data_15407
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15407
_Entry.Title
;
Third SH3 domain of CD2AP
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2007-07-28
_Entry.Accession_date 2007-07-28
_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 Nico 'van Nuland' . A.J. . 15407
2 Jose-Luis 'Ortega Roldan' . . . 15407
3 Maria-Luisa 'Romero Romero' . . . 15407
4 Eiso AB . . . 15407
5 Ari Ora . . . 15407
6 Obdulio 'Lopez Mayorga' . . . 15407
7 Ana Azuaga . I. . 15407
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
1 'not applicable' 'not applicable' . 15407
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
protein . 15407
'SH3 domain' . 15407
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15407
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 275 15407
'15N chemical shifts' 68 15407
'1H chemical shifts' 433 15407
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 . . 2008-07-03 2007-07-30 update BMRB 'complete entry citation' 15407
1 . . 2007-10-16 2007-07-30 original author 'original release' 15407
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2JTE 'BMRB Entry Tracking System' 15407
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 15407
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 17922258
_Citation.Full_citation .
_Citation.Title 'The high resolution NMR structure of the third SH3 domain of CD2AP'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'J. Biomol. NMR'
_Citation.Journal_name_full .
_Citation.Journal_volume 39
_Citation.Journal_issue 4
_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 331
_Citation.Page_last 336
_Citation.Year 2007
_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-Luis 'Ortega Roldan' . . . 15407 1
2 Maria-Luisa 'Romero Romero' . . . 15407 1
3 Ari Ora . . . 15407 1
4 Eiso AB . . . 15407 1
5 Obdulio 'Lopez Mayorga' . . . 15407 1
6 Ana Azuaga . I. . 15407 1
7 Nico 'van Nuland' . A.J. . 15407 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'SH3 domain' 15407 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15407
_Assembly.ID 1
_Assembly.Name 'CD2AP SH3-C 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 SH3-C 1 $SH3-C A . yes native no no . . . 15407 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_SH3-C
_Entity.Sf_category entity
_Entity.Sf_framecode SH3-C
_Entity.Entry_ID 15407
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name SH3-C
_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
;
GAMGAKEYCRTLFPYTGTNE
DELTFREGEIIHLISKETGE
AGWWKGELNGKEGVFPDNFA
VQIS
;
_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 64
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 7148.993
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
loop_
_Entity_db_link.Ordinal
_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
1 no BMRB 16643 . SH3-C . . . . . 100.00 64 100.00 100.00 2.30e-38 . . . . 15407 1
2 no PDB 2JTE . "Third Sh3 Domain Of Cd2ap" . . . . . 100.00 64 100.00 100.00 2.30e-38 . . . . 15407 1
3 no PDB 2KRO . "Rdc Refined High Resolution Structure Of The Third Sh3 Domain Of Cd2ap" . . . . . 100.00 64 100.00 100.00 2.30e-38 . . . . 15407 1
4 no PDB 2LZ6 . "Distinct Ubiquitin Binding Modes Exhibited By Sh3 Domains: Molecular Determinants And Functional Implications" . . . . . 93.75 60 100.00 100.00 2.36e-35 . . . . 15407 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 . 15407 1
2 . ALA . 15407 1
3 . MET . 15407 1
4 . GLY . 15407 1
5 . ALA . 15407 1
6 . LYS . 15407 1
7 . GLU . 15407 1
8 . TYR . 15407 1
9 . CYS . 15407 1
10 . ARG . 15407 1
11 . THR . 15407 1
12 . LEU . 15407 1
13 . PHE . 15407 1
14 . PRO . 15407 1
15 . TYR . 15407 1
16 . THR . 15407 1
17 . GLY . 15407 1
18 . THR . 15407 1
19 . ASN . 15407 1
20 . GLU . 15407 1
21 . ASP . 15407 1
22 . GLU . 15407 1
23 . LEU . 15407 1
24 . THR . 15407 1
25 . PHE . 15407 1
26 . ARG . 15407 1
27 . GLU . 15407 1
28 . GLY . 15407 1
29 . GLU . 15407 1
30 . ILE . 15407 1
31 . ILE . 15407 1
32 . HIS . 15407 1
33 . LEU . 15407 1
34 . ILE . 15407 1
35 . SER . 15407 1
36 . LYS . 15407 1
37 . GLU . 15407 1
38 . THR . 15407 1
39 . GLY . 15407 1
40 . GLU . 15407 1
41 . ALA . 15407 1
42 . GLY . 15407 1
43 . TRP . 15407 1
44 . TRP . 15407 1
45 . LYS . 15407 1
46 . GLY . 15407 1
47 . GLU . 15407 1
48 . LEU . 15407 1
49 . ASN . 15407 1
50 . GLY . 15407 1
51 . LYS . 15407 1
52 . GLU . 15407 1
53 . GLY . 15407 1
54 . VAL . 15407 1
55 . PHE . 15407 1
56 . PRO . 15407 1
57 . ASP . 15407 1
58 . ASN . 15407 1
59 . PHE . 15407 1
60 . ALA . 15407 1
61 . VAL . 15407 1
62 . GLN . 15407 1
63 . ILE . 15407 1
64 . SER . 15407 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 15407 1
. ALA 2 2 15407 1
. MET 3 3 15407 1
. GLY 4 4 15407 1
. ALA 5 5 15407 1
. LYS 6 6 15407 1
. GLU 7 7 15407 1
. TYR 8 8 15407 1
. CYS 9 9 15407 1
. ARG 10 10 15407 1
. THR 11 11 15407 1
. LEU 12 12 15407 1
. PHE 13 13 15407 1
. PRO 14 14 15407 1
. TYR 15 15 15407 1
. THR 16 16 15407 1
. GLY 17 17 15407 1
. THR 18 18 15407 1
. ASN 19 19 15407 1
. GLU 20 20 15407 1
. ASP 21 21 15407 1
. GLU 22 22 15407 1
. LEU 23 23 15407 1
. THR 24 24 15407 1
. PHE 25 25 15407 1
. ARG 26 26 15407 1
. GLU 27 27 15407 1
. GLY 28 28 15407 1
. GLU 29 29 15407 1
. ILE 30 30 15407 1
. ILE 31 31 15407 1
. HIS 32 32 15407 1
. LEU 33 33 15407 1
. ILE 34 34 15407 1
. SER 35 35 15407 1
. LYS 36 36 15407 1
. GLU 37 37 15407 1
. THR 38 38 15407 1
. GLY 39 39 15407 1
. GLU 40 40 15407 1
. ALA 41 41 15407 1
. GLY 42 42 15407 1
. TRP 43 43 15407 1
. TRP 44 44 15407 1
. LYS 45 45 15407 1
. GLY 46 46 15407 1
. GLU 47 47 15407 1
. LEU 48 48 15407 1
. ASN 49 49 15407 1
. GLY 50 50 15407 1
. LYS 51 51 15407 1
. GLU 52 52 15407 1
. GLY 53 53 15407 1
. VAL 54 54 15407 1
. PHE 55 55 15407 1
. PRO 56 56 15407 1
. ASP 57 57 15407 1
. ASN 58 58 15407 1
. PHE 59 59 15407 1
. ALA 60 60 15407 1
. VAL 61 61 15407 1
. GLN 62 62 15407 1
. ILE 63 63 15407 1
. SER 64 64 15407 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 15407
_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-C . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15407 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 15407
_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-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM-11 . . . . . . 15407 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 15407
_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-C '[U-98% 13C; U-98% 15N]' . . 1 $SH3-C . . 1 . . mM . . . . 15407 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 15407
_Sample.ID 2
_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-C '[U-98% 15N]' . . 1 $SH3-C . . 1 . . mM . . . . 15407 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 15407
_Sample.ID 3
_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-C 'natural abundance' . . 1 $SH3-C . . 1 . . mM . . . . 15407 3
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 15407
_Sample.ID 4
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% 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-C 'natural abundance' . . 1 $SH3-C . . 1 . . mM . . . . 15407 4
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 15407
_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' 100 . mM 15407 1
pH 2.0 . pH 15407 1
pressure 1 . atm 15407 1
temperature 298 . K 15407 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 15407
_Software.ID 1
_Software.Name CYANA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 15407 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 15407 1
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 15407
_Software.ID 2
_Software.Name CNS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15407 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 15407 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 15407
_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_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 15407
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
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 15407
_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 . . . 15407 1
2 spectrometer_2 Varian INOVA . 800 . . . 15407 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 15407
