 46 ASN HB2 H 1 3.0390 0.015 . 2 . . . . 46 ASN HB1 . 16642 1
315 . 1 1 46 46 ASN HB3 H 1 3.0470 0.015 . 2 . . . . 46 ASN HB2 . 16642 1
316 . 1 1 46 46 ASN HD21 H 1 7.5300 0.015 . 2 . . . . 46 ASN HD21 . 16642 1
317 . 1 1 46 46 ASN HD22 H 1 6.8960 0.015 . 2 . . . . 46 ASN HD22 . 16642 1
318 . 1 1 47 47 LYS H H 1 7.8800 0.015 . 1 . . . . 47 LYS HN . 16642 1
319 . 1 1 47 47 LYS HA H 1 4.5890 0.015 . 1 . . . . 47 LYS HA . 16642 1
320 . 1 1 47 47 LYS HB2 H 1 1.7890 0.015 . 2 . . . . 47 LYS HB1 . 16642 1
321 . 1 1 47 47 LYS HB3 H 1 1.9100 0.015 . 2 . . . . 47 LYS HB2 . 16642 1
322 . 1 1 47 47 LYS HD2 H 1 1.6870 0.015 . 2 . . . . 47 LYS HD1 . 16642 1
323 . 1 1 47 47 LYS HD3 H 1 1.6870 0.015 . 2 . . . . 47 LYS HD2 . 16642 1
324 . 1 1 47 47 LYS HE2 H 1 3.0780 0.015 . 2 . . . . 47 LYS HE1 . 16642 1
325 . 1 1 47 47 LYS HE3 H 1 3.0800 0.015 . 2 . . . . 47 LYS HE2 . 16642 1
326 . 1 1 47 47 LYS HG2 H 1 1.3370 0.015 . 2 . . . . 47 LYS HG1 . 16642 1
327 . 1 1 47 47 LYS HG3 H 1 1.4840 0.015 . 2 . . . . 47 LYS HG2 . 16642 1
328 . 1 1 48 48 LEU H H 1 8.3180 0.015 . 1 . . . . 48 LEU HN . 16642 1
329 . 1 1 48 48 LEU HA H 1 5.2140 0.015 . 1 . . . . 48 LEU HA . 16642 1
330 . 1 1 48 48 LEU HB2 H 1 1.7120 0.015 . 2 . . . . 48 LEU HB1 . 16642 1
331 . 1 1 48 48 LEU HB3 H 1 1.7080 0.015 . 2 . . . . 48 LEU HB2 . 16642 1
332 . 1 1 48 48 LEU HD11 H 1 0.8420 0.015 . 2 . . . . 48 LEU HD11 . 16642 1
333 . 1 1 48 48 LEU HD12 H 1 0.8420 0.015 . 2 . . . . 48 LEU HD11 . 16642 1
334 . 1 1 48 48 LEU HD13 H 1 0.8420 0.015 . 2 . . . . 48 LEU HD11 . 16642 1
335 . 1 1 48 48 LEU HD21 H 1 0.8430 0.015 . 2 . . . . 48 LEU HD21 . 16642 1
336 . 1 1 48 48 LEU HD22 H 1 0.8430 0.015 . 2 . . . . 48 LEU HD21 . 16642 1
337 . 1 1 48 48 LEU HD23 H 1 0.8430 0.015 . 2 . . . . 48 LEU HD21 . 16642 1
338 . 1 1 48 48 LEU HG H 1 1.4850 0.015 . 1 . . . . 48 LEU HG . 16642 1
339 . 1 1 49 49 GLY H H 1 9.0820 0.015 . 1 . . . . 49 GLY HN . 16642 1
340 . 1 1 49 49 GLY HA2 H 1 3.9100 0.015 . 2 . . . . 49 GLY HA1 . 16642 1
341 . 1 1 49 49 GLY HA3 H 1 4.4640 0.015 . 2 . . . . 49 GLY HA2 . 16642 1
342 . 1 1 50 50 LEU H H 1 8.6110 0.015 . 1 . . . . 50 LEU HN . 16642 1