_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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 1
9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15407 1
10 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15407 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 15407
_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 . . . 1 $entry_citation . . 1 $entry_citation 15407 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 15407 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 15407 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 15407
_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-15N HSQC' . . . 15407 1
3 '3D HNCACB' . . . 15407 1
6 '3D HCCH-TOCSY' . . . 15407 1
7 '3D 1H-15N NOESY' . . . 15407 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 1 1 GLY HA2 H 1 3.849 0.015 . 2 . . . . 1 GLY HA1 . 15407 1
2 . 1 1 1 1 GLY HA3 H 1 3.849 0.015 . 2 . . . . 1 GLY HA2 . 15407 1
3 . 1 1 1 1 GLY C C 13 169.870 0.05 . 1 . . . . 1 GLY C . 15407 1
4 . 1 1 1 1 GLY CA C 13 43.291 0.05 . 1 . . . . 1 GLY CA . 15407 1
5 . 1 1 2 2 ALA H H 1 8.628 0.015 . 1 . . . . 2 ALA HN . 15407 1
6 . 1 1 2 2 ALA HA H 1 4.362 0.015 . 1 . . . . 2 ALA HA . 15407 1
7 . 1 1 2 2 ALA HB1 H 1 1.386 0.015 . 1 . . . . 2 ALA HB1 . 15407 1
8 . 1 1 2 2 ALA HB2 H 1 1.386 0.015 . 1 . . . . 2 ALA HB1 . 15407 1
9 . 1 1 2 2 ALA HB3 H 1 1.386 0.015 . 1 . . . . 2 ALA HB1 . 15407 1
10 . 1 1 2 2 ALA C C 13 177.910 0.05 . 1 . . . . 2 ALA C . 15407 1
11 . 1 1 2 2 ALA CA C 13 52.582 0.05 . 1 . . . . 2 ALA CA . 15407 1
12 . 1 1 2 2 ALA CB C 13 19.405 0.05 . 1 . . . . 2 ALA CB . 15407 1
13 . 1 1 2 2 ALA N N 15 123.924 0.05 . 1 . . . . 2 ALA N . 15407 1
14 . 1 1 3 3 MET H H 1 8.552 0.015 . 1 . . . . 3 MET HN . 15407 1
15 . 1 1 3 3 MET HA H 1 4.465 0.015 . 1 . . . . 3 MET HA . 15407 1
16 . 1 1 3 3 MET HB2 H 1 2.034 0.015 . 2 . . . . 3 MET HB1 . 15407 1
17 . 1 1 3 3 MET HB3 H 1 2.034 0.015 . 2 . . . . 3 MET HB2 . 15407 1
18 . 1 1 3 3 MET HG2 H 1 2.563 0.015 . 2 . . . . 3 MET HG1 . 15407 1
19 . 1 1 3 3 MET HG3 H 1 2.563 0.015 . 2 . . . . 3 MET HG2 . 15407 1
20 . 1 1 3 3 MET C C 13 176.836 0.05 . 1 . . . . 3 MET C . 15407 1
21 . 1 1 3 3 MET CA C 13 55.707 0.05 . 1 . . . . 3 MET CA . 15407 1
22 . 1 1 3 3 MET CB C 13 32.762 0.05 . 1 . . . . 3 MET CB . 15407 1
23 . 1 1 3 3 MET CG C 13 32.016 0.05 . 1 . . . . 3 MET CG . 15407 1
24 . 1 1 3 3 MET N N 15 120.310 0.05 . 1 . . . . 3 MET N . 15407 1
25 . 1 1 4 4 GLY H H 1 8.402 0.015 . 1 . . . . 4 GLY HN . 15407 1
26 . 1 1 4 4 GLY HA2 H 1 3.938 0.015 . 2 . . . . 4 GLY HA1 . 15407 1
27 . 1 1 4 4 GLY HA3 H 1 3.938 0.015 . 2 . . . . 4 GLY HA2 . 15407 1
28 . 1 1 4 4 GLY C C 13 173.800 0.05 . 1 . . . . 4 GLY C . 15407 1
29 . 1 1 4 4 GLY CA C 13 45.291 0.05 . 1 . . . . 4 GLY CA . 15407 1
30 . 1 1 4 4 GLY N N 15 110.627 0.05 . 1 . . . . 4 GLY N . 15407 1
31 . 1 1 5 5 ALA H H 1 8.175 0.015 . 1 . . . . 5 ALA HN . 15407 1
32 . 1 1 5 5 ALA HA H 1 4.339 0.015 . 1 . . . . 5 ALA HA . 15407 1
33 . 1 1 5 5 ALA HB1 H 1 1.389 0.015 . 1 . . . . 5 ALA HB1 . 15407 1
34 . 1 1 5 5 ALA HB2 H 1 1.389 0.015 . 1 . . . . 5 ALA HB1 . 15407 1
35 . 1 1 5 5 ALA HB3 H 1 1.389 0.015 . 1 . . . . 5 ALA HB1 . 15407 1
36 . 1 1 5 5 ALA C C 13 174.182 0.05 . 1 . . . . 5 ALA C . 15407 1
37 . 1 1 5 5 ALA CA C 13 52.554 0.05 . 1 . . . . 5 ALA CA . 15407 1
38 . 1 1 5 5 ALA CB C 13 19.466 0.05 . 1 . . . . 5 ALA CB . 15407 1
39 . 1 1 5 5 ALA N N 15 123.635 0.05 . 1 . . . . 5 ALA N . 15407 1
40 . 1 1 6 6 LYS H H 1 8.408 0.015 . 1 . . . . 6 LYS HN . 15407 1
41 . 1 1 6 6 LYS HA H 1 4.275 0.015 . 1 . . . . 6 LYS HA . 15407 1
42 . 1 1 6 6 LYS HB2 H 1 1.720 0.015 . 2 . . . . 6 LYS HB1 . 15407 1
43 . 1 1 6 6 LYS HB3 H 1 1.573 0.015 . 2 . . . . 6 LYS HB2 . 15407 1
44 . 1 1 6 6 LYS HD2 H 1 1.598 0.015 . 2 . . . . 6 LYS HD1 . 15407 1
45 . 1 1 6 6 LYS HD3 H 1 1.598 0.015 . 2 . . . . 6 LYS HD2 . 15407 1
46 . 1 1 6 6 LYS HE2 H 1 2.958 0.015 . 2 . . . . 6 LYS HE1 . 15407 1
47 . 1 1 6 6 LYS HE3 H 1 2.958 0.015 . 2 . . . . 6 LYS HE2 . 15407 1
48 . 1 1 6 6 LYS HG2 H 1 1.304 0.015 . 2 . . . . 6 LYS HG1 . 15407 1
49 . 1 1 6 6 LYS HG3 H 1 1.304 0.015 . 2 . . . . 6 LYS HG2 . 15407 1
50 . 1 1 6 6 LYS C C 13 175.549 0.05 . 1 . . . . 6 LYS C . 15407 1
51 . 1 1 6 6 LYS CA C 13 56.125 0.05 . 1 . . . . 6 LYS CA . 15407 1
52 . 1 1 6 6 LYS CB C 13 33.079 0.05 . 1 . . . . 6 LYS CB . 15407 1
53 . 1 1 6 6 LYS CD C 13 29.300 0.05 . 1 . . . . 6 LYS CD . 15407 1
54 . 1 1 6 6 LYS CE C 13 42.139 0.05 . 1 . . . . 6 LYS CE . 15407 1
55 . 1 1 6 6 LYS CG C 13 25.227 0.05 . 1 . . . . 6 LYS CG . 15407 1
56 . 1 1 6 6 LYS N N 15 120.889 0.05 . 1 . . . . 6 LYS N . 15407 1
57 . 1 1 7 7 GLU H H 1 8.440 0.015 . 1 . . . . 7 GLU HN . 15407 1
58 . 1 1 7 7 GLU HA H 1 4.604 0.015 . 1 . . . . 7 GLU HA . 15407 1
59 . 1 1 7 7 GLU HB2 H 1 1.952 0.015 . 2 . . . . 7 GLU HB1 . 15407 1
60 . 1 1 7 7 GLU HB3 H 1 1.952 0.015 . 2 . . . . 7 GLU HB2 . 15407 1
61 . 1 1 7 7 GLU HG2 H 1 2.407 0.015 . 2 . . . . 7 GLU HG1 . 15407 1
62 . 1 1 7 7 GLU HG3 H 1 2.309 0.015 . 2 . . . . 7 GLU HG2 . 15407 1
63 . 1 1 7 7 GLU C C 13 174.834 0.05 . 1 . . . . 7 GLU C . 15407 1
64 . 1 1 7 7 GLU CA C 13 54.862 0.05 . 1 . . . . 7 GLU CA . 15407 1
65 . 1 1 7 7 GLU CB C 13 30.213 0.05 . 1 . . . . 7 GLU CB . 15407 1
66 . 1 1 7 7 GLU CG C 13 33.012 0.05 . 1 . . . . 7 GLU CG . 15407 1
67 . 1 1 7 7 GLU N N 15 120.166 0.05 . 1 . . . . 7 GLU N . 15407 1
68 . 1 1 8 8 TYR H H 1 8.766 0.015 . 1 . . . . 8 TYR HN . 15407 1
69 . 1 1 8 8 TYR HA H 1 5.534 0.015 . 1 . . . . 8 TYR HA . 15407 1
70 . 1 1 8 8 TYR HB2 H 1 2.914 0.015 . 2 . . . . 8 TYR HB1 . 15407 1
71 . 1 1 8 8 TYR HB3 H 1 2.667 0.015 . 2 . . . . 8 TYR HB2 . 15407 1
72 . 1 1 8 8 TYR HD1 H 1 6.942 0.015 . 1 . . . . 8 TYR HD1 . 15407 1
73 . 1 1 8 8 TYR HD2 H 1 6.942 0.015 . 1 . . . . 8 TYR HD2 . 15407 1
74 . 1 1 8 8 TYR HE1 H 1 6.563 0.015 . 1 . . . . 8 TYR HE1 . 15407 1
75 . 1 1 8 8 TYR HE2 H 1 6.563 0.015 . 1 . . . . 8 TYR HE2 . 15407 1
76 . 1 1 8 8 TYR C C 13 175.138 0.05 . 1 . . . . 8 TYR C . 15407 1
77 . 1 1 8 8 TYR CA C 13 56.797 0.05 . 1 . . . . 8 TYR CA . 15407 1
78 . 1 1 8 8 TYR CB C 13 42.677 0.05 . 1 . . . . 8 TYR CB . 15407 1
79 . 1 1 8 8 TYR CD1 C 13 133.303 0.05 . 3 . . . . 8 TYR CD1 . 15407 1
80 . 1 1 8 8 TYR CD2 C 13 133.303 0.05 . 3 . . . . 8 TYR CD2 . 15407 1
81 . 1 1 8 8 TYR CE1 C 13 117.571 0.05 . 3 . . . . 8 TYR CE1 . 15407 1
82 . 1 1 8 8 TYR CE2 C 13 117.571 0.05 . 3 . . . . 8 TYR CE2 . 15407 1
83 . 1 1 8 8 TYR N N 15 120.310 0.05 . 1 . . . . 8 TYR N . 15407 1
84 . 1 1 9 9 CYS H H 1 9.291 0.015 . 1 . . . . 9 CYS HN . 15407 1
85 . 1 1 9 9 CYS HA H 1 5.537 0.015 . 1 . . . . 9 CYS HA . 15407 1
86 . 1 1 9 9 CYS HB2 H 1 2.777 0.015 . 2 . . . . 9 CYS HB1 . 15407 1
87 . 1 1 9 9 CYS HB3 H 1 2.667 0.015 . 2 . . . . 9 CYS HB2 . 15407 1
88 . 1 1 9 9 CYS C C 13 171.187 0.05 . 1 . . . . 9 CYS C . 15407 1
89 . 1 1 9 9 CYS CA C 13 55.759 0.05 . 1 . . . . 9 CYS CA . 15407 1
90 . 1 1 9 9 CYS CB C 13 32.451 0.05 . 1 . . . . 9 CYS CB . 15407 1
91 . 1 1 9 9 CYS N N 15 114.818 0.05 . 1 . . . . 9 CYS N . 15407 1
92 . 1 1 10 10 ARG H H 1 9.127 0.015 . 1 . . . . 10 ARG HN . 15407 1
93 . 1 1 10 10 ARG HA H 1 5.412 0.015 . 1 . . . . 10 ARG HA . 15407 1
94 . 1 1 10 10 ARG HB2 H 1 1.648 0.015 . 2 . . . . 10 ARG HB1 . 15407 1
95 . 1 1 10 10 ARG HB3 H 1 1.482 0.015 . 2 . . . . 10 ARG HB2 . 15407 1
96 . 1 1 10 10 ARG HD2 H 1 3.105 0.015 . 2 . . . . 10 ARG HD1 . 15407 1
97 . 1 1 10 10 ARG HD3 H 1 3.105 0.015 . 2 . . . . 10 ARG HD2 . 15407 1
98 . 1 1 10 10 ARG HG2 H 1 1.289 0.015 . 2 . . . . 10 ARG HG1 . 15407 1
99 . 1 1 10 10 ARG HG3 H 1 1.289 0.015 . 2 . . . . 10 ARG HG2 . 15407 1
100 . 1 1 10 10 ARG C C 13 176.421 0.05 . 1 . . . . 10 ARG C . 15407 1
101 . 1 1 10 10 ARG CA C 13 53.632 0.05 . 1 . . . . 10 ARG CA . 15407 1
102 . 1 1 10 10 ARG CB C 13 33.112 0.05 . 1 . . . . 10 ARG CB . 15407 1
103 . 1 1 10 10 ARG CD C 13 43.018 0.05 . 1 . . . . 10 ARG CD . 15407 1
104 . 1 1 10 10 ARG CG C 13 27.696 0.05 . 1 . . . . 10 ARG CG . 15407 1
105 . 1 1 10 10 ARG N N 15 122.912 0.05 . 1 . . . . 10 ARG N . 15407 1
106 . 1 1 11 11 THR H H 1 9.085 0.015 . 1 . . . . 11 THR HN . 15407 1