343 . 1 1 50 50 LEU HA H 1 5.6550 0.015 . 1 . . . . 50 LEU HA . 16642 1
344 . 1 1 50 50 LEU HB2 H 1 1.6760 0.015 . 2 . . . . 50 LEU HB1 . 16642 1
345 . 1 1 50 50 LEU HB3 H 1 1.7310 0.015 . 2 . . . . 50 LEU HB2 . 16642 1
346 . 1 1 50 50 LEU HD11 H 1 0.8110 0.015 . 2 . . . . 50 LEU HD11 . 16642 1
347 . 1 1 50 50 LEU HD12 H 1 0.8110 0.015 . 2 . . . . 50 LEU HD11 . 16642 1
348 . 1 1 50 50 LEU HD13 H 1 0.8110 0.015 . 2 . . . . 50 LEU HD11 . 16642 1
349 . 1 1 50 50 LEU HD21 H 1 0.7270 0.015 . 2 . . . . 50 LEU HD21 . 16642 1
350 . 1 1 50 50 LEU HD22 H 1 0.7270 0.015 . 2 . . . . 50 LEU HD21 . 16642 1
351 . 1 1 50 50 LEU HD23 H 1 0.7270 0.015 . 2 . . . . 50 LEU HD21 . 16642 1
352 . 1 1 50 50 LEU HG H 1 1.7810 0.015 . 1 . . . . 50 LEU HG . 16642 1
353 . 1 1 51 51 PHE H H 1 9.2530 0.015 . 1 . . . . 51 PHE HN . 16642 1
354 . 1 1 51 51 PHE HA H 1 5.1530 0.015 . 1 . . . . 51 PHE HA . 16642 1
355 . 1 1 51 51 PHE HB2 H 1 2.7120 0.015 . 2 . . . . 51 PHE HB1 . 16642 1
356 . 1 1 51 51 PHE HB3 H 1 3.0910 0.015 . 2 . . . . 51 PHE HB2 . 16642 1
357 . 1 1 51 51 PHE HD1 H 1 6.8680 0.015 . 3 . . . . 51 PHE HD1 . 16642 1
358 . 1 1 51 51 PHE HD2 H 1 6.8680 0.015 . 3 . . . . 51 PHE HD2 . 16642 1
359 . 1 1 51 51 PHE HE1 H 1 6.9760 0.015 . 3 . . . . 51 PHE HE1 . 16642 1
360 . 1 1 51 51 PHE HE2 H 1 6.9760 0.015 . 3 . . . . 51 PHE HE2 . 16642 1
361 . 1 1 51 51 PHE HZ H 1 7.2690 0.015 . 1 . . . . 51 PHE HZ . 16642 1
362 . 1 1 52 52 PRO HA H 1 3.7340 0.015 . 1 . . . . 52 PRO HA . 16642 1
363 . 1 1 52 52 PRO HB2 H 1 1.2950 0.015 . 2 . . . . 52 PRO HB1 . 16642 1
364 . 1 1 52 52 PRO HB3 H 1 1.2950 0.015 . 2 . . . . 52 PRO HB2 . 16642 1
365 . 1 1 52 52 PRO HD2 H 1 2.7510 0.015 . 2 . . . . 52 PRO HD1 . 16642 1
366 . 1 1 52 52 PRO HD3 H 1 2.7980 0.015 . 2 . . . . 52 PRO HD2 . 16642 1
367 . 1 1 52 52 PRO HG2 H 1 0.1850 0.015 . 2 . . . . 52 PRO HG1 . 16642 1
368 . 1 1 52 52 PRO HG3 H 1 0.7160 0.015 . 2 . . . . 52 PRO HG2 . 16642 1
369 . 1 1 53 53 SER H H 1 7.5960 0.015 . 1 . . . . 53 SER HN . 16642 1
370 . 1 1 53 53 SER HA H 1 4.7700 0.015 . 1 . . . . 53 SER HA . 16642 1
371 . 1 1 53 53 SER HB2 H 1 1.7590 0.015 . 2 . . . . 53 SER HB1 . 16642 1