107 . 1 1 11 11 THR HA H 1 4.413 0.015 . 1 . . . . 11 THR HA . 15407 1
108 . 1 1 11 11 THR HB H 1 4.413 0.015 . 1 . . . . 11 THR HB . 15407 1
109 . 1 1 11 11 THR HG21 H 1 0.010 0.015 . 1 . . . . 11 THR HG21 . 15407 1
110 . 1 1 11 11 THR HG22 H 1 0.010 0.015 . 1 . . . . 11 THR HG21 . 15407 1
111 . 1 1 11 11 THR HG23 H 1 0.010 0.015 . 1 . . . . 11 THR HG21 . 15407 1
112 . 1 1 11 11 THR C C 13 176.330 0.05 . 1 . . . . 11 THR C . 15407 1
113 . 1 1 11 11 THR CA C 13 61.260 0.05 . 1 . . . . 11 THR CA . 15407 1
114 . 1 1 11 11 THR CB C 13 69.675 0.05 . 1 . . . . 11 THR CB . 15407 1
115 . 1 1 11 11 THR CG2 C 13 22.848 0.05 . 1 . . . . 11 THR CG2 . 15407 1
116 . 1 1 11 11 THR N N 15 117.420 0.05 . 1 . . . . 11 THR N . 15407 1
117 . 1 1 12 12 LEU H H 1 9.203 0.015 . 1 . . . . 12 LEU HN . 15407 1
118 . 1 1 12 12 LEU HA H 1 4.111 0.015 . 1 . . . . 12 LEU HA . 15407 1
119 . 1 1 12 12 LEU HB2 H 1 0.971 0.015 . 2 . . . . 12 LEU HB1 . 15407 1
120 . 1 1 12 12 LEU HB3 H 1 0.730 0.015 . 2 . . . . 12 LEU HB2 . 15407 1
121 . 1 1 12 12 LEU HD11 H 1 0.669 0.015 . 2 . . . . 12 LEU HD11 . 15407 1
122 . 1 1 12 12 LEU HD12 H 1 0.669 0.015 . 2 . . . . 12 LEU HD11 . 15407 1
123 . 1 1 12 12 LEU HD13 H 1 0.669 0.015 . 2 . . . . 12 LEU HD11 . 15407 1
124 . 1 1 12 12 LEU HD21 H 1 0.669 0.015 . 2 . . . . 12 LEU HD21 . 15407 1
125 . 1 1 12 12 LEU HD22 H 1 0.669 0.015 . 2 . . . . 12 LEU HD21 . 15407 1
126 . 1 1 12 12 LEU HD23 H 1 0.669 0.015 . 2 . . . . 12 LEU HD21 . 15407 1
127 . 1 1 12 12 LEU HG H 1 1.276 0.015 . 1 . . . . 12 LEU HG . 15407 1
128 . 1 1 12 12 LEU C C 13 175.271 0.05 . 1 . . . . 12 LEU C . 15407 1
129 . 1 1 12 12 LEU CA C 13 55.469 0.05 . 1 . . . . 12 LEU CA . 15407 1
130 . 1 1 12 12 LEU CB C 13 44.816 0.05 . 1 . . . . 12 LEU CB . 15407 1
131 . 1 1 12 12 LEU CD1 C 13 25.402 0.05 . 1 . . . . 12 LEU CD1 . 15407 1
132 . 1 1 12 12 LEU CD2 C 13 22.218 0.05 . 1 . . . . 12 LEU CD2 . 15407 1
133 . 1 1 12 12 LEU CG C 13 26.912 0.05 . 1 . . . . 12 LEU CG . 15407 1
134 . 1 1 12 12 LEU N N 15 125.514 0.05 . 1 . . . . 12 LEU N . 15407 1
135 . 1 1 13 13 PHE H H 1 7.476 0.015 . 1 . . . . 13 PHE HN . 15407 1
136 . 1 1 13 13 PHE HA H 1 5.019 0.015 . 1 . . . . 13 PHE HA . 15407 1
137 . 1 1 13 13 PHE HB2 H 1 3.326 0.015 . 2 . . . . 13 PHE HB1 . 15407 1
138 . 1 1 13 13 PHE HB3 H 1 2.455 0.015 . 2 . . . . 13 PHE HB2 . 15407 1
139 . 1 1 13 13 PHE HD1 H 1 6.909 0.015 . 1 . . . . 13 PHE HD1 . 15407 1
140 . 1 1 13 13 PHE HD2 H 1 6.909 0.015 . 1 . . . . 13 PHE HD2 . 15407 1
141 . 1 1 13 13 PHE HE1 H 1 7.225 0.015 . 1 . . . . 13 PHE HE1 . 15407 1
142 . 1 1 13 13 PHE HE2 H 1 7.225 0.015 . 1 . . . . 13 PHE HE2 . 15407 1
143 . 1 1 13 13 PHE CA C 13 53.627 0.05 . 1 . . . . 13 PHE CA . 15407 1
144 . 1 1 13 13 PHE CB C 13 42.101 0.05 . 1 . . . . 13 PHE CB . 15407 1
145 . 1 1 13 13 PHE CD1 C 13 132.682 0.05 . 3 . . . . 13 PHE CD1 . 15407 1
146 . 1 1 13 13 PHE CD2 C 13 132.682 0.05 . 3 . . . . 13 PHE CD2 . 15407 1
147 . 1 1 13 13 PHE CE1 C 13 131.041 0.05 . 3 . . . . 13 PHE CE1 . 15407 1
148 . 1 1 13 13 PHE CE2 C 13 131.041 0.05 . 3 . . . . 13 PHE CE2 . 15407 1
149 . 1 1 13 13 PHE N N 15 114.674 0.05 . 1 . . . . 13 PHE N . 15407 1
150 . 1 1 14 14 PRO HA H 1 4.686 0.015 . 1 . . . . 14 PRO HA . 15407 1
151 . 1 1 14 14 PRO HB2 H 1 2.390 0.015 . 2 . . . . 14 PRO HB1 . 15407 1
152 . 1 1 14 14 PRO HB3 H 1 2.087 0.015 . 2 . . . . 14 PRO HB2 . 15407 1
153 . 1 1 14 14 PRO HD2 H 1 3.837 0.015 . 2 . . . . 14 PRO HD1 . 15407 1
154 . 1 1 14 14 PRO HD3 H 1 3.837 0.015 . 2 . . . . 14 PRO HD2 . 15407 1
155 . 1 1 14 14 PRO HG2 H 1 2.188 0.015 . 2 . . . . 14 PRO HG1 . 15407 1
156 . 1 1 14 14 PRO HG3 H 1 2.188 0.015 . 2 . . . . 14 PRO HG2 . 15407 1
157 . 1 1 14 14 PRO C C 13 175.198 0.05 . 1 . . . . 14 PRO C . 15407 1
158 . 1 1 14 14 PRO CA C 13 62.455 0.05 . 1 . . . . 14 PRO CA . 15407 1
159 . 1 1 14 14 PRO CB C 13 32.507 0.05 . 1 . . . . 14 PRO CB . 15407 1
160 . 1 1 14 14 PRO CD C 13 49.756 0.05 . 1 . . . . 14 PRO CD . 15407 1
161 . 1 1 14 14 PRO CG C 13 27.341 0.05 . 1 . . . . 14 PRO CG . 15407 1
162 . 1 1 15 15 TYR H H 1 8.055 0.015 . 1 . . . . 15 TYR HN . 15407 1
163 . 1 1 15 15 TYR HA H 1 4.387 0.015 . 1 . . . . 15 TYR HA . 15407 1
164 . 1 1 15 15 TYR HB2 H 1 2.387 0.015 . 2 . . . . 15 TYR HB1 . 15407 1
165 . 1 1 15 15 TYR HB3 H 1 1.086 0.015 . 2 . . . . 15 TYR HB2 . 15407 1
166 . 1 1 15 15 TYR HD1 H 1 6.607 0.015 . 1 . . . . 15 TYR HD1 . 15407 1
167 . 1 1 15 15 TYR HD2 H 1 6.607 0.015 . 1 . . . . 15 TYR HD2 . 15407 1
168 . 1 1 15 15 TYR HE1 H 1 6.702 0.015 . 1 . . . . 15 TYR HE1 . 15407 1
169 . 1 1 15 15 TYR HE2 H 1 6.702 0.015 . 1 . . . . 15 TYR HE2 . 15407 1
170 . 1 1 15 15 TYR C C 13 173.553 0.05 . 1 . . . . 15 TYR C . 15407 1
171 . 1 1 15 15 TYR CA C 13 58.119 0.05 . 1 . . . . 15 TYR CA . 15407 1
172 . 1 1 15 15 TYR CB C 13 42.601 0.05 . 1 . . . . 15 TYR CB . 15407 1
173 . 1 1 15 15 TYR CD1 C 13 133.354 0.05 . 3 . . . . 15 TYR CD1 . 15407 1
174 . 1 1 15 15 TYR CD2 C 13 133.354 0.05 . 3 . . . . 15 TYR CD2 . 15407 1
175 . 1 1 15 15 TYR CE1 C 13 117.540 0.05 . 3 . . . . 15 TYR CE1 . 15407 1
176 . 1 1 15 15 TYR CE2 C 13 117.540 0.05 . 3 . . . . 15 TYR CE2 . 15407 1
177 . 1 1 15 15 TYR N N 15 121.033 0.05 . 1 . . . . 15 TYR N . 15407 1
178 . 1 1 16 16 THR H H 1 7.622 0.015 . 1 . . . . 16 THR HN . 15407 1
179 . 1 1 16 16 THR HA H 1 4.193 0.015 . 1 . . . . 16 THR HA . 15407 1
180 . 1 1 16 16 THR HB H 1 3.694 0.015 . 1 . . . . 16 THR HB . 15407 1
181 . 1 1 16 16 THR HG21 H 1 1.041 0.015 . 1 . . . . 16 THR HG21 . 15407 1
182 . 1 1 16 16 THR HG22 H 1 1.041 0.015 . 1 . . . . 16 THR HG21 . 15407 1
183 . 1 1 16 16 THR HG23 H 1 1.041 0.015 . 1 . . . . 16 THR HG21 . 15407 1
184 . 1 1 16 16 THR C C 13 172.791 0.05 . 1 . . . . 16 THR C . 15407 1
185 . 1 1 16 16 THR CA C 13 60.752 0.05 . 1 . . . . 16 THR CA . 15407 1
186 . 1 1 16 16 THR CB C 13 69.649 0.05 . 1 . . . . 16 THR CB . 15407 1
187 . 1 1 16 16 THR CG2 C 13 21.356 0.05 . 1 . . . . 16 THR CG2 . 15407 1
188 . 1 1 16 16 THR N N 15 124.068 0.05 . 1 . . . . 16 THR N . 15407 1
189 . 1 1 17 17 GLY H H 1 8.088 0.015 . 1 . . . . 17 GLY HN . 15407 1
190 . 1 1 17 17 GLY HA2 H 1 3.981 0.015 . 2 . . . . 17 GLY HA1 . 15407 1
191 . 1 1 17 17 GLY HA3 H 1 3.531 0.015 . 2 . . . . 17 GLY HA2 . 15407 1
192 . 1 1 17 17 GLY C C 13 174.267 0.05 . 1 . . . . 17 GLY C . 15407 1
193 . 1 1 17 17 GLY CA C 13 45.958 0.05 . 1 . . . . 17 GLY CA . 15407 1
194 . 1 1 17 17 GLY N N 15 115.396 0.05 . 1 . . . . 17 GLY N . 15407 1
195 . 1 1 18 18 THR H H 1 8.149 0.015 . 1 . . . . 18 THR HN . 15407 1
196 . 1 1 18 18 THR HA H 1 4.346 0.015 . 1 . . . . 18 THR HA . 15407 1
197 . 1 1 18 18 THR HB H 1 4.346 0.015 . 1 . . . . 18 THR HB . 15407 1
198 . 1 1 18 18 THR HG21 H 1 1.166 0.015 . 1 . . . . 18 THR HG21 . 15407 1
199 . 1 1 18 18 THR HG22 H 1 1.166 0.015 . 1 . . . . 18 THR HG21 . 15407 1
200 . 1 1 18 18 THR HG23 H 1 1.166 0.015 . 1 . . . . 18 THR HG21 . 15407 1
201 . 1 1 18 18 THR C C 13 174.114 0.05 . 1 . . . . 18 THR C . 15407 1
202 . 1 1 18 18 THR CA C 13 61.741 0.05 . 1 . . . . 18 THR CA . 15407 1
203 . 1 1 18 18 THR CB C 13 69.585 0.05 . 1 . . . . 18 THR CB . 15407 1
204 . 1 1 18 18 THR CG2 C 13 21.531 0.05 . 1 . . . . 18 THR CG2 . 15407 1
205 . 1 1 18 18 THR N N 15 111.349 0.05 . 1 . . . . 18 THR N . 15407 1
206 . 1 1 19 19 ASN H H 1 7.578 0.015 . 1 . . . . 19 ASN HN . 15407 1
207 . 1 1 19 19 ASN HA H 1 4.825 0.015 . 1 . . . . 19 ASN HA . 15407 1
208 . 1 1 19 19 ASN HB2 H 1 2.779 0.015 . 2 . . . . 19 ASN HB1 . 15407 1
209 . 1 1 19 19 ASN HB3 H 1 2.779 0.015 . 2 . . . . 19 ASN HB2 . 15407 1
210 . 1 1 19 19 ASN HD21 H 1 7.408 0.015 . 2 . . . . 19 ASN HD21 . 15407 1
211 . 1 1 19 19 ASN HD22 H 1 6.691 0.015 . 2 . . . . 19 ASN HD22 . 15407 1
212 . 1 1 19 19 ASN C C 13 175.910 0.05 . 1 . . . . 19 ASN C . 15407 1
213 . 1 1 19 19 ASN CA C 13 52.196 0.05 . 1 . . . . 19 ASN CA . 15407 1
214 . 1 1 19 19 ASN CB C 13 40.720 0.05 . 1 . . . . 19 ASN CB . 15407 1
215 . 1 1 19 19 ASN N N 15 117.131 0.05 . 1 . . . . 19 ASN N . 15407 1
216 . 1 1 19 19 ASN ND2 N 15 113.510 0.05 . 1 . . . . 19 ASN ND2 . 15407 1
217 . 1 1 20 20 GLU H H 1 8.769 0.015 . 1 . . . . 20 GLU HN . 15407 1
218 . 1 1 20 20 GLU HA H 1 4.279 0.015 . 1 . . . . 20 GLU HA . 15407 1