372 . 1 1 53 53 SER HB3 H 1 3.0030 0.015 . 2 . . . . 53 SER HB2 . 16642 1
373 . 1 1 54 54 ASN H H 1 8.3700 0.015 . 1 . . . . 54 ASN HN . 16642 1
374 . 1 1 54 54 ASN HA H 1 4.5990 0.015 . 1 . . . . 54 ASN HA . 16642 1
375 . 1 1 54 54 ASN HB2 H 1 2.6540 0.015 . 2 . . . . 54 ASN HB1 . 16642 1
376 . 1 1 54 54 ASN HB3 H 1 2.8050 0.015 . 2 . . . . 54 ASN HB2 . 16642 1
377 . 1 1 54 54 ASN HD21 H 1 7.4550 0.015 . 2 . . . . 54 ASN HD21 . 16642 1
378 . 1 1 54 54 ASN HD22 H 1 6.7230 0.015 . 2 . . . . 54 ASN HD22 . 16642 1
379 . 1 1 55 55 PHE H H 1 7.6340 0.015 . 1 . . . . 55 PHE HN . 16642 1
380 . 1 1 55 55 PHE HA H 1 4.7510 0.015 . 1 . . . . 55 PHE HA . 16642 1
381 . 1 1 55 55 PHE HB2 H 1 3.0590 0.015 . 2 . . . . 55 PHE HB1 . 16642 1
382 . 1 1 55 55 PHE HB3 H 1 3.6080 0.015 . 2 . . . . 55 PHE HB2 . 16642 1
383 . 1 1 55 55 PHE HD1 H 1 7.1570 0.015 . 3 . . . . 55 PHE HD1 . 16642 1
384 . 1 1 55 55 PHE HD2 H 1 7.1570 0.015 . 3 . . . . 55 PHE HD2 . 16642 1
385 . 1 1 55 55 PHE HE1 H 1 6.8540 0.015 . 3 . . . . 55 PHE HE1 . 16642 1
386 . 1 1 55 55 PHE HE2 H 1 6.8540 0.015 . 3 . . . . 55 PHE HE2 . 16642 1
387 . 1 1 56 56 VAL H H 1 7.2480 0.015 . 1 . . . . 56 VAL HN . 16642 1
388 . 1 1 56 56 VAL HA H 1 5.3470 0.015 . 1 . . . . 56 VAL HA . 16642 1
389 . 1 1 56 56 VAL HB H 1 1.7700 0.015 . 1 . . . . 56 VAL HB . 16642 1
390 . 1 1 56 56 VAL HG11 H 1 0.7040 0.015 . 2 . . . . 56 VAL HG11 . 16642 1
391 . 1 1 56 56 VAL HG12 H 1 0.7040 0.015 . 2 . . . . 56 VAL HG11 . 16642 1
392 . 1 1 56 56 VAL HG13 H 1 0.7040 0.015 . 2 . . . . 56 VAL HG11 . 16642 1
393 . 1 1 56 56 VAL HG21 H 1 0.8670 0.015 . 2 . . . . 56 VAL HG21 . 16642 1
394 . 1 1 56 56 VAL HG22 H 1 0.8670 0.015 . 2 . . . . 56 VAL HG21 . 16642 1
395 . 1 1 56 56 VAL HG23 H 1 0.8670 0.015 . 2 . . . . 56 VAL HG21 . 16642 1
396 . 1 1 57 57 LYS H H 1 8.7850 0.015 . 1 . . . . 57 LYS HN . 16642 1
397 . 1 1 57 57 LYS HA H 1 4.7550 0.015 . 1 . . . . 57 LYS HA . 16642 1
398 . 1 1 57 57 LYS HB2 H 1 1.6770 0.015 . 2 . . . . 57 LYS HB1 . 16642 1
399 . 1 1 57 57 LYS HB3 H 1 1.7550 0.015 . 2 . . . . 57 LYS HB2 . 16642 1
400 . 1 1 57 57 LYS HD2 H 1 1.7340 0.015 . 2 . . . . 57 LYS HD1 . 16642 1