219 . 1 1 20 20 GLU HB2 H 1 2.173 0.015 . 2 . . . . 20 GLU HB1 . 15407 1
220 . 1 1 20 20 GLU HB3 H 1 2.173 0.015 . 2 . . . . 20 GLU HB2 . 15407 1
221 . 1 1 20 20 GLU HG2 H 1 2.566 0.015 . 2 . . . . 20 GLU HG1 . 15407 1
222 . 1 1 20 20 GLU HG3 H 1 2.566 0.015 . 2 . . . . 20 GLU HG2 . 15407 1
223 . 1 1 20 20 GLU C C 13 176.040 0.05 . 1 . . . . 20 GLU C . 15407 1
224 . 1 1 20 20 GLU CA C 13 57.931 0.05 . 1 . . . . 20 GLU CA . 15407 1
225 . 1 1 20 20 GLU CB C 13 27.911 0.05 . 1 . . . . 20 GLU CB . 15407 1
226 . 1 1 20 20 GLU CG C 13 32.666 0.05 . 1 . . . . 20 GLU CG . 15407 1
227 . 1 1 20 20 GLU N N 15 119.154 0.05 . 1 . . . . 20 GLU N . 15407 1
228 . 1 1 21 21 ASP H H 1 8.709 0.015 . 1 . . . . 21 ASP HN . 15407 1
229 . 1 1 21 21 ASP HA H 1 4.930 0.015 . 1 . . . . 21 ASP HA . 15407 1
230 . 1 1 21 21 ASP HB2 H 1 3.071 0.015 . 2 . . . . 21 ASP HB1 . 15407 1
231 . 1 1 21 21 ASP HB3 H 1 3.071 0.015 . 2 . . . . 21 ASP HB2 . 15407 1
232 . 1 1 21 21 ASP C C 13 175.032 0.05 . 1 . . . . 21 ASP C . 15407 1
233 . 1 1 21 21 ASP CA C 13 53.266 0.05 . 1 . . . . 21 ASP CA . 15407 1
234 . 1 1 21 21 ASP CB C 13 38.252 0.05 . 1 . . . . 21 ASP CB . 15407 1
235 . 1 1 21 21 ASP N N 15 116.553 0.05 . 1 . . . . 21 ASP N . 15407 1
236 . 1 1 22 22 GLU H H 1 7.681 0.015 . 1 . . . . 22 GLU HN . 15407 1
237 . 1 1 22 22 GLU HA H 1 5.300 0.015 . 1 . . . . 22 GLU HA . 15407 1
238 . 1 1 22 22 GLU HB2 H 1 2.597 0.015 . 2 . . . . 22 GLU HB1 . 15407 1
239 . 1 1 22 22 GLU HB3 H 1 2.275 0.015 . 2 . . . . 22 GLU HB2 . 15407 1
240 . 1 1 22 22 GLU HG2 H 1 2.597 0.015 . 2 . . . . 22 GLU HG1 . 15407 1
241 . 1 1 22 22 GLU HG3 H 1 2.597 0.015 . 2 . . . . 22 GLU HG2 . 15407 1
242 . 1 1 22 22 GLU C C 13 176.399 0.05 . 1 . . . . 22 GLU C . 15407 1
243 . 1 1 22 22 GLU CA C 13 54.386 0.05 . 1 . . . . 22 GLU CA . 15407 1
244 . 1 1 22 22 GLU CB C 13 31.140 0.05 . 1 . . . . 22 GLU CB . 15407 1
245 . 1 1 22 22 GLU CG C 13 33.373 0.05 . 1 . . . . 22 GLU CG . 15407 1
246 . 1 1 22 22 GLU N N 15 119.010 0.05 . 1 . . . . 22 GLU N . 15407 1
247 . 1 1 23 23 LEU H H 1 8.450 0.015 . 1 . . . . 23 LEU HN . 15407 1
248 . 1 1 23 23 LEU HA H 1 4.547 0.015 . 1 . . . . 23 LEU HA . 15407 1
249 . 1 1 23 23 LEU HB2 H 1 1.692 0.015 . 2 . . . . 23 LEU HB1 . 15407 1
250 . 1 1 23 23 LEU HB3 H 1 1.573 0.015 . 2 . . . . 23 LEU HB2 . 15407 1
251 . 1 1 23 23 LEU HD11 H 1 0.900 0.015 . 2 . . . . 23 LEU HD11 . 15407 1
252 . 1 1 23 23 LEU HD12 H 1 0.900 0.015 . 2 . . . . 23 LEU HD11 . 15407 1
253 . 1 1 23 23 LEU HD13 H 1 0.900 0.015 . 2 . . . . 23 LEU HD11 . 15407 1
254 . 1 1 23 23 LEU HD21 H 1 0.900 0.015 . 2 . . . . 23 LEU HD21 . 15407 1
255 . 1 1 23 23 LEU HD22 H 1 0.900 0.015 . 2 . . . . 23 LEU HD21 . 15407 1
256 . 1 1 23 23 LEU HD23 H 1 0.900 0.015 . 2 . . . . 23 LEU HD21 . 15407 1
257 . 1 1 23 23 LEU HG H 1 0.876 0.015 . 1 . . . . 23 LEU HG . 15407 1
258 . 1 1 23 23 LEU C C 13 173.579 0.05 . 1 . . . . 23 LEU C . 15407 1
259 . 1 1 23 23 LEU CA C 13 54.375 0.05 . 1 . . . . 23 LEU CA . 15407 1
260 . 1 1 23 23 LEU CB C 13 44.902 0.05 . 1 . . . . 23 LEU CB . 15407 1
261 . 1 1 23 23 LEU CD1 C 13 23.268 0.05 . 1 . . . . 23 LEU CD1 . 15407 1
262 . 1 1 23 23 LEU CD2 C 13 23.268 0.05 . 1 . . . . 23 LEU CD2 . 15407 1
263 . 1 1 23 23 LEU CG C 13 25.375 0.05 . 1 . . . . 23 LEU CG . 15407 1
264 . 1 1 23 23 LEU N N 15 122.623 0.05 . 1 . . . . 23 LEU N . 15407 1
265 . 1 1 24 24 THR H H 1 7.584 0.015 . 1 . . . . 24 THR HN . 15407 1
266 . 1 1 24 24 THR HA H 1 4.639 0.015 . 1 . . . . 24 THR HA . 15407 1
267 . 1 1 24 24 THR HB H 1 3.952 0.015 . 1 . . . . 24 THR HB . 15407 1
268 . 1 1 24 24 THR HG21 H 1 1.324 0.015 . 1 . . . . 24 THR HG21 . 15407 1
269 . 1 1 24 24 THR HG22 H 1 1.324 0.015 . 1 . . . . 24 THR HG21 . 15407 1
270 . 1 1 24 24 THR HG23 H 1 1.324 0.015 . 1 . . . . 24 THR HG21 . 15407 1
271 . 1 1 24 24 THR C C 13 174.112 0.05 . 1 . . . . 24 THR C . 15407 1
272 . 1 1 24 24 THR CA C 13 61.804 0.05 . 1 . . . . 24 THR CA . 15407 1
273 . 1 1 24 24 THR CB C 13 72.148 0.05 . 1 . . . . 24 THR CB . 15407 1
274 . 1 1 24 24 THR CG2 C 13 21.725 0.05 . 1 . . . . 24 THR CG2 . 15407 1
275 . 1 1 24 24 THR N N 15 114.818 0.05 . 1 . . . . 24 THR N . 15407 1
276 . 1 1 25 25 PHE H H 1 8.839 0.015 . 1 . . . . 25 PHE HN . 15407 1
277 . 1 1 25 25 PHE HA H 1 5.018 0.015 . 1 . . . . 25 PHE HA . 15407 1
278 . 1 1 25 25 PHE HB2 H 1 3.254 0.015 . 2 . . . . 25 PHE HB1 . 15407 1
279 . 1 1 25 25 PHE HB3 H 1 3.127 0.015 . 2 . . . . 25 PHE HB2 . 15407 1
280 . 1 1 25 25 PHE HD1 H 1 6.775 0.015 . 1 . . . . 25 PHE HD1 . 15407 1
281 . 1 1 25 25 PHE HD2 H 1 6.775 0.015 . 1 . . . . 25 PHE HD2 . 15407 1
282 . 1 1 25 25 PHE C C 13 175.829 0.05 . 1 . . . . 25 PHE C . 15407 1
283 . 1 1 25 25 PHE CA C 13 55.411 0.05 . 1 . . . . 25 PHE CA . 15407 1
284 . 1 1 25 25 PHE CB C 13 40.288 0.05 . 1 . . . . 25 PHE CB . 15407 1
285 . 1 1 25 25 PHE N N 15 119.299 0.05 . 1 . . . . 25 PHE N . 15407 1
286 . 1 1 26 26 ARG H H 1 8.309 0.015 . 1 . . . . 26 ARG HN . 15407 1
287 . 1 1 26 26 ARG HA H 1 4.659 0.015 . 1 . . . . 26 ARG HA . 15407 1
288 . 1 1 26 26 ARG HB2 H 1 2.108 0.015 . 2 . . . . 26 ARG HB1 . 15407 1
289 . 1 1 26 26 ARG HB3 H 1 1.714 0.015 . 2 . . . . 26 ARG HB2 . 15407 1
290 . 1 1 26 26 ARG HD2 H 1 3.232 0.015 . 2 . . . . 26 ARG HD1 . 15407 1
291 . 1 1 26 26 ARG HD3 H 1 3.232 0.015 . 2 . . . . 26 ARG HD2 . 15407 1
292 . 1 1 26 26 ARG HE H 1 7.209 0.015 . 1 . . . . 26 ARG HE . 15407 1
293 . 1 1 26 26 ARG HG2 H 1 1.704 0.015 . 2 . . . . 26 ARG HG1 . 15407 1
294 . 1 1 26 26 ARG HG3 H 1 1.704 0.015 . 2 . . . . 26 ARG HG2 . 15407 1
295 . 1 1 26 26 ARG C C 13 176.707 0.05 . 1 . . . . 26 ARG C . 15407 1
296 . 1 1 26 26 ARG CA C 13 54.301 0.05 . 1 . . . . 26 ARG CA . 15407 1
297 . 1 1 26 26 ARG CB C 13 31.906 0.05 . 1 . . . . 26 ARG CB . 15407 1
298 . 1 1 26 26 ARG CD C 13 43.104 0.05 . 1 . . . . 26 ARG CD . 15407 1
299 . 1 1 26 26 ARG CG C 13 27.411 0.05 . 1 . . . . 26 ARG CG . 15407 1
300 . 1 1 26 26 ARG N N 15 119.003 0.05 . 1 . . . . 26 ARG N . 15407 1
301 . 1 1 26 26 ARG NE N 15 84.177 0.05 . 1 . . . . 26 ARG NE . 15407 1
302 . 1 1 27 27 GLU H H 1 8.776 0.015 . 1 . . . . 27 GLU HN . 15407 1
303 . 1 1 27 27 GLU HA H 1 3.622 0.015 . 1 . . . . 27 GLU HA . 15407 1
304 . 1 1 27 27 GLU HB2 H 1 1.922 0.015 . 2 . . . . 27 GLU HB1 . 15407 1
305 . 1 1 27 27 GLU HB3 H 1 1.717 0.015 . 2 . . . . 27 GLU HB2 . 15407 1
306 . 1 1 27 27 GLU HG2 H 1 2.372 0.015 . 2 . . . . 27 GLU HG1 . 15407 1
307 . 1 1 27 27 GLU HG3 H 1 2.372 0.015 . 2 . . . . 27 GLU HG2 . 15407 1
308 . 1 1 27 27 GLU C C 13 175.159 0.05 . 1 . . . . 27 GLU C . 15407 1
309 . 1 1 27 27 GLU CA C 13 57.651 0.05 . 1 . . . . 27 GLU CA . 15407 1
310 . 1 1 27 27 GLU CB C 13 28.174 0.05 . 1 . . . . 27 GLU CB . 15407 1
311 . 1 1 27 27 GLU CG C 13 32.728 0.05 . 1 . . . . 27 GLU CG . 15407 1
312 . 1 1 27 27 GLU N N 15 121.033 0.05 . 1 . . . . 27 GLU N . 15407 1
313 . 1 1 28 28 GLY H H 1 8.312 0.015 . 1 . . . . 28 GLY HN . 15407 1
314 . 1 1 28 28 GLY HA2 H 1 3.513 0.015 . 2 . . . . 28 GLY HA1 . 15407 1
315 . 1 1 28 28 GLY HA3 H 1 4.017 0.015 . 2 . . . . 28 GLY HA2 . 15407 1
316 . 1 1 28 28 GLY C C 13 174.416 0.05 . 1 . . . . 28 GLY C . 15407 1
317 . 1 1 28 28 GLY CA C 13 45.953 0.05 . 1 . . . . 28 GLY CA . 15407 1
318 . 1 1 28 28 GLY N N 15 113.807 0.05 . 1 . . . . 28 GLY N . 15407 1
319 . 1 1 29 29 GLU H H 1 8.039 0.015 . 1 . . . . 29 GLU HN . 15407 1
320 . 1 1 29 29 GLU HA H 1 4.547 0.015 . 1 . . . . 29 GLU HA . 15407 1
321 . 1 1 29 29 GLU HB2 H 1 2.022 0.015 . 2 . . . . 29 GLU HB1 . 15407 1
322 . 1 1 29 29 GLU HB3 H 1 1.743 0.015 . 2 . . . . 29 GLU HB2 . 15407 1
323 . 1 1 29 29 GLU HG2 H 1 2.302 0.015 . 2 . . . . 29 GLU HG1 . 15407 1
324 . 1 1 29 29 GLU HG3 H 1 2.302 0.015 . 2 . . . . 29 GLU HG2 . 15407 1
325 . 1 1 29 29 GLU C C 13 178.009 0.05 . 1 . . . . 29 GLU C . 15407 1
326 . 1 1 29 29 GLU CA C 13 55.509 0.05 . 1 . . . . 29 GLU CA . 15407 1
327 . 1 1 29 29 GLU CB C 13 30.777 0.05 . 1 . . . . 29 GLU CB . 15407 1
328 . 1 1 29 29 GLU CG C 13 34.915 0.05 . 1 . . . . 29 GLU CG . 15407 1
329 . 1 1 29 29 GLU N N 15 118.721 0.05 . 1 . . . . 29 GLU N . 15407 1
330 . 1 1 30 30 ILE H H 1 8.403 0.015 . 1 . . . . 30 ILE HN . 15407 1
331 . 1 1 30 30 ILE HA H 1 4.890 0.015 . 1 . . . . 30 ILE HA . 15407 1
332 . 1 1 30 30 ILE HB H 1 1.864 0.015 . 1 . . . . 30 ILE HB . 15407 1
333 . 1 1 30 30 ILE HD11 H 1 0.663 0.015 . 1 . . . . 30 ILE HD11 . 15407 1
334 . 1 1 30 30 ILE HD12 H 1 0.663 0.015 . 1 . . . . 30 ILE HD11 . 15407 1
335 . 1 1 30 30 ILE HD13 H 1 0.663 0.015 . 1 . . . . 30 ILE HD11 . 15407 1
336 . 1 1 30 30 ILE HG12 H 1 1.190 0.015 . 1 . . . . 30 ILE HG11 . 15407 1
337 . 1 1 30 30 ILE HG13 H 1 1.428 0.015 . 1 . . . . 30 ILE HG12 . 15407 1
338 . 1 1 30 30 ILE HG21 H 1 0.775 0.015 . 1 . . . . 30 ILE HG21 . 15407 1
339 . 1 1 30 30 ILE HG22 H 1 0.775 0.015 . 1 . . . . 30 ILE HG21 . 15407 1
340 . 1 1 30 30 ILE HG23 H 1 0.775 0.015 . 1 . . . . 30 ILE HG21 . 15407 1
341 . 1 1 30 30 ILE C C 13 175.584 0.05 . 1 . . . . 30 ILE C . 15407 1
342 . 1 1 30 30 ILE CA C 13 59.167 0.05 . 1 . . . . 30 ILE CA . 15407 1
343 . 1 1 30 30 ILE CB C 13 37.270 0.05 . 1 . . . . 30 ILE CB . 15407 1
344 . 1 1 30 30 ILE CD1 C 13 11.115 0.05 . 1 . . . . 30 ILE CD1 . 15407 1
345 . 1 1 30 30 ILE CG1 C 13 26.996 0.05 . 1 . . . . 30 ILE CG1 . 15407 1
346 . 1 1 30 30 ILE CG2 C 13 17.946 0.05 . 1 . . . . 30 ILE CG2 . 15407 1
347 . 1 1 30 30 ILE N N 15 120.889 0.05 . 1 . . . . 30 ILE N . 15407 1
348 . 1 1 31 31 ILE H H 1 9.036 0.015 . 1 . . . . 31 ILE HN . 15407 1
349 . 1 1 31 31 ILE HA H 1 4.260 0.015 . 1 . . . . 31 ILE HA . 15407 1
350 . 1 1 31 31 ILE HB H 1 1.514 0.015 . 1 . . . . 31 ILE HB . 15407 1
351 . 1 1 31 31 ILE HD11 H 1 -0.473 0.015 . 1 . . . . 31 ILE HD11 . 15407 1
352 . 1 1 31 31 ILE HD12 H 1 -0.473 0.015 . 1 . . . . 31 ILE HD11 . 15407 1
353 . 1 1 31 31 ILE HD13 H 1 -0.473 0.015 . 1 . . . . 31 ILE HD11 . 15407 1
354 . 1 1 31 31 ILE HG12 H 1 0.990 0.015 . 1 . . . . 31 ILE HG11 . 15407 1
355 . 1 1 31 31 ILE HG13 H 1 0.546 0.015 . 1 . . . . 31 ILE HG12 . 15407 1
356 . 1 1 31 31 ILE HG21 H 1 0.546 0.015 . 1 . . . . 31 ILE HG21 . 15407 1
357 . 1 1 31 31 ILE HG22 H 1 0.546 0.015 . 1 . . . . 31 ILE HG21 . 15407 1
358 . 1 1 31 31 ILE HG23 H 1 0.546 0.015 . 1 . . . . 31 ILE HG21 . 15407 1
359 . 1 1 31 31 ILE C C 13 176.042 0.05 . 1 . . . . 31 ILE C . 15407 1
360 . 1 1 31 31 ILE CA C 13 59.920 0.05 . 1 . . . . 31 ILE CA . 15407 1
361 . 1 1 31 31 ILE CB C 13 41.399 0.05 . 1 . . . . 31 ILE CB . 15407 1
362 . 1 1 31 31 ILE CD1 C 13 13.614 0.05 . 1 . . . . 31 ILE CD1 . 15407 1
363 . 1 1 31 31 ILE CG1 C 13 28.238 0.05 . 1 . . . . 31 ILE CG1 . 15407 1
364 . 1 1 31 31 ILE CG2 C 13 17.267 0.05 . 1 . . . . 31 ILE CG2 . 15407 1
365 . 1 1 31 31 ILE N N 15 126.814 0.05 . 1 . . . . 31 ILE N . 15407 1
366 . 1 1 32 32 HIS H H 1 8.629 0.015 . 1 . . . . 32 HIS HN . 15407 1
367 . 1 1 32 32 HIS HA H 1 4.820 0.015 . 1 . . . . 32 HIS HA . 15407 1
368 . 1 1 32 32 HIS HB2 H 1 3.398 0.015 . 2 . . . . 32 HIS HB1 . 15407 1
369 . 1 1 32 32 HIS HB3 H 1 3.398 0.015 . 2 . . . . 32 HIS HB2 . 15407 1
370 . 1 1 32 32 HIS HD2 H 1 7.748 0.015 . 1 . . . . 32 HIS HD2 . 15407 1
371 . 1 1 32 32 HIS HE1 H 1 8.746 0.015 . 1 . . . . 32 HIS HE1 . 15407 1
372 . 1 1 32 32 HIS C C 13 173.344 0.05 . 1 . . . . 32 HIS C . 15407 1
373 . 1 1 32 32 HIS CA C 13 53.746 0.05 . 1 . . . . 32 HIS CA . 15407 1
374 . 1 1 32 32 HIS CB C 13 28.892 0.05 . 1 . . . . 32 HIS CB . 15407 1
375 . 1 1 32 32 HIS CD2 C 13 119.100 0.05 . 1 . . . . 32 HIS CD2 . 15407 1
376 . 1 1 32 32 HIS CE1 C 13 136.585 0.05 . 1 . . . . 32 HIS CE1 . 15407 1
377 . 1 1 32 32 HIS N N 15 125.225 0.05 . 1 . . . . 32 HIS N . 15407 1
378 . 1 1 33 33 LEU H H 1 8.738 0.015 . 1 . . . . 33 LEU HN . 15407 1
379 . 1 1 33 33 LEU HA H 1 4.157 0.015 . 1 . . . . 33 LEU HA . 15407 1
380 . 1 1 33 33 LEU HB2 H 1 1.432 0.015 . 2 . . . . 33 LEU HB1 . 15407 1
381 . 1 1 33 33 LEU HB3 H 1 1.197 0.015 . 2 . . . . 33 LEU HB2 . 15407 1
382 . 1 1 33 33 LEU HD11 H 1 0.552 0.015 . 2 . . . . 33 LEU HD11 . 15407 1
383 . 1 1 33 33 LEU HD12 H 1 0.552 0.015 . 2 . . . . 33 LEU HD11 . 15407 1
384 . 1 1 33 33 LEU HD13 H 1 0.552 0.015 . 2 . . . . 33 LEU HD11 . 15407 1
385 . 1 1 33 33 LEU HD21 H 1 0.552 0.015 . 2 . . . . 33 LEU HD21 . 15407 1
386 . 1 1 33 33 LEU HD22 H 1 0.552 0.015 . 2 . . . . 33 LEU HD21 . 15407 1
387 . 1 1 33 33 LEU HD23 H 1 0.552 0.015 . 2 . . . . 33 LEU HD21 . 15407 1
388 . 1 1 33 33 LEU HG H 1 0.384 0.015 . 1 . . . . 33 LEU HG . 15407 1
389 . 1 1 33 33 LEU C C 13 173.990 0.05 . 1 . . . . 33 LEU C . 15407 1
390 . 1 1 33 33 LEU CA C 13 55.896 0.05 . 1 . . . . 33 LEU CA . 15407 1
391 . 1 1 33 33 LEU CB C 13 42.951 0.05 . 1 . . . . 33 LEU CB . 15407 1
392 . 1 1 33 33 LEU CD1 C 13 24.041 0.05 . 1 . . . . 33 LEU CD1 . 15407 1
393 . 1 1 33 33 LEU CD2 C 13 24.041 0.05 . 1 . . . . 33 LEU CD2 . 15407 1
394 . 1 1 33 33 LEU CG C 13 25.292 0.05 . 1 . . . . 33 LEU CG . 15407 1
395 . 1 1 33 33 LEU N N 15 132.885 0.05 . 1 . . . . 33 LEU N . 15407 1
396 . 1 1 34 34 ILE H H 1 8.821 0.015 . 1 . . . . 34 ILE HN . 15407 1
397 . 1 1 34 34 ILE HA H 1 3.932 0.015 . 1 . . . . 34 ILE HA . 15407 1
398 . 1 1 34 34 ILE HB H 1 1.299 0.015 . 1 . . . . 34 ILE HB . 15407 1
399 . 1 1 34 34 ILE HD11 H 1 0.553 0.015 . 1 . . . . 34 ILE HD11 . 15407 1
400 . 1 1 34 34 ILE HD12 H 1 0.553 0.015 . 1 . . . . 34 ILE HD11 . 15407 1
401 . 1 1 34 34 ILE HD13 H 1 0.553 0.015 . 1 . . . . 34 ILE HD11 . 15407 1
402 . 1 1 34 34 ILE HG12 H 1 1.202 0.015 . 1 . . . . 34 ILE HG11 . 15407 1
403 . 1 1 34 34 ILE HG13 H 1 1.056 0.015 . 1 . . . . 34 ILE HG12 . 15407 1
404 . 1 1 34 34 ILE HG21 H 1 0.767 0.015 . 1 . . . . 34 ILE HG21 . 15407 1
405 . 1 1 34 34 ILE HG22 H 1 0.767 0.015 . 1 . . . . 34 ILE HG21 . 15407 1
406 . 1 1 34 34 ILE HG23 H 1 0.767 0.015 . 1 . . . . 34 ILE HG21 . 15407 1
407 . 1 1 34 34 ILE C C 13 176.191 0.05 . 1 . . . . 34 ILE C . 15407 1
408 . 1 1 34 34 ILE CA C 13 61.337 0.05 . 1 . . . . 34 ILE CA . 15407 1
409 . 1 1 34 34 ILE CB C 13 38.741 0.05 . 1 . . . . 34 ILE CB . 15407 1
410 . 1 1 34 34 ILE CD1 C 13 11.363 0.05 . 1 . . . . 34 ILE CD1 . 15407 1
411 . 1 1 34 34 ILE CG1 C 13 27.188 0.05 . 1 . . . . 34 ILE CG1 . 15407 1
412 . 1 1 34 34 ILE CG2 C 13 16.812 0.05 . 1 . . . . 34 ILE CG2 . 15407 1
413 . 1 1 34 34 ILE N N 15 125.947 0.05 . 1 . . . . 34 ILE N . 15407 1
414 . 1 1 35 35 SER H H 1 7.640 0.015 . 1 . . . . 35 SER HN . 15407 1
415 . 1 1 35 35 SER HA H 1 4.417 0.015 . 1 . . . . 35 SER HA . 15407 1
416 . 1 1 35 35 SER HB2 H 1 3.932 0.015 . 2 . . . . 35 SER HB1 . 15407 1
417 . 1 1 35 35 SER HB3 H 1 3.307 0.015 . 2 . . . . 35 SER HB2 . 15407 1
418 . 1 1 35 35 SER C C 13 173.397 0.05 . 1 . . . . 35 SER C . 15407 1
419 . 1 1 35 35 SER CA C 13 57.610 0.05 . 1 . . . . 35 SER CA . 15407 1
420 . 1 1 35 35 SER CB C 13 65.098 0.05 . 1 . . . . 35 SER CB . 15407 1
421 . 1 1 35 35 SER N N 15 109.326 0.05 . 1 . . . . 35 SER N . 15407 1
422 . 1 1 36 36 LYS H H 1 8.742 0.015 . 1 . . . . 36 LYS HN . 15407 1
423 . 1 1 36 36 LYS HA H 1 4.237 0.015 . 1 . . . . 36 LYS HA . 15407 1
424 . 1 1 36 36 LYS HB2 H 1 1.812 0.015 . 2 . . . . 36 LYS HB1 . 15407 1
425 . 1 1 36 36 LYS HB3 H 1 1.812 0.015 . 2 . . . . 36 LYS HB2 . 15407 1
426 . 1 1 36 36 LYS HD2 H 1 1.202 0.015 . 2 . . . . 36 LYS HD1 . 15407 1
427 . 1 1 36 36 LYS HD3 H 1 1.202 0.015 . 2 . . . . 36 LYS HD2 . 15407 1
428 . 1 1 36 36 LYS HE2 H 1 2.402 0.015 . 2 . . . . 36 LYS HE1 . 15407 1
429 . 1 1 36 36 LYS HE3 H 1 2.043 0.015 . 2 . . . . 36 LYS HE2 . 15407 1
430 . 1 1 36 36 LYS HG2 H 1 0.753 0.015 . 2 . . . . 36 LYS HG1 . 15407 1
431 . 1 1 36 36 LYS HG3 H 1 -0.700 0.015 . 2 . . . . 36 LYS HG2 . 15407 1
432 . 1 1 36 36 LYS C C 13 175.204 0.05 . 1 . . . . 36 LYS C . 15407 1
433 . 1 1 36 36 LYS CA C 13 56.513 0.05 . 1 . . . . 36 LYS CA . 15407 1
434 . 1 1 36 36 LYS CB C 13 33.039 0.05 . 1 . . . . 36 LYS CB . 15407 1
435 . 1 1 36 36 LYS CD C 13 29.634 0.05 . 1 . . . . 36 LYS CD . 15407 1
436 . 1 1 36 36 LYS CE C 13 42.057 0.05 . 1 . . . . 36 LYS CE . 15407 1
437 . 1 1 36 36 LYS CG C 13 25.350 0.05 . 1 . . . . 36 LYS CG . 15407 1
438 . 1 1 36 36 LYS N N 15 124.936 0.05 . 1 . . . . 36 LYS N . 15407 1
439 . 1 1 37 37 GLU H H 1 8.414 0.015 . 1 . . . . 37 GLU HN . 15407 1
440 . 1 1 37 37 GLU HA H 1 4.877 0.015 . 1 . . . . 37 GLU HA . 15407 1
441 . 1 1 37 37 GLU HB2 H 1 2.064 0.015 . 2 . . . . 37 GLU HB1 . 15407 1