401 . 1 1 57 57 LYS HD3 H 1 1.7340 0.015 . 2 . . . . 57 LYS HD2 . 16642 1
402 . 1 1 57 57 LYS HE2 H 1 2.9980 0.015 . 2 . . . . 57 LYS HE1 . 16642 1
403 . 1 1 57 57 LYS HE3 H 1 2.9980 0.015 . 2 . . . . 57 LYS HE2 . 16642 1
404 . 1 1 57 57 LYS HG2 H 1 1.4510 0.015 . 2 . . . . 57 LYS HG1 . 16642 1
405 . 1 1 57 57 LYS HG3 H 1 1.4510 0.015 . 2 . . . . 57 LYS HG2 . 16642 1
406 . 1 1 58 58 GLU H H 1 9.2550 0.015 . 1 . . . . 58 GLU HN . 16642 1
407 . 1 1 58 58 GLU HA H 1 4.4080 0.015 . 1 . . . . 58 GLU HA . 16642 1
408 . 1 1 58 58 GLU HB2 H 1 2.1390 0.015 . 2 . . . . 58 GLU HB1 . 16642 1
409 . 1 1 58 58 GLU HB3 H 1 2.1430 0.015 . 2 . . . . 58 GLU HB2 . 16642 1
410 . 1 1 58 58 GLU HG2 H 1 2.4380 0.015 . 2 . . . . 58 GLU HG1 . 16642 1
411 . 1 1 58 58 GLU HG3 H 1 2.4860 0.015 . 2 . . . . 58 GLU HG2 . 16642 1
412 . 1 1 59 59 LEU H H 1 8.4180 0.015 . 1 . . . . 59 LEU HN . 16642 1
413 . 1 1 59 59 LEU HA H 1 4.3980 0.015 . 1 . . . . 59 LEU HA . 16642 1
414 . 1 1 59 59 LEU HB2 H 1 1.5770 0.015 . 2 . . . . 59 LEU HB1 . 16642 1
415 . 1 1 59 59 LEU HB3 H 1 1.6780 0.015 . 2 . . . . 59 LEU HB2 . 16642 1
416 . 1 1 59 59 LEU HD11 H 1 0.8740 0.015 . 2 . . . . 59 LEU HD11 . 16642 1
417 . 1 1 59 59 LEU HD12 H 1 0.8740 0.015 . 2 . . . . 59 LEU HD11 . 16642 1
418 . 1 1 59 59 LEU HD13 H 1 0.8740 0.015 . 2 . . . . 59 LEU HD11 . 16642 1
419 . 1 1 59 59 LEU HD21 H 1 1.2390 0.015 . 2 . . . . 59 LEU HD21 . 16642 1
420 . 1 1 59 59 LEU HD22 H 1 1.2390 0.015 . 2 . . . . 59 LEU HD21 . 16642 1
421 . 1 1 59 59 LEU HD23 H 1 1.2390 0.015 . 2 . . . . 59 LEU HD21 . 16642 1
422 . 1 1 59 59 LEU HG H 1 1.6410 0.015 . 1 . . . . 59 LEU HG . 16642 1
423 . 1 1 60 60 GLU H H 1 8.0820 0.015 . 1 . . . . 60 GLU HN . 16642 1
424 . 1 1 60 60 GLU HA H 1 4.1650 0.015 . 1 . . . . 60 GLU HA . 16642 1
425 . 1 1 60 60 GLU HB2 H 1 1.9090 0.015 . 2 . . . . 60 GLU HB1 . 16642 1
426 . 1 1 60 60 GLU HB3 H 1 1.9090 0.015 . 2 . . . . 60 GLU HB2 . 16642 1
427 . 1 1 60 60 GLU HG2 H 1 2.0690 0.015 . 2 . . . . 60 GLU HG1 . 16642 1
428 . 1 1 60 60 GLU HG3 H 1 2.2230 0.015 . 2 . . . . 60 GLU HG2 . 16642 1
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