442 . 1 1 37 37 GLU HB3 H 1 1.917 0.015 . 2 . . . . 37 GLU HB2 . 15407 1
443 . 1 1 37 37 GLU HG2 H 1 2.403 0.015 . 2 . . . . 37 GLU HG1 . 15407 1
444 . 1 1 37 37 GLU HG3 H 1 2.403 0.015 . 2 . . . . 37 GLU HG2 . 15407 1
445 . 1 1 37 37 GLU C C 13 175.536 0.05 . 1 . . . . 37 GLU C . 15407 1
446 . 1 1 37 37 GLU CA C 13 54.617 0.05 . 1 . . . . 37 GLU CA . 15407 1
447 . 1 1 37 37 GLU CB C 13 28.498 0.05 . 1 . . . . 37 GLU CB . 15407 1
448 . 1 1 37 37 GLU CG C 13 32.539 0.05 . 1 . . . . 37 GLU CG . 15407 1
449 . 1 1 37 37 GLU N N 15 120.599 0.05 . 1 . . . . 37 GLU N . 15407 1
450 . 1 1 38 38 THR H H 1 8.813 0.015 . 1 . . . . 38 THR HN . 15407 1
451 . 1 1 38 38 THR HA H 1 4.431 0.015 . 1 . . . . 38 THR HA . 15407 1
452 . 1 1 38 38 THR HB H 1 4.431 0.015 . 1 . . . . 38 THR HB . 15407 1
453 . 1 1 38 38 THR HG21 H 1 1.109 0.015 . 1 . . . . 38 THR HG21 . 15407 1
454 . 1 1 38 38 THR HG22 H 1 1.109 0.015 . 1 . . . . 38 THR HG21 . 15407 1
455 . 1 1 38 38 THR HG23 H 1 1.109 0.015 . 1 . . . . 38 THR HG21 . 15407 1
456 . 1 1 38 38 THR C C 13 175.560 0.05 . 1 . . . . 38 THR C . 15407 1
457 . 1 1 38 38 THR CA C 13 61.129 0.05 . 1 . . . . 38 THR CA . 15407 1
458 . 1 1 38 38 THR CB C 13 71.073 0.05 . 1 . . . . 38 THR CB . 15407 1
459 . 1 1 38 38 THR CG2 C 13 22.178 0.05 . 1 . . . . 38 THR CG2 . 15407 1
460 . 1 1 38 38 THR N N 15 113.951 0.05 . 1 . . . . 38 THR N . 15407 1
461 . 1 1 39 39 GLY H H 1 8.647 0.015 . 1 . . . . 39 GLY HN . 15407 1
462 . 1 1 39 39 GLY HA2 H 1 4.256 0.015 . 2 . . . . 39 GLY HA1 . 15407 1
463 . 1 1 39 39 GLY HA3 H 1 3.683 0.015 . 2 . . . . 39 GLY HA2 . 15407 1
464 . 1 1 39 39 GLY C C 13 173.034 0.05 . 1 . . . . 39 GLY C . 15407 1
465 . 1 1 39 39 GLY CA C 13 45.137 0.05 . 1 . . . . 39 GLY CA . 15407 1
466 . 1 1 39 39 GLY N N 15 110.916 0.05 . 1 . . . . 39 GLY N . 15407 1
467 . 1 1 40 40 GLU H H 1 7.605 0.015 . 1 . . . . 40 GLU HN . 15407 1
468 . 1 1 40 40 GLU HA H 1 4.561 0.015 . 1 . . . . 40 GLU HA . 15407 1
469 . 1 1 40 40 GLU HB2 H 1 1.767 0.015 . 2 . . . . 40 GLU HB1 . 15407 1
470 . 1 1 40 40 GLU HB3 H 1 1.582 0.015 . 2 . . . . 40 GLU HB2 . 15407 1
471 . 1 1 40 40 GLU HG2 H 1 2.184 0.015 . 2 . . . . 40 GLU HG1 . 15407 1
472 . 1 1 40 40 GLU HG3 H 1 2.184 0.015 . 2 . . . . 40 GLU HG2 . 15407 1
473 . 1 1 40 40 GLU C C 13 174.928 0.05 . 1 . . . . 40 GLU C . 15407 1
474 . 1 1 40 40 GLU CA C 13 53.983 0.05 . 1 . . . . 40 GLU CA . 15407 1
475 . 1 1 40 40 GLU CB C 13 29.954 0.05 . 1 . . . . 40 GLU CB . 15407 1
476 . 1 1 40 40 GLU CG C 13 32.271 0.05 . 1 . . . . 40 GLU CG . 15407 1
477 . 1 1 40 40 GLU N N 15 119.879 0.05 . 1 . . . . 40 GLU N . 15407 1
478 . 1 1 41 41 ALA H H 1 8.827 0.015 . 1 . . . . 41 ALA HN . 15407 1
479 . 1 1 41 41 ALA HA H 1 4.289 0.015 . 1 . . . . 41 ALA HA . 15407 1
480 . 1 1 41 41 ALA HB1 H 1 1.438 0.015 . 1 . . . . 41 ALA HB1 . 15407 1
481 . 1 1 41 41 ALA HB2 H 1 1.438 0.015 . 1 . . . . 41 ALA HB1 . 15407 1
482 . 1 1 41 41 ALA HB3 H 1 1.438 0.015 . 1 . . . . 41 ALA HB1 . 15407 1
483 . 1 1 41 41 ALA C C 13 179.103 0.05 . 1 . . . . 41 ALA C . 15407 1
484 . 1 1 41 41 ALA CA C 13 54.008 0.05 . 1 . . . . 41 ALA CA . 15407 1
485 . 1 1 41 41 ALA CB C 13 18.042 0.05 . 1 . . . . 41 ALA CB . 15407 1
486 . 1 1 41 41 ALA N N 15 130.572 0.05 . 1 . . . . 41 ALA N . 15407 1
487 . 1 1 42 42 GLY H H 1 9.093 0.015 . 1 . . . . 42 GLY HN . 15407 1
488 . 1 1 42 42 GLY HA2 H 1 4.130 0.015 . 2 . . . . 42 GLY HA1 . 15407 1
489 . 1 1 42 42 GLY HA3 H 1 3.527 0.015 . 2 . . . . 42 GLY HA2 . 15407 1
490 . 1 1 42 42 GLY C C 13 173.983 0.05 . 1 . . . . 42 GLY C . 15407 1
491 . 1 1 42 42 GLY CA C 13 45.165 0.05 . 1 . . . . 42 GLY CA . 15407 1
492 . 1 1 42 42 GLY N N 15 109.615 0.05 . 1 . . . . 42 GLY N . 15407 1
493 . 1 1 43 43 TRP H H 1 7.763 0.015 . 1 . . . . 43 TRP HN . 15407 1
494 . 1 1 43 43 TRP HA H 1 4.742 0.015 . 1 . . . . 43 TRP HA . 15407 1
495 . 1 1 43 43 TRP HB2 H 1 2.974 0.015 . 2 . . . . 43 TRP HB1 . 15407 1
496 . 1 1 43 43 TRP HB3 H 1 2.790 0.015 . 2 . . . . 43 TRP HB2 . 15407 1
497 . 1 1 43 43 TRP HD1 H 1 7.069 0.015 . 1 . . . . 43 TRP HD1 . 15407 1
498 . 1 1 43 43 TRP HE1 H 1 10.041 0.015 . 1 . . . . 43 TRP HE1 . 15407 1
499 . 1 1 43 43 TRP HE3 H 1 7.132 0.015 . 1 . . . . 43 TRP HE3 . 15407 1
500 . 1 1 43 43 TRP HH2 H 1 7.236 0.015 . 1 . . . . 43 TRP HH2 . 15407 1
501 . 1 1 43 43 TRP HZ2 H 1 7.353 0.015 . 1 . . . . 43 TRP HZ2 . 15407 1
502 . 1 1 43 43 TRP HZ3 H 1 6.903 0.015 . 1 . . . . 43 TRP HZ3 . 15407 1
503 . 1 1 43 43 TRP C C 13 174.947 0.05 . 1 . . . . 43 TRP C . 15407 1
504 . 1 1 43 43 TRP CA C 13 56.846 0.05 . 1 . . . . 43 TRP CA . 15407 1
505 . 1 1 43 43 TRP CB C 13 30.289 0.05 . 1 . . . . 43 TRP CB . 15407 1
506 . 1 1 43 43 TRP CH2 C 13 123.656 0.05 . 1 . . . . 43 TRP CH2 . 15407 1
507 . 1 1 43 43 TRP CZ2 C 13 114.379 0.05 . 1 . . . . 43 TRP CZ2 . 15407 1
508 . 1 1 43 43 TRP CZ3 C 13 120.499 0.05 . 1 . . . . 43 TRP CZ3 . 15407 1
509 . 1 1 43 43 TRP N N 15 121.033 0.05 . 1 . . . . 43 TRP N . 15407 1
510 . 1 1 43 43 TRP NE1 N 15 130.280 0.05 . 1 . . . . 43 TRP NE1 . 15407 1
511 . 1 1 44 44 TRP H H 1 8.442 0.015 . 1 . . . . 44 TRP HN . 15407 1
512 . 1 1 44 44 TRP HA H 1 5.129 0.015 . 1 . . . . 44 TRP HA . 15407 1
513 . 1 1 44 44 TRP HB2 H 1 2.787 0.015 . 2 . . . . 44 TRP HB1 . 15407 1
514 . 1 1 44 44 TRP HB3 H 1 1.935 0.015 . 2 . . . . 44 TRP HB2 . 15407 1
515 . 1 1 44 44 TRP HD1 H 1 7.262 0.015 . 1 . . . . 44 TRP HD1 . 15407 1
516 . 1 1 44 44 TRP HE1 H 1 10.352 0.015 . 1 . . . . 44 TRP HE1 . 15407 1
517 . 1 1 44 44 TRP HE3 H 1 7.450 0.015 . 1 . . . . 44 TRP HE3 . 15407 1
518 . 1 1 44 44 TRP HH2 H 1 7.260 0.015 . 1 . . . . 44 TRP HH2 . 15407 1
519 . 1 1 44 44 TRP HZ2 H 1 7.511 0.015 . 1 . . . . 44 TRP HZ2 . 15407 1
520 . 1 1 44 44 TRP HZ3 H 1 6.768 0.015 . 1 . . . . 44 TRP HZ3 . 15407 1
521 . 1 1 44 44 TRP C C 13 173.600 0.05 . 1 . . . . 44 TRP C . 15407 1
522 . 1 1 44 44 TRP CA C 13 52.677 0.05 . 1 . . . . 44 TRP CA . 15407 1
523 . 1 1 44 44 TRP CB C 13 33.670 0.05 . 1 . . . . 44 TRP CB . 15407 1
524 . 1 1 44 44 TRP CD1 C 13 124.665 0.05 . 1 . . . . 44 TRP CD1 . 15407 1
525 . 1 1 44 44 TRP CE3 C 13 121.050 0.05 . 1 . . . . 44 TRP CE3 . 15407 1
526 . 1 1 44 44 TRP CZ2 C 13 114.365 0.05 . 1 . . . . 44 TRP CZ2 . 15407 1
527 . 1 1 44 44 TRP CZ3 C 13 120.967 0.05 . 1 . . . . 44 TRP CZ3 . 15407 1
528 . 1 1 44 44 TRP N N 15 123.635 0.05 . 1 . . . . 44 TRP N . 15407 1
529 . 1 1 44 44 TRP NE1 N 15 129.130 0.05 . 1 . . . . 44 TRP NE1 . 15407 1
530 . 1 1 45 45 LYS H H 1 8.802 0.015 . 1 . . . . 45 LYS HN . 15407 1
531 . 1 1 45 45 LYS HA H 1 5.232 0.015 . 1 . . . . 45 LYS HA . 15407 1
532 . 1 1 45 45 LYS HB2 H 1 1.726 0.015 . 2 . . . . 45 LYS HB1 . 15407 1
533 . 1 1 45 45 LYS HB3 H 1 1.582 0.015 . 2 . . . . 45 LYS HB2 . 15407 1
534 . 1 1 45 45 LYS HD2 H 1 1.582 0.015 . 2 . . . . 45 LYS HD1 . 15407 1
535 . 1 1 45 45 LYS HD3 H 1 1.582 0.015 . 2 . . . . 45 LYS HD2 . 15407 1
536 . 1 1 45 45 LYS HE2 H 1 2.857 0.015 . 2 . . . . 45 LYS HE1 . 15407 1
537 . 1 1 45 45 LYS HE3 H 1 2.857 0.015 . 2 . . . . 45 LYS HE2 . 15407 1
538 . 1 1 45 45 LYS HG2 H 1 1.300 0.015 . 2 . . . . 45 LYS HG1 . 15407 1
539 . 1 1 45 45 LYS HG3 H 1 1.222 0.015 . 2 . . . . 45 LYS HG2 . 15407 1
540 . 1 1 45 45 LYS C C 13 176.287 0.05 . 1 . . . . 45 LYS C . 15407 1
541 . 1 1 45 45 LYS CA C 13 54.996 0.05 . 1 . . . . 45 LYS CA . 15407 1
542 . 1 1 45 45 LYS CB C 13 35.677 0.05 . 1 . . . . 45 LYS CB . 15407 1
543 . 1 1 45 45 LYS CD C 13 29.563 0.05 . 1 . . . . 45 LYS CD . 15407 1
544 . 1 1 45 45 LYS CE C 13 41.915 0.05 . 1 . . . . 45 LYS CE . 15407 1
545 . 1 1 45 45 LYS CG C 13 25.747 0.05 . 1 . . . . 45 LYS CG . 15407 1
546 . 1 1 45 45 LYS N N 15 118.287 0.05 . 1 . . . . 45 LYS N . 15407 1
547 . 1 1 46 46 GLY H H 1 9.568 0.015 . 1 . . . . 46 GLY HN . 15407 1
548 . 1 1 46 46 GLY HA2 H 1 5.137 0.015 . 2 . . . . 46 GLY HA1 . 15407 1
549 . 1 1 46 46 GLY HA3 H 1 3.764 0.015 . 2 . . . . 46 GLY HA2 . 15407 1
550 . 1 1 46 46 GLY C C 13 169.537 0.05 . 1 . . . . 46 GLY C . 15407 1
551 . 1 1 46 46 GLY CA C 13 45.375 0.05 . 1 . . . . 46 GLY CA . 15407 1
552 . 1 1 46 46 GLY N N 15 113.951 0.05 . 1 . . . . 46 GLY N . 15407 1
553 . 1 1 47 47 GLU H H 1 8.948 0.015 . 1 . . . . 47 GLU HN . 15407 1
554 . 1 1 47 47 GLU HA H 1 5.630 0.015 . 1 . . . . 47 GLU HA . 15407 1
555 . 1 1 47 47 GLU HB2 H 1 2.112 0.015 . 2 . . . . 47 GLU HB1 . 15407 1
556 . 1 1 47 47 GLU HB3 H 1 1.884 0.015 . 2 . . . . 47 GLU HB2 . 15407 1
557 . 1 1 47 47 GLU HG2 H 1 2.376 0.015 . 2 . . . . 47 GLU HG1 . 15407 1
558 . 1 1 47 47 GLU HG3 H 1 2.376 0.015 . 2 . . . . 47 GLU HG2 . 15407 1
559 . 1 1 47 47 GLU C C 13 173.957 0.05 . 1 . . . . 47 GLU C . 15407 1
560 . 1 1 47 47 GLU CA C 13 54.121 0.05 . 1 . . . . 47 GLU CA . 15407 1
561 . 1 1 47 47 GLU CB C 13 31.931 0.05 . 1 . . . . 47 GLU CB . 15407 1
562 . 1 1 47 47 GLU CG C 13 32.787 0.05 . 1 . . . . 47 GLU CG . 15407 1
563 . 1 1 47 47 GLU N N 15 119.299 0.05 . 1 . . . . 47 GLU N . 15407 1
564 . 1 1 48 48 LEU H H 1 9.076 0.015 . 1 . . . . 48 LEU HN . 15407 1
565 . 1 1 48 48 LEU HA H 1 4.746 0.015 . 1 . . . . 48 LEU HA . 15407 1
566 . 1 1 48 48 LEU HB2 H 1 1.859 0.015 . 2 . . . . 48 LEU HB1 . 15407 1
567 . 1 1 48 48 LEU HB3 H 1 1.416 0.015 . 2 . . . . 48 LEU HB2 . 15407 1
568 . 1 1 48 48 LEU HD11 H 1 0.980 0.015 . 2 . . . . 48 LEU HD11 . 15407 1
569 . 1 1 48 48 LEU HD12 H 1 0.980 0.015 . 2 . . . . 48 LEU HD11 . 15407 1
570 . 1 1 48 48 LEU HD13 H 1 0.980 0.015 . 2 . . . . 48 LEU HD11 . 15407 1
571 . 1 1 48 48 LEU HD21 H 1 0.981 0.015 . 2 . . . . 48 LEU HD21 . 15407 1
572 . 1 1 48 48 LEU HD22 H 1 0.981 0.015 . 2 . . . . 48 LEU HD21 . 15407 1
573 . 1 1 48 48 LEU HD23 H 1 0.981 0.015 . 2 . . . . 48 LEU HD21 . 15407 1
574 . 1 1 48 48 LEU HG H 1 1.558 0.015 . 1 . . . . 48 LEU HG . 15407 1
575 . 1 1 48 48 LEU C C 13 175.823 0.05 . 1 . . . . 48 LEU C . 15407 1
576 . 1 1 48 48 LEU CA C 13 54.612 0.05 . 1 . . . . 48 LEU CA . 15407 1
577 . 1 1 48 48 LEU CB C 13 46.348 0.05 . 1 . . . . 48 LEU CB . 15407 1
578 . 1 1 48 48 LEU CD1 C 13 26.700 0.05 . 1 . . . . 48 LEU CD1 . 15407 1
579 . 1 1 48 48 LEU CD2 C 13 22.891 0.05 . 1 . . . . 48 LEU CD2 . 15407 1
580 . 1 1 48 48 LEU CG C 13 27.537 0.05 . 1 . . . . 48 LEU CG . 15407 1
581 . 1 1 48 48 LEU N N 15 127.393 0.05 . 1 . . . . 48 LEU N . 15407 1
582 . 1 1 49 49 ASN H H 1 9.915 0.015 . 1 . . . . 49 ASN HN . 15407 1
583 . 1 1 49 49 ASN HA H 1 4.513 0.015 . 1 . . . . 49 ASN HA . 15407 1
584 . 1 1 49 49 ASN HB2 H 1 3.164 0.015 . 2 . . . . 49 ASN HB1 . 15407 1
585 . 1 1 49 49 ASN HB3 H 1 2.830 0.015 . 2 . . . . 49 ASN HB2 . 15407 1
586 . 1 1 49 49 ASN HD21 H 1 7.747 0.015 . 2 . . . . 49 ASN HD21 . 15407 1
587 . 1 1 49 49 ASN HD22 H 1 6.981 0.015 . 2 . . . . 49 ASN HD22 . 15407 1
588 . 1 1 49 49 ASN C C 13 174.976 0.05 . 1 . . . . 49 ASN C . 15407 1
589 . 1 1 49 49 ASN CA C 13 54.427 0.05 . 1 . . . . 49 ASN CA . 15407 1
590 . 1 1 49 49 ASN CB C 13 37.611 0.05 . 1 . . . . 49 ASN CB . 15407 1
591 . 1 1 49 49 ASN N N 15 127.971 0.05 . 1 . . . . 49 ASN N . 15407 1
592 . 1 1 49 49 ASN ND2 N 15 112.795 0.05 . 1 . . . . 49 ASN ND2 . 15407 1
593 . 1 1 50 50 GLY H H 1 8.674 0.015 . 1 . . . . 50 GLY HN . 15407 1
594 . 1 1 50 50 GLY HA2 H 1 4.227 0.015 . 2 . . . . 50 GLY HA1 . 15407 1
595 . 1 1 50 50 GLY HA3 H 1 3.729 0.015 . 2 . . . . 50 GLY HA2 . 15407 1
596 . 1 1 50 50 GLY C C 13 173.657 0.05 . 1 . . . . 50 GLY C . 15407 1
597 . 1 1 50 50 GLY CA C 13 45.624 0.05 . 1 . . . . 50 GLY CA . 15407 1
598 . 1 1 50 50 GLY N N 15 103.689 0.05 . 1 . . . . 50 GLY N . 15407 1
599 . 1 1 51 51 LYS H H 1 7.842 0.015 . 1 . . . . 51 LYS HN . 15407 1
600 . 1 1 51 51 LYS HA H 1 4.728 0.015 . 1 . . . . 51 LYS HA . 15407 1
601 . 1 1 51 51 LYS HB2 H 1 1.930 0.015 . 2 . . . . 51 LYS HB1 . 15407 1
602 . 1 1 51 51 LYS HB3 H 1 1.930 0.015 . 2 . . . . 51 LYS HB2 . 15407 1
603 . 1 1 51 51 LYS HD2 H 1 1.871 0.015 . 2 . . . . 51 LYS HD1 . 15407 1
604 . 1 1 51 51 LYS HD3 H 1 1.871 0.015 . 2 . . . . 51 LYS HD2 . 15407 1
605 . 1 1 51 51 LYS HE2 H 1 3.160 0.015 . 2 . . . . 51 LYS HE1 . 15407 1
606 . 1 1 51 51 LYS HE3 H 1 3.160 0.015 . 2 . . . . 51 LYS HE2 . 15407 1
607 . 1 1 51 51 LYS HG2 H 1 1.539 0.015 . 2 . . . . 51 LYS HG1 . 15407 1
608 . 1 1 51 51 LYS HG3 H 1 1.436 0.015 . 2 . . . . 51 LYS HG2 . 15407 1
609 . 1 1 51 51 LYS C C 13 174.639 0.05 . 1 . . . . 51 LYS C . 15407 1
610 . 1 1 51 51 LYS CA C 13 54.696 0.05 . 1 . . . . 51 LYS CA . 15407 1
611 . 1 1 51 51 LYS CB C 13 34.720 0.05 . 1 . . . . 51 LYS CB . 15407 1
612 . 1 1 51 51 LYS CD C 13 29.059 0.05 . 1 . . . . 51 LYS CD . 15407 1
613 . 1 1 51 51 LYS CE C 13 42.792 0.05 . 1 . . . . 51 LYS CE . 15407 1
614 . 1 1 51 51 LYS CG C 13 25.135 0.05 . 1 . . . . 51 LYS CG . 15407 1
615 . 1 1 51 51 LYS N N 15 121.467 0.05 . 1 . . . . 51 LYS N . 15407 1
616 . 1 1 52 52 GLU H H 1 8.778 0.015 . 1 . . . . 52 GLU HN . 15407 1
617 . 1 1 52 52 GLU HA H 1 5.609 0.015 . 1 . . . . 52 GLU HA . 15407 1
618 . 1 1 52 52 GLU HB2 H 1 2.024 0.015 . 2 . . . . 52 GLU HB1 . 15407 1
619 . 1 1 52 52 GLU HB3 H 1 1.946 0.015 . 2 . . . . 52 GLU HB2 . 15407 1
620 . 1 1 52 52 GLU HG2 H 1 2.446 0.015 . 2 . . . . 52 GLU HG1 . 15407 1
621 . 1 1 52 52 GLU HG3 H 1 2.446 0.015 . 2 . . . . 52 GLU HG2 . 15407 1
622 . 1 1 52 52 GLU C C 13 176.068 0.05 . 1 . . . . 52 GLU C . 15407 1
623 . 1 1 52 52 GLU CA C 13 53.813 0.05 . 1 . . . . 52 GLU CA . 15407 1
624 . 1 1 52 52 GLU CB C 13 31.075 0.05 . 1 . . . . 52 GLU CB . 15407 1
625 . 1 1 52 52 GLU CG C 13 33.272 0.05 . 1 . . . . 52 GLU CG . 15407 1
626 . 1 1 52 52 GLU N N 15 121.611 0.05 . 1 . . . . 52 GLU N . 15407 1
627 . 1 1 53 53 GLY H H 1 8.888 0.015 . 1 . . . . 53 GLY HN . 15407 1
628 . 1 1 53 53 GLY HA2 H 1 4.413 0.015 . 2 . . . . 53 GLY HA1 . 15407 1
629 . 1 1 53 53 GLY HA3 H 1 3.961 0.015 . 2 . . . . 53 GLY HA2 . 15407 1
630 . 1 1 53 53 GLY C C 13 171.961 0.05 . 1 . . . . 53 GLY C . 15407 1
631 . 1 1 53 53 GLY CA C 13 45.661 0.05 . 1 . . . . 53 GLY CA . 15407 1
632 . 1 1 53 53 GLY N N 15 109.326 0.05 . 1 . . . . 53 GLY N . 15407 1
633 . 1 1 54 54 VAL H H 1 9.092 0.015 . 1 . . . . 54 VAL HN . 15407 1
634 . 1 1 54 54 VAL HA H 1 6.216 0.015 . 1 . . . . 54 VAL HA . 15407 1
635 . 1 1 54 54 VAL HB H 1 2.586 0.015 . 1 . . . . 54 VAL HB . 15407 1
636 . 1 1 54 54 VAL HG11 H 1 1.042 0.015 . 2 . . . . 54 VAL HG11 . 15407 1
637 . 1 1 54 54 VAL HG12 H 1 1.042 0.015 . 2 . . . . 54 VAL HG11 . 15407 1
638 . 1 1 54 54 VAL HG13 H 1 1.042 0.015 . 2 . . . . 54 VAL HG11 . 15407 1
639 . 1 1 54 54 VAL HG21 H 1 0.957 0.015 . 2 . . . . 54 VAL HG21 . 15407 1
640 . 1 1 54 54 VAL HG22 H 1 0.957 0.015 . 2 . . . . 54 VAL HG21 . 15407 1
641 . 1 1 54 54 VAL HG23 H 1 0.957 0.015 . 2 . . . . 54 VAL HG21 . 15407 1
642 . 1 1 54 54 VAL C C 13 176.649 0.05 . 1 . . . . 54 VAL C . 15407 1
643 . 1 1 54 54 VAL CA C 13 59.856 0.05 . 1 . . . . 54 VAL CA . 15407 1
644 . 1 1 54 54 VAL CB C 13 34.981 0.05 . 1 . . . . 54 VAL CB . 15407 1
645 . 1 1 54 54 VAL CG1 C 13 21.421 0.05 . 1 . . . . 54 VAL CG1 . 15407 1
646 . 1 1 54 54 VAL CG2 C 13 18.560 0.05 . 1 . . . . 54 VAL CG2 . 15407 1
647 . 1 1 54 54 VAL N N 15 112.650 0.05 . 1 . . . . 54 VAL N . 15407 1
648 . 1 1 55 55 PHE H H 1 8.939 0.015 . 1 . . . . 55 PHE HN . 15407 1
649 . 1 1 55 55 PHE HA H 1 5.021 0.015 . 1 . . . . 55 PHE HA . 15407 1
650 . 1 1 55 55 PHE HB2 H 1 3.269 0.015 . 2 . . . . 55 PHE HB1 . 15407 1
651 . 1 1 55 55 PHE HB3 H 1 2.553 0.015 . 2 . . . . 55 PHE HB2 . 15407 1
652 . 1 1 55 55 PHE HD1 H 1 7.018 0.015 . 1 . . . . 55 PHE HD1 . 15407 1
653 . 1 1 55 55 PHE HD2 H 1 7.018 0.015 . 1 . . . . 55 PHE HD2 . 15407 1
654 . 1 1 55 55 PHE HE1 H 1 6.885 0.015 . 1 . . . . 55 PHE HE1 . 15407 1
655 . 1 1 55 55 PHE HE2 H 1 6.885 0.015 . 1 . . . . 55 PHE HE2 . 15407 1
656 . 1 1 55 55 PHE HZ H 1 7.258 0.015 . 1 . . . . 55 PHE HZ . 15407 1
657 . 1 1 55 55 PHE CA C 13 55.077 0.05 . 1 . . . . 55 PHE CA . 15407 1
658 . 1 1 55 55 PHE CB C 13 38.807 0.05 . 1 . . . . 55 PHE CB . 15407 1
659 . 1 1 55 55 PHE CD1 C 13 133.916 0.05 . 3 . . . . 55 PHE CD1 . 15407 1
660 . 1 1 55 55 PHE CD2 C 13 133.916 0.05 . 3 . . . . 55 PHE CD2 . 15407 1
661 . 1 1 55 55 PHE CE1 C 13 129.495 0.05 . 3 . . . . 55 PHE CE1 . 15407 1
662 . 1 1 55 55 PHE CE2 C 13 129.495 0.05 . 3 . . . . 55 PHE CE2 . 15407 1
663 . 1 1 55 55 PHE CZ C 13 129.522 0.05 . 1 . . . . 55 PHE CZ . 15407 1
664 . 1 1 55 55 PHE N N 15 116.119 0.05 . 1 . . . . 55 PHE N . 15407 1
665 . 1 1 56 56 PRO HA H 1 3.297 0.015 . 1 . . . . 56 PRO HA . 15407 1
666 . 1 1 56 56 PRO HB2 H 1 1.396 0.015 . 2 . . . . 56 PRO HB1 . 15407 1
667 . 1 1 56 56 PRO HB3 H 1 1.105 0.015 . 2 . . . . 56 PRO HB2 . 15407 1
668 . 1 1 56 56 PRO HD2 H 1 2.442 0.015 . 2 . . . . 56 PRO HD2 . 15407 1
669 . 1 1 56 56 PRO HD3 H 1 2.164 0.015 . 2 . . . . 56 PRO HD3 . 15407 1
670 . 1 1 56 56 PRO HG2 H 1 0.846 0.015 . 2 . . . . 56 PRO HG2 . 15407 1
671 . 1 1 56 56 PRO HG3 H 1 0.175 0.015 . 2 . . . . 56 PRO HG3 . 15407 1
672 . 1 1 56 56 PRO C C 13 178.366 0.05 . 1 . . . . 56 PRO C . 15407 1
673 . 1 1 56 56 PRO CA C 13 61.377 0.05 . 1 . . . . 56 PRO CA . 15407 1
674 . 1 1 56 56 PRO CB C 13 30.487 0.05 . 1 . . . . 56 PRO CB . 15407 1
675 . 1 1 56 56 PRO CD C 13 49.64 0.05 . 1 . . . . 56 PRO CD . 15407 1
676 . 1 1 56 56 PRO CG C 13 27.102 0.05 . 1 . . . . 56 PRO CG . 15407 1
677 . 1 1 57 57 ASP H H 1 8.215 0.015 . 1 . . . . 57 ASP HN . 15407 1
678 . 1 1 57 57 ASP HA H 1 2.913 0.015 . 1 . . . . 57 ASP HA . 15407 1
679 . 1 1 57 57 ASP HB2 H 1 0.848 0.015 . 2 . . . . 57 ASP HB1 . 15407 1
680 . 1 1 57 57 ASP HB3 H 1 0.472 0.015 . 2 . . . . 57 ASP HB2 . 15407 1
681 . 1 1 57 57 ASP C C 13 174.753 0.05 . 1 . . . . 57 ASP C . 15407 1
682 . 1 1 57 57 ASP CA C 13 54.608 0.05 . 1 . . . . 57 ASP CA . 15407 1
683 . 1 1 57 57 ASP CB C 13 33.692 0.05 . 1 . . . . 57 ASP CB . 15407 1
684 . 1 1 57 57 ASP N N 15 121.467 0.05 . 1 . . . . 57 ASP N . 15407 1
685 . 1 1 58 58 ASN H H 1 8.091 0.015 . 1 . . . . 58 ASN HN . 15407 1
686 . 1 1 58 58 ASN HA H 1 4.541 0.015 . 1 . . . . 58 ASN HA . 15407 1
687 . 1 1 58 58 ASN HB2 H 1 2.779 0.015 . 2 . . . . 58 ASN HB1 . 15407 1
688 . 1 1 58 58 ASN HB3 H 1 2.548 0.015 . 2 . . . . 58 ASN HB2 . 15407 1
689 . 1 1 58 58 ASN HD21 H 1 7.426 0.015 . 2 . . . . 58 ASN HD21 . 15407 1
690 . 1 1 58 58 ASN HD22 H 1 6.496 0.015 . 2 . . . . 58 ASN HD22 . 15407 1
691 . 1 1 58 58 ASN C C 13 175.452 0.05 . 1 . . . . 58 ASN C . 15407 1
692 . 1 1 58 58 ASN CA C 13 53.372 0.05 . 1 . . . . 58 ASN CA . 15407 1
693 . 1 1 58 58 ASN CB C 13 36.177 0.05 . 1 . . . . 58 ASN CB . 15407 1
694 . 1 1 58 58 ASN N N 15 113.951 0.05 . 1 . . . . 58 ASN N . 15407 1
695 . 1 1 58 58 ASN ND2 N 15 112.800 0.05 . 1 . . . . 58 ASN ND2 . 15407 1
696 . 1 1 59 59 PHE H H 1 7.836 0.015 . 1 . . . . 59 PHE HN . 15407 1
697 . 1 1 59 59 PHE HA H 1 4.749 0.015 . 1 . . . . 59 PHE HA . 15407 1
698 . 1 1 59 59 PHE HB2 H 1 3.815 0.015 . 2 . . . . 59 PHE HB1 . 15407 1
699 . 1 1 59 59 PHE HB3 H 1 3.313 0.015 . 2 . . . . 59 PHE HB2 . 15407 1
700 . 1 1 59 59 PHE HD1 H 1 7.228 0.015 . 1 . . . . 59 PHE HD1 . 15407 1
701 . 1 1 59 59 PHE HD2 H 1 7.228 0.015 . 1 . . . . 59 PHE HD2 . 15407 1
702 . 1 1 59 59 PHE HE1 H 1 7.397 0.015 . 1 . . . . 59 PHE HE1 . 15407 1
703 . 1 1 59 59 PHE HE2 H 1 7.397 0.015 . 1 . . . . 59 PHE HE2 . 15407 1
704 . 1 1 59 59 PHE HZ H 1 7.306 0.015 . 1 . . . . 59 PHE HZ . 15407 1
705 . 1 1 59 59 PHE C C 13 174.170 0.05 . 1 . . . . 59 PHE C . 15407 1
706 . 1 1 59 59 PHE CA C 13 57.853 0.05 . 1 . . . . 59 PHE CA . 15407 1
707 . 1 1 59 59 PHE CB C 13 38.326 0.05 . 1 . . . . 59 PHE CB . 15407 1
708 . 1 1 59 59 PHE CD1 C 13 130.884 0.05 . 3 . . . . 59 PHE CD1 . 15407 1
709 . 1 1 59 59 PHE CD2 C 13 130.884 0.05 . 3 . . . . 59 PHE CD2 . 15407 1
710 . 1 1 59 59 PHE CE1 C 13 131.791 0.05 . 3 . . . . 59 PHE CE1 . 15407 1
711 . 1 1 59 59 PHE CE2 C 13 131.791 0.05 . 3 . . . . 59 PHE CE2 . 15407 1
712 . 1 1 59 59 PHE CZ C 13 130.073 0.05 . 1 . . . . 59 PHE CZ . 15407 1
713 . 1 1 59 59 PHE N N 15 118.432 0.05 . 1 . . . . 59 PHE N . 15407 1
714 . 1 1 60 60 ALA H H 1 7.798 0.015 . 1 . . . . 60 ALA HN . 15407 1
715 . 1 1 60 60 ALA HA H 1 5.165 0.015 . 1 . . . . 60 ALA HA . 15407 1
716 . 1 1 60 60 ALA HB1 H 1 1.150 0.015 . 1 . . . . 60 ALA HB1 . 15407 1
717 . 1 1 60 60 ALA HB2 H 1 1.150 0.015 . 1 . . . . 60 ALA HB1 . 15407 1
718 . 1 1 60 60 ALA HB3 H 1 1.150 0.015 . 1 . . . . 60 ALA HB1 . 15407 1
719 . 1 1 60 60 ALA C C 13 173.497 0.05 . 1 . . . . 60 ALA C . 15407 1
720 . 1 1 60 60 ALA CA C 13 51.025 0.05 . 1 . . . . 60 ALA CA . 15407 1
721 . 1 1 60 60 ALA CB C 13 24.402 0.05 . 1 . . . . 60 ALA CB . 15407 1
722 . 1 1 60 60 ALA N N 15 122.045 0.05 . 1 . . . . 60 ALA N . 15407 1
723 . 1 1 61 61 VAL H H 1 8.499 0.015 . 1 . . . . 61 VAL HN . 15407 1
724 . 1 1 61 61 VAL HA H 1 4.787 0.015 . 1 . . . . 61 VAL HA . 15407 1
725 . 1 1 61 61 VAL HB H 1 2.036 0.015 . 1 . . . . 61 VAL HB . 15407 1
726 . 1 1 61 61 VAL HG11 H 1 1.065 0.015 . 2 . . . . 61 VAL HG11 . 15407 1
727 . 1 1 61 61 VAL HG12 H 1 1.065 0.015 . 2 . . . . 61 VAL HG11 . 15407 1
728 . 1 1 61 61 VAL HG13 H 1 1.065 0.015 . 2 . . . . 61 VAL HG11 . 15407 1
729 . 1 1 61 61 VAL HG21 H 1 0.978 0.015 . 2 . . . . 61 VAL HG21 . 15407 1
730 . 1 1 61 61 VAL HG22 H 1 0.978 0.015 . 2 . . . . 61 VAL HG21 . 15407 1
731 . 1 1 61 61 VAL HG23 H 1 0.978 0.015 . 2 . . . . 61 VAL HG21 . 15407 1
732 . 1 1 61 61 VAL C C 13 174.889 0.05 . 1 . . . . 61 VAL C . 15407 1
733 . 1 1 61 61 VAL CA C 13 59.209 0.05 . 1 . . . . 61 VAL CA . 15407 1
734 . 1 1 61 61 VAL CB C 13 35.437 0.05 . 1 . . . . 61 VAL CB . 15407 1
735 . 1 1 61 61 VAL CG1 C 13 20.626 0.05 . 1 . . . . 61 VAL CG1 . 15407 1
736 . 1 1 61 61 VAL CG2 C 13 20.116 0.05 . 1 . . . . 61 VAL CG2 . 15407 1
737 . 1 1 61 61 VAL N N 15 114.529 0.05 . 1 . . . . 61 VAL N . 15407 1
738 . 1 1 62 62 GLN H H 1 9.361 0.015 . 1 . . . . 62 GLN HN . 15407 1
739 . 1 1 62 62 GLN HA H 1 4.550 0.015 . 1 . . . . 62 GLN HA . 15407 1
740 . 1 1 62 62 GLN HB2 H 1 2.132 0.015 . 2 . . . . 62 GLN HB1 . 15407 1
741 . 1 1 62 62 GLN HB3 H 1 2.050 0.015 . 2 . . . . 62 GLN HB2 . 15407 1
742 . 1 1 62 62 GLN HE21 H 1 7.628 0.015 . 2 . . . . 62 GLN HE21 . 15407 1
743 . 1 1 62 62 GLN HE22 H 1 6.825 0.015 . 2 . . . . 62 GLN HE22 . 15407 1
744 . 1 1 62 62 GLN HG2 H 1 2.493 0.015 . 2 . . . . 62 GLN HG1 . 15407 1
745 . 1 1 62 62 GLN HG3 H 1 2.413 0.015 . 2 . . . . 62 GLN HG2 . 15407 1
746 . 1 1 62 62 GLN C C 13 175.872 0.05 . 1 . . . . 62 GLN C . 15407 1
747 . 1 1 62 62 GLN CA C 13 57.890 0.05 . 1 . . . . 62 GLN CA . 15407 1
748 . 1 1 62 62 GLN CB C 13 29.142 0.05 . 1 . . . . 62 GLN CB . 15407 1
749 . 1 1 62 62 GLN CG C 13 34.414 0.05 . 1 . . . . 62 GLN CG . 15407 1
750 . 1 1 62 62 GLN N N 15 127.971 0.05 . 1 . . . . 62 GLN N . 15407 1
751 . 1 1 62 62 GLN NE2 N 15 110.624 0.05 . 1 . . . . 62 GLN NE2 . 15407 1
752 . 1 1 63 63 ILE H H 1 8.450 0.015 . 1 . . . . 63 ILE HN . 15407 1
753 . 1 1 63 63 ILE HA H 1 4.547 0.015 . 1 . . . . 63 ILE HA . 15407 1
754 . 1 1 63 63 ILE HB H 1 1.968 0.015 . 1 . . . . 63 ILE HB . 15407 1
755 . 1 1 63 63 ILE HD11 H 1 0.876 0.015 . 1 . . . . 63 ILE HD11 . 15407 1
756 . 1 1 63 63 ILE HD12 H 1 0.876 0.015 . 1 . . . . 63 ILE HD11 . 15407 1
757 . 1 1 63 63 ILE HD13 H 1 0.876 0.015 . 1 . . . . 63 ILE HD11 . 15407 1
758 . 1 1 63 63 ILE HG12 H 1 0.879 0.015 . 1 . . . . 63 ILE HG11 . 15407 1
759 . 1 1 63 63 ILE HG13 H 1 1.479 0.015 . 1 . . . . 63 ILE HG12 . 15407 1
760 . 1 1 63 63 ILE HG21 H 1 0.967 0.015 . 1 . . . . 63 ILE HG21 . 15407 1
761 . 1 1 63 63 ILE HG22 H 1 0.967 0.015 . 1 . . . . 63 ILE HG21 . 15407 1
762 . 1 1 63 63 ILE HG23 H 1 0.967 0.015 . 1 . . . . 63 ILE HG21 . 15407 1
763 . 1 1 63 63 ILE C C 13 175.517 0.05 . 1 . . . . 63 ILE C . 15407 1
764 . 1 1 63 63 ILE CA C 13 60.758 0.05 . 1 . . . . 63 ILE CA . 15407 1
765 . 1 1 63 63 ILE CB C 13 40.152 0.05 . 1 . . . . 63 ILE CB . 15407 1
766 . 1 1 63 63 ILE CD1 C 13 14.047 0.05 . 1 . . . . 63 ILE CD1 . 15407 1
767 . 1 1 63 63 ILE CG1 C 13 26.981 0.05 . 1 . . . . 63 ILE CG1 . 15407 1
768 . 1 1 63 63 ILE CG2 C 13 18.147 0.05 . 1 . . . . 63 ILE CG2 . 15407 1
769 . 1 1 63 63 ILE N N 15 122.623 0.05 . 1 . . . . 63 ILE N . 15407 1
770 . 1 1 64 64 SER H H 1 8.479 0.015 . 1 . . . . 64 SER HN . 15407 1
771 . 1 1 64 64 SER HA H 1 4.604 0.015 . 1 . . . . 64 SER HA . 15407 1
772 . 1 1 64 64 SER HB2 H 1 4.038 0.015 . 2 . . . . 64 SER HB1 . 15407 1
773 . 1 1 64 64 SER HB3 H 1 3.951 0.015 . 2 . . . . 64 SER HB2 . 15407 1
774 . 1 1 64 64 SER CA C 13 58.219 0.05 . 1 . . . . 64 SER CA . 15407 1
775 . 1 1 64 64 SER CB C 13 64.004 0.05 . 1 . . . . 64 SER CB . 15407 1
776 . 1 1 64 64 SER N N 15 120.166 0.05 . 1 . . . . 64 SER N . 15407 1
stop_
save_